*HEADER    BLOOD CLOTTING                          19-FEB-99   1F7E              
*TITLE     THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII,          
*TITLE    2 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 (RESIDUES 45-87);                    
*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                        
*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 1F7E    0                                                
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_67.11  S_AQ    

assign (resid    1 and  name HB#  )(resid    1 and  name HG#  ) 5.0 3.2 1.0 ! A_       N_N1162  V_30.21  S_Q1    

assign (resid    2 and  name HA   )(resid    2 and  name HB#  ) 2.7 0.9 0.0 ! A_r      N_N1375  V_56.5   S_AQ    

assign (resid    2 and  name HB#  )(resid   21 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N1376  V_9.538  S_Q1    

assign (resid    2 and  name HB#  )(resid   21 and  name HD2# ) 6.0 4.2 0.5 ! A_r      N_N1378  V_2.005  S_Q2    

assign (resid    5 and  name HA   )(resid    5 and  name HB#  ) 2.7 0.9 0.0 ! A_       N_N1018  V_55.98  S_AQ    

assign (resid    5 and  name HA   )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1212  V_12.27  S_AP    

assign (resid    5 and  name HB#  )(resid    5 and  name HG#  ) 5.0 3.2 0.0 ! A_o      N_N1020  V_265.2  S_QQ    

assign (resid    5 and  name HB#  )(resid    6 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N624   V_22.35  S_QA    

assign (resid    5 and  name HB#  )(resid   23 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1104  V_4.757  S_QA    

assign (resid    5 and  name HB#  )(resid   24 and  name HB1  ) 5.0 3.2 0.0 ! A_r      N_N1065  V_18.97  S_Q1    

assign (resid    5 and  name HB#  )(resid   24 and  name HB2  ) 5.0 3.2 0.0 ! A_lr     N_N1066  V_33.15  S_Q2    

assign (resid    5 and  name HB#  )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1218  V_55.17  S_QP    

assign (resid    5 and  name HB#  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N961   V_22.87  S_QP    

assign (resid    5 and  name HE21 )(resid    5 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N1299  V_16.06  S_aQ    

assign (resid    5 and  name HE21 )(resid    5 and  name HG#  ) 3.3 1.5 0.0 ! A_       N_N1298  V_51.03  S_aQ    

assign (resid    5 and  name HE22 )(resid    5 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N974   V_22     S_aQ    

assign (resid    5 and  name HG#  )(resid   23 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1103  V_16.17  S_QA    

assign (resid    5 and  name HG#  )(resid   23 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N813   V_4.435  S_QA    

assign (resid    5 and  name HG#  )(resid   24 and  name HB#  ) 5.0 3.2 1.0 ! A_       N_N1069  V_5.066  S_Q2    

assign (resid    5 and  name HG#  )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1217  V_18.53  S_QP    

assign (resid    5 and  name HG#  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N963   V_36.47  S_QP    

assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 3.3 1.5 0.0 ! A_       N_N7     V_39.46  S_AQ    

assign (resid    5 and  name HN   )(resid    5 and  name HG#  ) 5.0 3.2 0.0 ! A_       N_N5     V_15.86  S_AQ    

assign (resid    9 and  name HA   )(resid    9 and  name HB#  ) 2.7 0.9 0.0 ! A_       N_N996   V_105.2  S_AQ    

assign (resid    9 and  name HB#  )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_       N_N1016  V_10.77  S_Q1    

assign (resid    9 and  name HB#  )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_       N_N1341  V_7.249  S_Q2    

assign (resid    9 and  name HB#  )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N844   V_3.168  S_QA    

assign (resid   10 and  name HB#  )(resid   24 and  name HD#  ) 5.0 3.2 1.0 ! A_r      N_N965   V_5.828  S_2P    

assign (resid   10 and  name HB#  )(resid   24 and  name HE#  ) 5.0 3.2 1.0 ! A_lr     N_N1222  V_15.62  S_2P    

assign (resid   10 and  name HG1  )(resid   24 and  name HD#  ) 6.0 4.2 0.0 ! A_r      N_N968   V_7.446  S_1P    

assign (resid   10 and  name HG2  )(resid   24 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N969   V_7.798  S_2P    

assign (resid   10 and  name HG1  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_r      N_N1223  V_9.128  S_1P    

assign (resid   10 and  name HG2  )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1224  V_10.23  S_2P    

assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 5.0 3.2 0.0 ! A_l      N_N80    V_22.34  S_AQ    

assign (resid   12 and  name HB#  )(resid   12 and  name HG#  ) 2.7 0.9 1.0 ! A_       N_N327   V_52.37  S_Q1    

assign (resid   12 and  name HB#  )(resid   13 and  name HD21 ) 6.0 4.2 0.0 ! A_lr     N_N791   V_13.57  S_Qa    

assign (resid   12 and  name HB#  )(resid   13 and  name HD22 ) 6.0 4.2 0.0 ! A_lr     N_N906   V_9.473  S_Qa    

assign (resid   12 and  name HB#  )(resid   38 and  name HA   ) 5.0 3.2 0.0 ! A_lr     N_N1032  V_39.62  S_QA    

assign (resid   13 and  name HB1  )(resid   32 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N935   V_29.74  S_RP    

assign (resid   13 and  name HB1  )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N922   V_13.91  S_RP    

assign (resid   13 and  name HB2  )(resid   32 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N1184  V_33.45  S_SP    

assign (resid   13 and  name HB2  )(resid   32 and  name HE#  ) 5.0 3.2 0.0 ! A_or     N_N1186  V_36.06  S_SP    

assign (resid   13 and  name HD21 )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N1283  V_15.82  S_aP    

assign (resid   13 and  name HD21 )(resid   32 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N799   V_6.352  S_aP    

assign (resid   13 and  name HD22 )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_o      N_N909   V_158    S_aP    

assign (resid   16 and  name HA   )(resid   16 and  name HB#  ) 3.3 1.5 0.0 ! A_lr     N_N111   V_61.07  S_AQ    

assign (resid   16 and  name HB#  )(resid   17 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N689   V_21.22  S_QA    

assign (resid   16 and  name HB#  )(resid   27 and  name HB1  ) 5.0 3.2 0.0 ! A_lr     N_N1095  V_19.77  S_QS    

assign (resid   16 and  name HB#  )(resid   27 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N1013  V_32.57  S_QR    

assign (resid   16 and  name HB#  )(resid   27 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N889   V_9.607  S_QP    

assign (resid   16 and  name HB#  )(resid   27 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N594   V_5.748  S_QA    

assign (resid   18 and  name HB1  )(resid   18 and  name HG#  ) 5.0 3.2 0.0 ! A_or     N_N144   V_53.07  S_1Q    

assign (resid   18 and  name HB2  )(resid   18 and  name HG#  ) 5.0 3.2 0.0 ! A_or     N_N143   V_45.8   S_2Q    

assign (resid   18 and  name HB1  )(resid   27 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N893   V_20.84  S_1P    

assign (resid   18 and  name HB2  )(resid   27 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N894   V_32.94  S_2P    

assign (resid   18 and  name HB1  )(resid   27 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1200  V_20.84  S_1P    

assign (resid   18 and  name HB2  )(resid   27 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1201  V_32.94  S_2P    

assign (resid   18 and  name HD#  )(resid   18 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N136   V_6.717  S_QQ    

assign (resid   18 and  name HD#  )(resid   19 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N704   V_4.829  S_QA    

assign (resid   18 and  name HD#  )(resid   27 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N895   V_22.83  S_QP    

assign (resid   18 and  name HD#  )(resid   27 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N1202  V_23.01  S_QA    

assign (resid   18 and  name HG#  )(resid   18 and  name HD#  ) 2.7 0.9 0.0 ! A_       N_N142   V_218.2  S_QQ    

assign (resid   18 and  name HG#  )(resid   27 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N896   V_20.51  S_QP    

assign (resid   18 and  name HG#  )(resid   27 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N1203  V_20.51  S_QA    

assign (resid   18 and  name HN   )(resid   24 and  name HD#  ) 6.0 4.2 0.0 ! A_       N_N613   V_2.999  S_AP    

assign (resid   20 and  name HA   )(resid   20 and  name HG#  ) 3.3 1.5 0.0 ! A_r      N_N162   V_46.94  S_AQ    

assign (resid   20 and  name HB2  )(resid   20 and  name HG#  ) 2.7 0.9 0.0 ! A_       N_N165   V_80.63  S_RQ    

assign (resid   20 and  name HG#  )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N987   V_16.39  S_QA    

assign (resid   20 and  name HG#  )(resid   25 and  name HB   ) 5.0 3.2 0.0 ! A_       N_N1365  V_11.82  S_QA    

assign (resid   20 and  name HG#  )(resid   25 and  name HD1# ) 5.0 3.2 0.5 ! A_       N_N1126  V_13.39  S_Qm    

assign (resid   20 and  name HG#  )(resid   25 and  name HG11 ) 5.0 3.2 0.0 ! A_       N_N1366  V_10.23  S_Q1    

assign (resid   20 and  name HG#  )(resid   25 and  name HG12 ) 5.0 3.2 0.0 ! A_       N_N1367  V_6.049  S_Q2    

assign (resid   20 and  name HG#  )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_r      N_N1121  V_11.02  S_Qm    

assign (resid   20 and  name HG#  )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N660   V_7.874  S_QA    

assign (resid   20 and  name HN   )(resid   20 and  name HG#  ) 5.0 3.2 0.0 ! A_       N_N157   V_14.87  S_AQ    

assign (resid   22 and  name HA   )(resid   22 and  name HB#  ) 5.0 3.2 0.0 ! A_l      N_N1345  V_29.21  S_AQ    

assign (resid   22 and  name HA   )(resid   22 and  name HG#  ) 3.3 1.5 0.0 ! A_l      N_N1346  V_73.16  S_AQ    

assign (resid   23 and  name HA   )(resid   23 and  name HB#  ) 2.7 0.9 0.0 ! A_r      N_N218   V_57.74  S_AQ    

assign (resid   23 and  name HA   )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N953   V_11.43  S_AP    

assign (resid   23 and  name HA   )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_or     N_N1209  V_3.724  S_AP    

assign (resid   23 and  name HB#  )(resid   23 and  name HG#  ) 5.0 3.2 1.0 ! A_o      N_N1160  V_104.8  S_Q1    

assign (resid   24 and  name HD#  )(resid   24 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N959   V_55.91  S_P2    

assign (resid   24 and  name HD#  )(resid   24 and  name HB1  ) 5.0 3.2 0.0 ! A_o      N_N1214  V_65     S_P1    

assign (resid   24 and  name HD#  )(resid   25 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N955   V_10.13  S_PA    

assign (resid   24 and  name HD#  )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1320  V_10.3   S_PA    

assign (resid   24 and  name HD#  )(resid   26 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N951   V_2.07   S_PA    

assign (resid   24 and  name HD#  )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1318  V_4.613  S_PA    

assign (resid   24 and  name HD#  )(resid   35 and  name HG#  ) 6.0 4.2 0.0 ! A_o      N_N967   V_4.37   S_PQ    

assign (resid   24 and  name HD#  )(resid   36 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N1208  V_0.8091 S_PA    

assign (resid   24 and  name HE#  )(resid   24 and  name HB2  ) 6.0 4.2 0.0 ! A_       N_N1215  V_23.8   S_P2    

assign (resid   24 and  name HE#  )(resid   24 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N958   V_20.49  S_P1    

assign (resid   24 and  name HE#  )(resid   25 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N1211  V_3.877  S_PA   *M 5.5/6.5

assign (resid   24 and  name HE#  )(resid   25 and  name HN   ) 6.0 4.2 0.0 ! A_       N_N1321  V_4.196  S_PA   *M 5.5/6.5  

assign (resid   24 and  name HE#  )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1319  V_3.94   S_PA    

assign (resid   24 and  name HE#  )(resid   35 and  name HG#  ) 6.0 4.2 0.0 ! A_o      N_N1220  V_12.34  S_PQ    

assign (resid   24 and  name HE#  )(resid   36 and  name HA   ) 6.0 4.2 0.0 ! A_o      N_N949   V_8.692  S_PA    

assign (resid   24 and  name HN   )(resid   24 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N771   V_16.7   S_AP    

assign (resid   24 and  name HN   )(resid   24 and  name HE#  ) 6.0 4.2 0.0 ! A_r      N_N1317  V_6.644  S_AP   *M 5.5/6.5 

assign (resid   25 and  name HD1# )(resid   27 and  name HD#  ) 6.0 4.2 0.5 ! A_or     N_N899   V_20.77  S_mP    

assign (resid   25 and  name HD1# )(resid   27 and  name HE#  ) 6.0 4.2 0.5 ! A_or     N_N1204  V_20.4   S_mP    

assign (resid   25 and  name HG2# )(resid   27 and  name HD#  ) 6.0 4.2 0.5 ! A_or     N_N898   V_20.77  S_mP    

assign (resid   25 and  name HG2# )(resid   27 and  name HE#  ) 6.0 4.2 0.5 ! A_or     N_N1205  V_20.28  S_mP    

assign (resid   27 and  name HD#  )(resid   27 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N891   V_19.32  S_PS    

assign (resid   27 and  name HD#  )(resid   27 and  name HB2  ) 6.0 4.2 0.0 ! A_o      N_N892   V_29.09  S_PR    

assign (resid   27 and  name HE#  )(resid   27 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N1198  V_19.32  S_PS    

assign (resid   27 and  name HE#  )(resid   27 and  name HB2  ) 5.0 3.2 0.0 ! A_l      N_N1199  V_28.55  S_PR    

assign (resid   27 and  name HN   )(resid   27 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N599   V_15.78  S_AP    

assign (resid   28 and  name HB1  )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N929   V_5.532  S_RP    

assign (resid   29 and  name HA   )(resid   29 and  name HB#  ) 5.0 3.2 0.0 ! A_or     N_N319   V_55.38  S_AQ    

assign (resid   29 and  name HB#  )(resid   29 and  name HG   ) 5.0 3.2 0.0 ! A_o      N_N1364  V_528.3  S_QA    

assign (resid   29 and  name HB#  )(resid   31 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N854   V_12.71  S_QA    

assign (resid   29 and  name HB#  )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N934   V_19.34  S_QP    

assign (resid   29 and  name HB#  )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_r      N_N921   V_4.36   S_QP    

assign (resid   29 and  name HB#  )(resid   32 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N913   V_2.919  S_QA    

assign (resid   29 and  name HD2# )(resid   32 and  name HD#  ) 6.0 4.2 0.5 ! A_or     N_N1185  V_21.07  S_2P    

assign (resid   29 and  name HD1# )(resid   32 and  name HD#  ) 6.0 4.2 0.5 ! A_r      N_N937   V_6.296  S_1P    

assign (resid   29 and  name HD*  )(resid   32 and  name HE#  ) 6.0 4.2 2.5 ! A_lr     N_N925   V_8.668  S_1P    

assign (resid   29 and  name HG   )(resid   32 and  name HD#  ) 6.0 4.2 0.0 ! A_or     N_N936   V_65.36  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_19.8   S_AP    

assign (resid   29 and  name HN   )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N744   V_12.19  S_AP    

assign (resid   31 and  name HB#  )(resid   32 and  name HD#  ) 6.0 4.2 0.5 ! A_or     N_N938   V_35.27  S_mP    

assign (resid   31 and  name HB#  )(resid   32 and  name HE#  ) 6.0 4.2 0.5 ! A_or     N_N924   V_37.07  S_mP    

assign (resid   31 and  name HN   )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N855   V_9.84   S_AP    

assign (resid   31 and  name HN   )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_       N_N1306  V_2.304  S_AP    

assign (resid   32 and  name HA   )(resid   33 and  name HB#  ) 5.0 3.2 0.0 ! A_       N_N994   V_4.747  S_AQ    

assign (resid   32 and  name HD#  )(resid   32 and  name HB1  ) 5.0 3.2 0.0 ! A_o      N_N932   V_64.64  S_PS    

assign (resid   32 and  name HD#  )(resid   32 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N933   V_53.36  S_PR   *M 2.7/3.3 

assign (resid   32 and  name HD#  )(resid   33 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1327  V_10.32  S_PA    

assign (resid   32 and  name HD#  )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N725   V_3.649  S_PA    

assign (resid   32 and  name HD#  )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N928   V_32.39  S_PA    

assign (resid   32 and  name HD#  )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N931   V_30.09  S_PQ    

assign (resid   32 and  name HD#  )(resid   40 and  name HE1  ) 6.0 4.2 0.0 ! A_r      N_N1259  V_0.8942 S_PA    

assign (resid   32 and  name HD#  )(resid   41 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1322  V_5.608  S_PA    

assign (resid   32 and  name HE#  )(resid   32 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N919   V_17.72  S_PS    

assign (resid   32 and  name HE#  )(resid   32 and  name HB2  ) 6.0 4.2 0.0 ! A_       N_N920   V_6.963  S_PR   *M 5.0/6.0 

assign (resid   32 and  name HE#  )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N917   V_7.876  S_PA    

assign (resid   32 and  name HE#  )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_l      N_N918   V_26.61  S_PQ    

assign (resid   32 and  name HE#  )(resid   40 and  name HE1  ) 5.0 3.2 0.0 ! A_r      N_N1257  V_3.388  S_PA    

assign (resid   32 and  name HN   )(resid   32 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N785   V_22.95  S_AP    

assign (resid   32 and  name HN   )(resid   32 and  name HE#  ) 6.0 4.2 0.0 ! A_r      N_N1284  V_3.17   S_AP    *M 5.5/6.5

assign (resid   32 and  name HZ   )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_       N_N914   V_6.315  S_AQ    *M 5.5/6.5

assign (resid   33 and  name HA   )(resid   33 and  name HB#  ) 3.3 1.5 0.0 ! A_lr     N_N397   V_105.4  S_AQ    

assign (resid   33 and  name HA   )(resid   33 and  name HG#  ) 3.3 1.5 0.0 ! A_r      N_N396   V_36.71  S_AQ    

assign (resid   33 and  name HB#  )(resid   34 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N809   V_65.38  S_QA    

assign (resid   33 and  name HB#  )(resid   39 and  name HB   ) 5.0 3.2 0.0 ! A_or     N_N1043  V_56.02  S_QA    

assign (resid   33 and  name HB#  )(resid   39 and  name HG2# ) 6.0 4.2 0.5 ! A_o      N_N1045  V_36.62  S_Qm    

assign (resid   33 and  name HB#  )(resid   41 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N1351  V_13.72  S_QA    

assign (resid   33 and  name HB#  )(resid   41 and  name HB1  ) 6.0 4.2 0.0 ! A_o      N_N1368  V_30.03  S_QS    

assign (resid   33 and  name HB#  )(resid   41 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N1133  V_6.891  S_QR    

assign (resid   33 and  name HB#  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N1082  V_14.63  S_QQ    

assign (resid   33 and  name HB#  )(resid   41 and  name HG#  ) 5.0 3.2 1.0 ! A_l      N_N1134  V_25.8   S_Q2    

assign (resid   33 and  name HG#  )(resid   34 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N810   V_66.97  S_QA    

assign (resid   33 and  name HG#  )(resid   39 and  name HG2# ) 6.0 4.2 0.5 ! A_o      N_N1046  V_10.33  S_Qm    

assign (resid   33 and  name HN   )(resid   33 and  name HB#  ) 3.3 1.5 0.0 ! A_l      N_N395   V_72.36  S_AQ    

assign (resid   35 and  name HB2  )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_r      N_N417   V_36.99  S_2Q    

assign (resid   35 and  name HB1  )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N419   V_20.96  S_1Q    

assign (resid   35 and  name HB1  )(resid   35 and  name HG#  ) 5.0 3.2 0.0 ! A_l      N_N425   V_81.51  S_1Q    

assign (resid   35 and  name HB2  )(resid   35 and  name HG#  ) 5.0 3.2 0.0 ! A_o      N_N426   V_359.1  S_2Q    

assign (resid   35 and  name HE   )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N430   V_9.816  S_AQ    

assign (resid   35 and  name HE   )(resid   35 and  name HG#  ) 5.0 3.2 0.0 ! A_       N_N433   V_5.861  S_AQ    

assign (resid   35 and  name HG#  )(resid   35 and  name HD#  ) 5.0 3.2 0.0 ! A_       N_N421   V_40.32  S_QQ    

assign (resid   35 and  name HG#  )(resid   36 and  name HD21 ) 6.0 4.2 0.0 ! A_or     N_N869   V_2.905  S_Qa    

assign (resid   35 and  name HG#  )(resid   36 and  name HD22 ) 6.0 4.2 0.0 ! A_or     N_N942   V_12.32  S_Qa    

assign (resid   39 and  name HA   )(resid   40 and  name HB#  ) 5.0 3.2 0.0 ! A_r      N_N1092  V_9.221  S_AQ    

assign (resid   39 and  name HG2# )(resid   40 and  name HB#  ) 6.0 4.2 0.5 ! A_       N_N1089  V_3.293  S_mQ    

assign (resid   40 and  name HA   )(resid   40 and  name HB#  ) 3.3 1.5 0.0 ! A_r      N_N499   V_50.48  S_AQ    

assign (resid   40 and  name HD2  )(resid   40 and  name HB#  ) 5.0 3.2 0.0 ! A_       N_N1310  V_13.1   S_AQ    

assign (resid   40 and  name HE1  )(resid   40 and  name HB#  ) 6.0 4.2 0.0 ! A_l      N_N728   V_3.777  S_AQ    

assign (resid   41 and  name HB1  )(resid   41 and  name HE#  ) 6.0 4.2 0.0 ! A_o      N_N1194  V_27.71  S_SQ    

assign (resid   41 and  name HB2  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N528   V_8.476  S_RQ    

assign (resid   41 and  name HD#  )(resid   41 and  name HE#  ) 6.0 4.2 0.0 ! A_o      N_N522   V_28.08  S_QQ    

assign (resid   41 and  name HG#  )(resid   41 and  name HD#  ) 3.3 1.5 1.0 ! A_r      N_N525   V_38.12  S_2Q    

assign (resid   41 and  name HG1  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N534   V_11.08  S_1Q    

assign (resid   41 and  name HG2  )(resid   41 and  name HE#  ) 5.0 3.2 0.0 ! A_       N_N539   V_10.39  S_2Q    

assign (resid   41 and  name HN   )(resid   41 and  name HD#  ) 6.0 4.2 0.0 ! A_o      N_N1197  V_17.33  S_AQ    

assign (resid   45 and  name HA   )(resid   45 and  name HB#  ) 6.0 4.2 0.0 ! A_o      N_N567   V_8.473  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_40.27  S_A1    

assign (resid    4 and  name HA   )(resid    7 and  name HB#  ) 6.0 4.2 0.5 ! A_r      N_N1086  V_2.843  S_Am    

assign (resid    4 and  name HB2  )(resid    5 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N1255  V_33.75  S_2A    

assign (resid    4 and  name HB1  )(resid    5 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N699   V_40.27  S_1A    

assign (resid    4 and  name HB2  )(resid    7 and  name HB#  ) 5.0 3.2 0.5 ! A_       N_N1379  V_4.619  S_2m    

assign (resid    4 and  name HB1  )(resid    7 and  name HB#  ) 5.0 3.2 0.5 ! A_       N_N1380  V_7.584  S_1m    

assign (resid    4 and  name HB1  )(resid    7 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N807   V_5.26   S_1A    

assign (resid    4 and  name HB2  )(resid    7 and  name HN   ) 6.0 4.2 0.0 ! A_or     N_N1406  V_11.81  S_2A    

assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N1     V_274.9  S_AA    

assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N2     V_30.12  S_A1    

assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 3.3 1.5 0.0 ! A_l      N_N1256  V_26.07  S_A2    

assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N700   V_7.525  S_AA    

assign (resid    4 and  name HN   )(resid    7 and  name HB#  ) 6.0 4.2 0.5 ! A_       N_N789   V_0.8043 S_Am    

assign (resid    5 and  name HA   )(resid    5 and  name HE21 ) 5.0 3.2 0.0 ! A_or     N_N861   V_20.5   S_Aa    

assign (resid    5 and  name HA   )(resid    5 and  name HE22 ) 6.0 4.2 0.0 ! A_or     N_N977   V_14.12  S_Aa    

assign (resid    5 and  name HA   )(resid   24 and  name HB#  ) 6.0 4.2 1.0 ! A_o      N_N1021  V_12.66  S_A2    

assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N4     V_25.05  S_AA    

assign (resid    5 and  name HN   )(resid    5 and  name HE21 ) 5.0 3.2 0.0 ! A_       N_N1251  V_3.121  S_Aa    

assign (resid    5 and  name HN   )(resid    5 and  name HE22 ) 5.0 3.2 0.0 ! A_       N_N1252  V_3.221  S_Aa    

assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N628   V_21.35  S_AA    

assign (resid    6 and  name HA   )(resid    8 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N846   V_1.609  S_AA    

assign (resid    6 and  name HA   )(resid    9 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N820   V_3.606  S_AA    

assign (resid    6 and  name HA   )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_r      N_N1358  V_26.31  S_A2    

assign (resid    6 and  name HA   )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_o      N_N1010  V_52.83  S_A1    

assign (resid    6 and  name HA   )(resid   10 and  name HG2  ) 6.0 4.2 0.0 ! A_lr     N_N1178  V_10.11  S_A2    

assign (resid    6 and  name HA   )(resid   10 and  name HG1  ) 6.0 4.2 0.0 ! A_l      N_N1027  V_4.344  S_A1    

assign (resid    6 and  name HA   )(resid   17 and  name HB1  ) 5.0 3.2 0.0 ! A_or     N_N1389  V_27.89  S_AR    

assign (resid    6 and  name HA   )(resid   17 and  name HB2  ) 6.0 4.2 0.0 ! A_lr     N_N1100  V_6.18   S_AS    

assign (resid    6 and  name HB#  )(resid    9 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N822   V_2.004  S_2A    

assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N16    V_50.05  S_AA    

assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N614   V_31.26  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_21.26  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_2.962  S_Am    

assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 3.3 1.5 0.0 ! A_       N_N629   V_20.9   S_AA    

assign (resid    6 and  name HN   )(resid   19 and  name HB1  ) 6.0 4.2 0.0 ! A_       N_N1229  V_1.258  S_AR    

assign (resid    6 and  name HN   )(resid   19 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N627   V_8.156  S_AS    

assign (resid    7 and  name HB#  )(resid    8 and  name HA   ) 6.0 4.2 0.5 ! A_       N_N1085  V_2.969  S_mA    

assign (resid    7 and  name HB#  )(resid    9 and  name HN   ) 6.0 4.2 0.5 ! A_r      N_N823   V_3.912  S_mA    

assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N802   V_29.41  S_AA    

assign (resid    8 and  name HB1  )(resid    8 and  name HG#  ) 5.0 3.2 1.0 ! A_l      N_N1157  V_58.71  S_11    

assign (resid    8 and  name HB2  )(resid    8 and  name HG#  ) 5.0 3.2 1.0 ! A_o      N_N1158  V_68.92  S_21    

assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N25    V_13.4   S_AA    

assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.3 1.5 0.0 ! A_       N_N1290  V_19.72  S_AA    

assign (resid    8 and  name HN   )(resid   10 and  name HD2  ) 6.0 4.2 0.0 ! A_l      N_N1304  V_5.605  S_A2    

assign (resid    8 and  name HN   )(resid   10 and  name HD1  ) 6.0 4.2 0.0 ! A_l      N_N845   V_2.211  S_A1    

assign (resid    9 and  name HA   )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_r*o      N_N1011  V_38.43  S_A1 *M 2.7/4.3 

assign (resid    9 and  name HA   )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_r*o      N_N1357  V_29.99  S_A2 *M 2.7/4.3 

assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N31    V_103    S_AA    

assign (resid    9 and  name HN   )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_l      N_N1289  V_25.15  S_A2    

assign (resid    9 and  name HN   )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_l      N_N824   V_22.79  S_A1    

assign (resid   10 and  name HB2  )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_       N_N1339  V_11.33  S_22    

assign (resid   10 and  name HB1  )(resid   10 and  name HD2  ) 5.0 3.2 0.0 ! A_       N_N1340  V_9.976  S_12    

assign (resid   10 and  name HB1  )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_       N_N53    V_8.108  S_11    

assign (resid   10 and  name HB2  )(resid   10 and  name HD1  ) 5.0 3.2 0.0 ! A_       N_N54    V_9.224  S_21    

assign (resid   10 and  name HB#  )(resid   10 and  name HG#  ) 2.7 0.9 0.0 ! A_       N_N1359  V_41.68  S_11    

assign (resid   10 and  name HB2  )(resid   36 and  name HD21 ) 6.0 4.2 0.0 ! A_r      N_N868   V_4.226  S_2a    

assign (resid   10 and  name HB1  )(resid   36 and  name HD21 ) 6.0 4.2 0.0 ! A_or     N_N1315  V_2.532  S_1a    

assign (resid   10 and  name HB#  )(resid   36 and  name HD22 ) 6.0 4.2 1.0 ! A_or     N_N943   V_10.28  S_2a    

assign (resid   10 and  name HD1  )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N834   V_23.66  S_1A    

assign (resid   10 and  name HD2  )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N1296  V_14.02  S_2A    

assign (resid   10 and  name HG2  )(resid   10 and  name HD2  ) 3.3 1.5 0.0 ! A_       N_N1337  V_26.71  S_22    

assign (resid   10 and  name HG1  )(resid   10 and  name HD1  ) 3.3 1.5 0.0 ! A_r      N_N41    V_26.06  S_11    

assign (resid   10 and  name HG1  )(resid   10 and  name HD2  ) 3.3 1.5 0.0 ! A_       N_N1338  V_22.02  S_12    

assign (resid   10 and  name HG2  )(resid   10 and  name HD1  ) 3.3 1.5 0.0 ! A_       N_N51    V_23.5   S_21    

assign (resid   10 and  name HG1  )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N837   V_17.69  S_1A    

assign (resid   10 and  name HG2  )(resid   11 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N838   V_6.76   S_2A    

assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N735   V_101.8  S_AA    

assign (resid   11 and  name HA   )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N978   V_11.55  S_AA    

assign (resid   11 and  name HA   )(resid   36 and  name HB1  ) 5.0 3.2 0.0 ! A_r      N_N1015  V_10.56  S_AR    

assign (resid   11 and  name HB1  )(resid   15 and  name HA#  ) 3.3 1.5 1.0 ! A_       N_N1062  V_18.71  S_R2    

assign (resid   11 and  name HB1  )(resid   15 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N881   V_4.287  S_RA    

assign (resid   11 and  name HB1  )(resid   16 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N1260  V_8.073  S_RA    

assign (resid   11 and  name HB1  )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N984   V_3.915  S_RA    

assign (resid   11 and  name HB1  )(resid   26 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N1060  V_19.47  S_RR    

assign (resid   11 and  name HB1  )(resid   26 and  name HB2  ) 5.0 3.2 0.0 ! A_r      N_N1057  V_8.411  S_RS    

assign (resid   11 and  name HB2  )(resid   15 and  name HA#  ) 5.0 3.2 1.0 ! A_       N_N1102  V_8.649  S_S2    

assign (resid   11 and  name HB2  )(resid   15 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N879   V_2.052  S_SA    

assign (resid   11 and  name HB2  )(resid   17 and  name HB1  ) 5.0 3.2 0.0 ! A_r      N_N1386  V_2.01   S_SR    

assign (resid   11 and  name HB2  )(resid   17 and  name HB2  ) 6.0 4.2 0.0 ! A_l      N_N1387  V_6.129  S_SS    

assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N59    V_19.47  S_AA    

assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 2.7 0.9 0.0 ! A_r      N_N63    V_28.93  S_AS    

assign (resid   11 and  name HN   )(resid   17 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N839   V_5.653  S_AS    

assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N673   V_89.31  S_AA    

assign (resid   12 and  name HA   )(resid   14 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N712   V_10.47  S_AA    

assign (resid   12 and  name HE21 )(resid   36 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N876   V_3.082  S_aR    

assign (resid   12 and  name HE22 )(resid   38 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N947   V_2.502  S_aS    

assign (resid   12 and  name HE22 )(resid   38 and  name HB2  ) 6.0 4.2 0.0 ! A_o      N_N946   V_5.974  S_aR    

assign (resid   12 and  name HG#  )(resid   13 and  name HD21 ) 5.0 3.2 1.0 ! A_or     N_N793   V_18.18  S_2a    

assign (resid   12 and  name HG#  )(resid   13 and  name HD22 ) 5.0 3.2 1.0 ! A_lr     N_N904   V_10.02  S_2a    

assign (resid   12 and  name HG#  )(resid   38 and  name HA   ) 3.3 1.5 1.0 ! A_lr     N_N1049  V_28.55  S_2A    

assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N71    V_19.65  S_AA    

assign (resid   12 and  name HN   )(resid   12 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N72    V_39.11  S_A1    

assign (resid   12 and  name HN   )(resid   12 and  name HG2  ) 5.0 3.2 0.0 ! A_o      N_N73    V_29.53  S_A2    

assign (resid   12 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.0 ! A_l      N_N746   V_8.877  S_AA    

assign (resid   12 and  name HN   )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N743   V_3.044  S_AA    

assign (resid   12 and  name HN   )(resid   37 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N738   V_13.13  S_AR    

assign (resid   12 and  name HN   )(resid   37 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N737   V_27.24  S_AS    

assign (resid   13 and  name HB1  )(resid   32 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N912   V_9.994  S_RA    

assign (resid   13 and  name HB2  )(resid   32 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N1188  V_16.61  S_SA    

assign (resid   13 and  name HB2  )(resid   37 and  name HB1  ) 6.0 4.2 0.0 ! A_l      N_N1087  V_5.837  S_SR    

assign (resid   13 and  name HD21 )(resid   37 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N795   V_4.569  S_aR    

assign (resid   13 and  name HD21 )(resid   37 and  name HB2  ) 6.0 4.2 0.0 ! A_       N_N796   V_1.417  S_aS    

assign (resid   13 and  name HD21 )(resid   38 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N797   V_26.83  S_aA    

assign (resid   13 and  name HD22 )(resid   38 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N903   V_19.05  S_aA    

assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 3.3 1.5 0.0 ! A_l      N_N83    V_82.92  S_AA    

assign (resid   13 and  name HN   )(resid   13 and  name HD21 ) 5.0 3.2 0.0 ! A_       N_N679   V_3.164  S_Aa    

assign (resid   13 and  name HN   )(resid   13 and  name HD22 ) 5.0 3.2 0.0 ! A_       N_N681   V_2.427  S_Aa    

assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 3.3 1.5 0.0 ! A_       N_N678   V_13.06  S_AA  *M 4.3/3.3 

assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1249  V_2.516  S_AA    

assign (resid   14 and  name HA2  )(resid   29 and  name HD1# ) 5.0 3.2 2.5 ! A_       N_N1024  V_10.37  S_21   *M HD1#

assign (resid   14 and  name HA1  )(resid   29 and  name HD1# ) 4.3 3.7 2.5 ! A_l      N_N1023  V_26.54  S_11   *M HD1# ub=4.3

assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N714   V_22.56  S_AA   *M 3.3/2.7 

assign (resid   15 and  name HA1  )(resid   16 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N730   V_71.59  S_1A   *M 3.3/2.7/3.3

assign (resid   15 and  name HA2  )(resid   16 and  name HN   ) 2.7 0.9 0.0 ! A_lr     N_N731   V_35.91  S_2A   *M 3.3/2.7

assign (resid   15 and  name HA#  )(resid   27 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N595   V_3.304  S_1A    

assign (resid   15 and  name HA2  )(resid   28 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N1150  V_32.85  S_2A    

assign (resid   15 and  name HA1  )(resid   28 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N1151  V_19.26  S_1A    

assign (resid   15 and  name HN   )(resid   15 and  name HA2  ) 3.3 1.5 0.0 ! A_       N_N103   V_28.66  S_A1  *M 

assign (resid   15 and  name HN   )(resid   15 and  name HA1  ) 2.7 0.9 0.0 ! A_       N_N104   V_52.35  S_A2  *M HA1/HA2 switched

assign (resid   16 and  name HN   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N734   V_1.6    S_AA    

assign (resid   16 and  name HN   )(resid   27 and  name HB1  ) 6.0 4.2 0.0 ! A_l      N_N732   V_5.706  S_AS    

assign (resid   16 and  name HN   )(resid   27 and  name HB2  ) 5.0 3.2 0.0 ! A_l      N_N733   V_8.331  S_AR    

assign (resid   16 and  name HN   )(resid   27 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N598   V_17.39  S_AA    

assign (resid   17 and  name HA   )(resid   26 and  name HA   ) 2.7 0.9 0.0 ! A_r      N_N982   V_45.68  S_AA    

assign (resid   17 and  name HA   )(resid   27 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N590   V_104    S_AA    

assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N112   V_15.43  S_AA    

assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N113   V_44.65  S_AR    

assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N114   V_42.09  S_AS    

assign (resid   17 and  name HN   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N690   V_2.434  S_AA    

assign (resid   18 and  name HB2  )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_lr     N_N1360  V_2.277  S_2m    

assign (resid   18 and  name HB1  )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_lr     N_N1361  V_2.067  S_1m    

assign (resid   18 and  name HB2  )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N1129  V_7.432  S_2m    

assign (resid   18 and  name HB1  )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_l      N_N1130  V_9.539  S_1m    

assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.3 1.5 0.0 ! A_l      N_N121   V_29.35  S_AA    

assign (resid   18 and  name HN   )(resid   24 and  name HB1  ) 6.0 4.2 0.0 ! A_or     N_N1400  V_31.57  S_A1    

assign (resid   18 and  name HN   )(resid   24 and  name HB2  ) 6.0 4.2 0.0 ! A_or     N_N1172  V_12.31  S_A2    

assign (resid   18 and  name HN   )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N607   V_5.73   S_Am    

assign (resid   18 and  name HN   )(resid   25 and  name HN   ) 3.3 1.5 0.0 ! A_       N_N609   V_18.87  S_AA    

assign (resid   18 and  name HN   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N601   V_99.75  S_AA    

assign (resid   19 and  name HA   )(resid   19 and  name HB1  ) 2.7 0.9 0.0 ! A_r      N_N154   V_70.54  S_AR    

assign (resid   19 and  name HA   )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_or     N_N986   V_37.4   S_AA    

assign (resid   19 and  name HA   )(resid   24 and  name HB#  ) 5.0 3.2 1.0 ! A_or     N_N1156  V_40.98  S_A1    

assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N153   V_460.7  S_AA    

assign (resid   19 and  name HN   )(resid   19 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N151   V_56.18  S_AR    

assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N682   V_19.6   S_AA    

assign (resid   20 and  name HB1  )(resid   21 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N684   V_34.66  S_SA    

assign (resid   20 and  name HB1  )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1140  V_3.68   S_SA    

assign (resid   20 and  name HB1  )(resid   25 and  name HD1# ) 5.0 3.2 0.5 ! A_       N_N1127  V_4.973  S_Sm    

assign (resid   20 and  name HB1  )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N1128  V_2.212  S_Sm    

assign (resid   20 and  name HB2  )(resid   21 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N683   V_30.42  S_RA    

assign (resid   20 and  name HB2  )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1141  V_9.062  S_RA    

assign (resid   20 and  name HB2  )(resid   25 and  name HD1# ) 5.0 3.2 0.5 ! A_       N_N1124  V_7.826  S_Rm    

assign (resid   20 and  name HB2  )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N1123  V_4.815  S_Rm    

assign (resid   20 and  name HE21 )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N887   V_2.671  S_am    

assign (resid   20 and  name HE21 )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N885   V_1.55   S_am    

assign (resid   20 and  name HE22 )(resid   25 and  name HD1# ) 6.0 4.2 0.5 ! A_       N_N970   V_4.369  S_am    

assign (resid   20 and  name HE22 )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N971   V_1.215  S_am    

assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N156   V_46.6   S_AA    

assign (resid   20 and  name HN   )(resid   20 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N159   V_17.91  S_AR    

assign (resid   20 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N778   V_3.606  S_AA    

assign (resid   20 and  name HN   )(resid   24 and  name HA   ) 3.3 1.5 0.0 ! A_l      N_N774   V_52.18  S_AA    

assign (resid   20 and  name HN   )(resid   24 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N775   V_4.148  S_A1    

assign (resid   20 and  name HN   )(resid   24 and  name HB2  ) 5.0 3.2 0.0 ! A_o      N_N1179  V_26     S_A2    

assign (resid   20 and  name HN   )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N663   V_5.946  S_AA    

assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 0.0 ! A_lr     N_N182   V_37.15  S_A1    

assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 0.0 ! A_o      N_N1348  V_30.54  S_A2    

assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N171   V_53.05  S_AA    

assign (resid   21 and  name HN   )(resid   21 and  name HD2# ) 5.0 3.2 0.5 ! A_r      N_N1245  V_5.702  S_A2    

assign (resid   21 and  name HN   )(resid   21 and  name HD1# ) 5.0 3.2 0.5 ! A_r      N_N1246  V_6.024  S_A1    

assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1287  V_23.22  S_AA   *M 3.3/4.3 

assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1238  V_8.469  S_AA    

assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N768   V_35.93  S_AA    

assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N214   V_22.34  S_AA    

assign (resid   24 and  name HA   )(resid   25 and  name HB   ) 5.0 3.2 0.0 ! A_       N_N990   V_3.271  S_AA    

assign (resid   24 and  name HA   )(resid   25 and  name HG2# ) 6.0 4.2 0.5 ! A_       N_N992   V_2.581  S_Am    

assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N659   V_67.19  S_AA    

assign (resid   24 and  name HB1  )(resid   25 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N656   V_32.6   S_1A    *M 3.3/4.3

assign (resid   24 and  name HB2  )(resid   25 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N657   V_18.65  S_2A

assign (resid   24 and  name HB#  )(resid   26 and  name HA   ) 5.0 3.2 1.0 ! A_lr     N_N985   V_7.977  S_1A    

assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N221   V_14.58  S_AA    

assign (resid   25 and  name HA   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N983   V_4.17   S_AA    

assign (resid   25 and  name HA   )(resid   26 and  name HB1  ) 6.0 4.2 0.0 ! A_r      N_N1097  V_2.992  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_6.908  S_AS    

assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N706   V_105.9  S_AA    

assign (resid   25 and  name HB   )(resid   25 and  name HG12 ) 5.0 3.2 0.0 ! A_r      N_N261   V_24.03  S_A2    

assign (resid   25 and  name HB   )(resid   25 and  name HG11 ) 5.0 3.2 0.0 ! A_o      N_N247   V_174.8  S_A1    

assign (resid   25 and  name HB   )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_lr     N_N708   V_18.82  S_AA    

assign (resid   25 and  name HD1# )(resid   26 and  name HN   ) 6.0 4.2 0.5 ! A_r      N_N710   V_2.114  S_mA    

assign (resid   25 and  name HD1# )(resid   27 and  name HZ   ) 6.0 4.2 0.5 ! A_or     N_N1207  V_20.4   S_mA    

assign (resid   25 and  name HG11 )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N256   V_7.437  S_1m    

assign (resid   25 and  name HG12 )(resid   25 and  name HG2# ) 5.0 3.2 0.5 ! A_       N_N265   V_9.459  S_2m    

assign (resid   25 and  name HG11 )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N709   V_3.619  S_1A    

assign (resid   25 and  name HG12 )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N711   V_2.442  S_2A    

assign (resid   25 and  name HG2# )(resid   26 and  name HA   ) 6.0 4.2 0.5 ! A_       N_N1403  V_1.257  S_mA    

assign (resid   25 and  name HG2# )(resid   26 and  name HN   ) 5.0 3.2 0.5 ! A_r      N_N707   V_8.461  S_mA    

assign (resid   25 and  name HG2# )(resid   27 and  name HZ   ) 6.0 4.2 0.5 ! A_or     N_N1206  V_20.77  S_mA    

assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N233   V_20.06  S_AA    

assign (resid   25 and  name HN   )(resid   25 and  name HG12 ) 5.0 3.2 0.0 ! A_       N_N235   V_4.219  S_A2    

assign (resid   25 and  name HN   )(resid   25 and  name HG11 ) 5.0 3.2 0.0 ! A_       N_N241   V_1.6    S_A1    

assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N661   V_8.319  S_AA  *M 4.3/5.5  

assign (resid   26 and  name HA   )(resid   26 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N282   V_49.29  S_AR    

assign (resid   26 and  name HA   )(resid   26 and  name HB2  ) 3.3 1.5 0.0 ! A_       N_N281   V_30     S_AS  *M 2.7/3.3    

assign (resid   26 and  name HB1  )(resid   27 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N592   V_17.78  S_RA    

assign (resid   26 and  name HB1  )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1146  V_4.06   S_RA    

assign (resid   26 and  name HB1  )(resid   37 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N828   V_1.227  S_RA    

assign (resid   26 and  name HB2  )(resid   27 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N1101  V_7.345  S_SA    *M 4.3/5.5/6.0

assign (resid   26 and  name HB2  )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N980   V_8.026  S_SA    

assign (resid   26 and  name HB2  )(resid   37 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N829   V_2.686  S_SA    

assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N277   V_10.09  S_AA    

assign (resid   26 and  name HN   )(resid   26 and  name HB1  ) 5.0 3.2 0.0 ! A_r      N_N286   V_21.81  S_AR   *M 3.3/4.3

assign (resid   26 and  name HN   )(resid   26 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N278   V_35.14  S_AS    

assign (resid   27 and  name HB1  )(resid   28 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N688   V_11.11  S_SA    

assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 3.3 1.5 0.0 ! A_l      N_N289   V_38.35  S_AA    

assign (resid   27 and  name HN   )(resid   27 and  name HB1  ) 5.0 3.2 0.0 ! A_r      N_N292   V_17.78  S_AS    *M 3.3/4.3

assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 3.3 1.5 0.0 ! A_l      N_N291   V_47.26  S_AR    

assign (resid   28 and  name HA   )(resid   28 and  name HB1  ) 2.7 0.9 0.0 ! A_r      N_N302   V_51.01  S_AR    

assign (resid   28 and  name HA   )(resid   37 and  name HB2  ) 6.0 4.2 0.0 ! A_or     N_N1163  V_13.7   S_AS    

assign (resid   28 and  name HB1  )(resid   29 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N736   V_29.06  S_RA    

assign (resid   28 and  name HB1  )(resid   32 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N1080  V_45.89  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_74.88  S_RR    

assign (resid   28 and  name HB1  )(resid   32 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N782   V_6.609  S_RA    

assign (resid   28 and  name HB2  )(resid   32 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N1110  V_50.13  S_SS  *M 3.3/4.3  

assign (resid   28 and  name HB2  )(resid   32 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N784   V_18.42  S_SA    

assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N298   V_464    S_AA    

assign (resid   28 and  name HN   )(resid   28 and  name HB1  ) 5.0 3.2 0.0 ! A_       N_N299   V_17.56  S_AR   *M 3.3/4.3 

assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N300   V_102.5  S_AS    

assign (resid   29 and  name HA   )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_r      N_N1007  V_89.64  S_A1    

assign (resid   29 and  name HA   )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_or     N_N1008  V_56.3   S_A2    

assign (resid   29 and  name HD2# )(resid   30 and  name HD2  ) 6.0 4.2 0.5 ! A_       N_N1033  V_16.36  S_22    

assign (resid   29 and  name HD1# )(resid   30 and  name HD2  ) 6.0 4.2 0.5 ! A_       N_N1034  V_4.689  S_12    

assign (resid   29 and  name HD1# )(resid   30 and  name HD1  ) 6.0 4.2 0.5 ! A_l      N_N1036  V_3.157  S_11    

assign (resid   29 and  name HD2# )(resid   30 and  name HD1  ) 6.0 4.2 0.5 ! A_o      N_N1035  V_32.84  S_21    

assign (resid   29 and  name HD1# )(resid   32 and  name HZ   ) 6.0 4.2 2.5 ! A_lr     N_N926   V_0.8744 S_1A   *M HD1# 

assign (resid   29 and  name HG   )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_o      N_N1041  V_47.49  S_A1   *M 4.3/5.5 

assign (resid   29 and  name HG   )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_or     N_N1038  V_26.52  S_A2   *M 4.3/5.5 

assign (resid   29 and  name HG   )(resid   31 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N853   V_7.521  S_AA   *M 4.3/5.5 

assign (resid   29 and  name HG   )(resid   32 and  name HZ   ) 6.0 4.2 0.0 ! A_or     N_N911   V_9.655  S_AA    

assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N307   V_7.065  S_AA    

assign (resid   29 and  name HN   )(resid   29 and  name HD1# ) 5.0 3.2 0.5 ! A_r      N_N328   V_6.74   S_A1    

assign (resid   29 and  name HN   )(resid   29 and  name HD2# ) 5.0 3.2 0.5 ! A_r      N_N329   V_8.23   S_A2    

assign (resid   29 and  name HN   )(resid   29 and  name HG   ) 5.0 3.2 0.0 ! A_o      N_N309   V_101.4  S_AA    

assign (resid   29 and  name HN   )(resid   32 and  name HB2  ) 6.0 4.2 0.0 ! A_o      N_N740   V_9.004  S_AR    

assign (resid   30 and  name HA   )(resid   30 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N338   V_31.91  S_A1    

assign (resid   30 and  name HA   )(resid   30 and  name HB2  ) 3.3 1.5 0.0 ! A_r      N_N348   V_26.35  S_A2    *M2.7/3.3

assign (resid   30 and  name HA   )(resid   32 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N780   V_3.776  S_AA    

assign (resid   30 and  name HB2  )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_l      N_N366   V_41.44  S_21    

assign (resid   30 and  name HB2  )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_l      N_N367   V_45.01  S_22    

assign (resid   30 and  name HB1  )(resid   30 and  name HD2  ) 5.0 3.2 0.0 ! A_       N_N360   V_8.724  S_12    

assign (resid   30 and  name HB1  )(resid   30 and  name HD1  ) 5.0 3.2 0.0 ! A_r      N_N350   V_11.48  S_11    

assign (resid   30 and  name HD2  )(resid   31 and  name HN   ) 6.0 4.2 0.0 ! A_lr     N_N1302  V_12.73  S_2A    

assign (resid   30 and  name HD1  )(resid   31 and  name HN   ) 6.0 4.2 0.0 ! A_or     N_N1303  V_9.066  S_1A    

assign (resid   30 and  name HG1  )(resid   30 and  name HD2  ) 3.3 1.5 0.0 ! A_r      N_N355   V_41.35  S_12    

assign (resid   30 and  name HG2  )(resid   30 and  name HD2  ) 3.3 1.5 0.0 ! A_r      N_N356   V_71.93  S_22    

assign (resid   30 and  name HG1  )(resid   30 and  name HD1  ) 3.3 1.5 0.0 ! A_l      N_N362   V_71.2   S_11    

assign (resid   30 and  name HG2  )(resid   30 and  name HD1  ) 3.3 1.5 0.0 ! A_lr     N_N352   V_55.68  S_21    

assign (resid   31 and  name HA   )(resid   32 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N781   V_18.96  S_AA    

assign (resid   31 and  name HA   )(resid   41 and  name HB1  ) 5.0 3.2 0.0 ! A_l      N_N1028  V_29.18  S_AS  *M 3.3/4.3 

assign (resid   31 and  name HA   )(resid   41 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N763   V_3.194  S_AA    

assign (resid   31 and  name HB#  )(resid   32 and  name HZ   ) 6.0 4.2 0.5 ! A_or     N_N910   V_19.38  S_mA    

assign (resid   31 and  name HB#  )(resid   40 and  name HA   ) 6.0 4.2 0.5 ! A_       N_N1091  V_1.838  S_mA    

assign (resid   31 and  name HB#  )(resid   40 and  name HD2  ) 5.0 3.2 0.5 ! A_r      N_N1311  V_9.459  S_mA    

assign (resid   31 and  name HB#  )(resid   40 and  name HE1  ) 6.0 4.2 0.5 ! A_r      N_N727   V_3.252  S_mA    

assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N369   V_44.62  S_AA    

assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N786   V_27.67  S_AA    

assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N640   V_74.04  S_AA    

assign (resid   32 and  name HA   )(resid   40 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N995   V_26.66  S_AA    

assign (resid   32 and  name HA   )(resid   40 and  name HD2  ) 5.0 3.2 0.0 ! A_r      N_N1314  V_1.507  S_AA    

assign (resid   32 and  name HA   )(resid   41 and  name HG#  ) 5.0 3.2 1.0 ! A_r      N_N1143  V_7.457  S_A2    

assign (resid   32 and  name HA   )(resid   41 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N765   V_42.66  S_AA    

assign (resid   32 and  name HB1  )(resid   33 and  name HN   ) 5.0 3.2 0.0 ! A_or     N_N645   V_62.99  S_SA    

assign (resid   32 and  name HB1  )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N1154  V_33.07  S_SA    

assign (resid   32 and  name HB1  )(resid   40 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1093  V_7.239  S_SA    

assign (resid   32 and  name HB2  )(resid   33 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N646   V_10     S_RA    

assign (resid   32 and  name HB2  )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1106  V_7.213  S_RA    *M 4.3/5.5

assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N378   V_8.82   S_AA    

assign (resid   32 and  name HN   )(resid   32 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N377   V_36.37  S_AR    

assign (resid   32 and  name HZ   )(resid   40 and  name HA   ) 6.0 4.2 0.0 ! A_       N_N915   V_2.282  S_AA  *M 5.0/6.0  

assign (resid   32 and  name HZ   )(resid   40 and  name HE1  ) 6.0 4.2 0.0 ! A_r      N_N1258  V_1.22   S_AA    

assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N801   V_46.44  S_AA    

assign (resid   33 and  name HA   )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_r      N_N1165  V_3.352  S_AA    

assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 5.0 3.2 0.0 ! A_l      N_N393   V_16.84  S_AA    

assign (resid   33 and  name HN   )(resid   34 and  name HA#  ) 6.0 4.2 1.0 ! A_o      N_N1233  V_8.49   S_A1    

assign (resid   33 and  name HN   )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1234  V_8.526  S_AA    

assign (resid   33 and  name HN   )(resid   37 and  name HN   ) 6.0 4.2 0.0 ! A_       N_N653   V_1.136  S_AA    

assign (resid   33 and  name HN   )(resid   39 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N642   V_50.54  S_AA   *M 4.3/5.5 

assign (resid   33 and  name HN   )(resid   39 and  name HB   ) 5.0 3.2 0.0 ! A_l      N_N644   V_22.13  S_AA    

assign (resid   33 and  name HN   )(resid   39 and  name HG2# ) 6.0 4.2 0.5 ! A_o      N_N1190  V_15.77  S_Am    

assign (resid   33 and  name HN   )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_l      N_N649   V_12.26  S_AA    

assign (resid   33 and  name HN   )(resid   40 and  name HA   ) 6.0 4.2 0.0 ! A_o      N_N641   V_14.15  S_AA    

assign (resid   33 and  name HN   )(resid   41 and  name HG#  ) 5.0 3.2 1.0 ! A_       N_N648   V_3.387  S_A2    

assign (resid   33 and  name HN   )(resid   41 and  name HN   ) 6.0 4.2 0.0 ! A_l      N_N650   V_6.421  S_AA    

assign (resid   34 and  name HA1  )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N666   V_7.634  S_1A    

assign (resid   34 and  name HA2  )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N668   V_4.185  S_2A    

assign (resid   34 and  name HA#  )(resid   37 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N826   V_5.504  S_1A    

assign (resid   34 and  name HA#  )(resid   38 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N586   V_6.459  S_1A    

assign (resid   34 and  name HA#  )(resid   39 and  name HB   ) 5.0 3.2 1.0 ! A_r      N_N1164  V_14.04  S_1A    

assign (resid   34 and  name HA#  )(resid   39 and  name HN   ) 5.0 3.2 1.0 ! A_r      N_N716   V_4.175  S_1A    

assign (resid   35 and  name HA   )(resid   37 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N827   V_3.394  S_AA    

assign (resid   35 and  name HB2  )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N671   V_17.33  S_2A    

assign (resid   35 and  name HB1  )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N672   V_7.594  S_1A    

assign (resid   35 and  name HB#  )(resid   37 and  name HN   ) 6.0 4.2 1.0 ! A_r      N_N1291  V_0.9131 S_2A    

assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N404   V_23.39  S_AA    

assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N634   V_13.62  S_AA    

assign (resid   35 and  name HN   )(resid   37 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N639   V_2.573  S_AA    

assign (resid   36 and  name HA   )(resid   36 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N443   V_39.49  S_AR    

assign (resid   36 and  name HA   )(resid   36 and  name HD21 ) 5.0 3.2 0.0 ! A_r      N_N864   V_3.548  S_Aa    

assign (resid   36 and  name HA   )(resid   36 and  name HD22 ) 6.0 4.2 0.0 ! A_or     N_N939   V_6.722  S_Aa    

assign (resid   36 and  name HB1  )(resid   38 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N583   V_5.01   S_RA    

assign (resid   36 and  name HD21 )(resid   36 and  name HB2  ) 5.0 3.2 0.0 ! A_       N_N866   V_16.02  S_aR *M080398   

assign (resid   36 and  name HD21 )(resid   36 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N867   V_28.57  S_aS *M080398   

assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N439   V_13.91  S_AA    

assign (resid   36 and  name HN   )(resid   36 and  name HB2  ) 3.3 1.5 0.0 ! A_l      N_N441   V_28.32  S_AS    

assign (resid   36 and  name HN   )(resid   36 and  name HD21 ) 5.0 3.2 0.0 ! A_       N_N1236  V_3.519  S_Aa    

assign (resid   36 and  name HN   )(resid   37 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N667   V_6.214  S_AA    

assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N665   V_36.24  S_AA    

assign (resid   36 and  name HN   )(resid   38 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N587   V_13.07  S_AA    

assign (resid   37 and  name HA   )(resid   37 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N458   V_61.71  S_AR    

assign (resid   37 and  name HA   )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N717   V_7.146  S_AA    

assign (resid   37 and  name HB1  )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N723   V_3.134  S_RA    

assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 2.7 0.9 0.0 ! A_       N_N453   V_93.84  S_AA    

assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 3.3 1.5 0.0 ! A_r      N_N589   V_20.62  S_AA    

assign (resid   37 and  name HN   )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N726   V_2.895  S_AA    

assign (resid   38 and  name HB1  )(resid   38 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N482   V_27.33  S_S1    

assign (resid   38 and  name HB1  )(resid   38 and  name HG2  ) 5.0 3.2 0.0 ! A_o      N_N486   V_143.8  S_S2    

assign (resid   38 and  name HB2  )(resid   38 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N477   V_34.66  S_R1    

assign (resid   38 and  name HB2  )(resid   38 and  name HG2  ) 5.0 3.2 0.0 ! A_o      N_N478   V_142.8  S_R2    

assign (resid   38 and  name HG1  )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N719   V_9.507  S_1A    

assign (resid   38 and  name HG2  )(resid   39 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N720   V_5.74   S_2A    

assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N465   V_17.91  S_AA    

assign (resid   38 and  name HN   )(resid   38 and  name HB1  ) 3.3 1.5 0.0 ! A_       N_N578   V_24.68  S_AS    

assign (resid   38 and  name HN   )(resid   39 and  name HB   ) 5.0 3.2 0.0 ! A_       N_N582   V_2.46   S_AA    

assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 2.7 0.9 0.0 ! A_       N_N588   V_34.02  S_AA    

assign (resid   39 and  name HA   )(resid   40 and  name HN   ) 3.3 1.5 0.0 ! A_lr     N_N630   V_89.3   S_AA    

assign (resid   39 and  name HG2# )(resid   39 and  name HG1  ) 5.0 3.2 0.5 ! A_       N_N1148  V_17.74  S_mA    

assign (resid   39 and  name HG2# )(resid   40 and  name HA   ) 6.0 4.2 0.5 ! A_       N_N1171  V_2.833  S_mA    

assign (resid   39 and  name HG2# )(resid   40 and  name HN   ) 5.0 3.2 0.5 ! A_r      N_N631   V_21.89  S_mA    

assign (resid   39 and  name HN   )(resid   39 and  name HA   ) 3.3 1.5 0.0 ! A_       N_N487   V_19.49  S_AA    

assign (resid   39 and  name HN   )(resid   39 and  name HB   ) 2.7 0.9 0.0 ! A_       N_N488   V_44.97  S_AA    

assign (resid   40 and  name HA   )(resid   40 and  name HD2  ) 5.0 3.2 0.0 ! A_r      N_N1307  V_8.32   S_AA    

assign (resid   40 and  name HA   )(resid   41 and  name HN   ) 2.7 0.9 0.0 ! A_r      N_N764   V_84.18  S_AA    

assign (resid   40 and  name HD2  )(resid   40 and  name HE1  ) 6.0 4.2 0.0 ! A_r      N_N502   V_0.8323 S_AA    

assign (resid   40 and  name HD2  )(resid   41 and  name HN   ) 5.0 3.2 0.0 ! A_       N_N1323  V_4.427  S_AA    

assign (resid   40 and  name HN   )(resid   40 and  name HA   ) 6.0 4.2 0.0 ! A_o      N_N496   V_15.79  S_AA    

assign (resid   40 and  name HN   )(resid   40 and  name HD2  ) 5.0 3.2 0.0 ! A_r      N_N1326  V_3.64   S_AA    

assign (resid   41 and  name HA   )(resid   41 and  name HB1  ) 2.7 0.9 0.0 ! A_       N_N511   V_31.55  S_AS    

assign (resid   41 and  name HA   )(resid   43 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N1271  V_4.723  S_AA    

assign (resid   41 and  name HB1  )(resid   41 and  name HG#  ) 2.7 0.9 1.0 ! A_       N_N524   V_61.33  S_S1    

assign (resid   41 and  name HB1  )(resid   42 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N748   V_12.45  S_SA    

assign (resid   41 and  name HB1  )(resid   43 and  name HN   ) 5.0 3.2 0.0 ! A_r      N_N779   V_2.958  S_SA    

assign (resid   41 and  name HB2  )(resid   41 and  name HG1  ) 2.7 0.9 0.0 ! A_       N_N530   V_217    S_R1    

assign (resid   41 and  name HB2  )(resid   41 and  name HG2  ) 2.7 0.9 0.0 ! A_       N_N531   V_34.17  S_R2    

assign (resid   41 and  name HB2  )(resid   43 and  name HN   ) 6.0 4.2 0.0 ! A_r      N_N1280  V_0.5768 S_RA    

assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 3.3 1.5 0.0 ! A_lr     N_N509   V_32.94  S_AA    

assign (resid   41 and  name HN   )(resid   41 and  name HB2  ) 2.7 0.9 0.0 ! A_       N_N506   V_27.34  S_AR    

assign (resid   41 and  name HN   )(resid   41 and  name HG2  ) 5.0 3.2 0.0 ! A_       N_N508   V_23.17  S_A2    

assign (resid   41 and  name HN   )(resid   41 and  name HG1  ) 5.0 3.2 0.0 ! A_       N_N507   V_11.38  S_A1    

assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N544   V_27.73  S_AA    

assign (resid   43 and  name HN   )(resid   43 and  name HA   ) 5.0 3.2 0.0 ! A_o      N_N554   V_45.78  S_AA    

assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N564   V_3.828  S_AA    

assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 5.0 3.2 0.0 ! A_       N_N1273  V_6.281  S_AA    

#####
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  10 and name c ) (resid  11 and name n ) (resid  11 and name ca ) (resid  11 and name c )  1.0  -100.0 80.0 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 !M

 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

 assign (resid  38 and name c ) (resid  39 and name n ) (resid  39 and name ca ) (resid  39 and name c )  1.0  -120.0 30.0 2

 assign (resid  39 and name c ) (resid  40 and name n ) (resid  40 and name ca ) (resid  40 and name c )  1.0  -100.0 80.0 2

 assign (resid  40 and name c ) (resid  41 and name n ) (resid  41 and name ca ) (resid  41 and name c )  1.0  -100.0 80.0 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 

assign (resid  14 and name ca ) (resid  14 and name c ) (resid  15 and name n ) (resid  15 and name ca )  1.0  180.0 10.0 2 

assign (resid  15 and name ca ) (resid  15 and name c ) (resid  16 and name n ) (resid  16 and name ca )  1.0  180.0 10.0 2 

assign (resid  16 and name ca ) (resid  16 and name c ) (resid  17 and name n ) (resid  17 and name ca )  1.0  180.0 10.0 2 

assign (resid  17 and name ca ) (resid  17 and name c ) (resid  18 and name n ) (resid  18 and name ca )  1.0  180.0 10.0 2 

assign (resid  18 and name ca ) (resid  18 and name c ) (resid  19 and name n ) (resid  19 and name ca )  1.0  180.0 10.0 2 

assign (resid  19 and name ca ) (resid  19 and name c ) (resid  20 and name n ) (resid  20 and name ca )  1.0  180.0 10.0 2 

assign (resid  20 and name ca ) (resid  20 and name c ) (resid  21 and name n ) (resid  21 and name ca )  1.0  180.0 10.0 2 

assign (resid  21 and name ca ) (resid  21 and name c ) (resid  22 and name n ) (resid  22 and name ca )  1.0  180.0 10.0 2 

assign (resid  22 and name ca ) (resid  22 and name c ) (resid  23 and name n ) (resid  23 and name ca )  1.0  180.0 10.0 2 

assign (resid  23 and name ca ) (resid  23 and name c ) (resid  24 and name n ) (resid  24 and name ca )  1.0  180.0 10.0 2 

assign (resid  24 and name ca ) (resid  24 and name c ) (resid  25 and name n ) (resid  25 and name ca )  1.0  180.0 10.0 2 

assign (resid  25 and name ca ) (resid  25 and name c ) (resid  26 and name n ) (resid  26 and name ca )  1.0  180.0 10.0 2 

assign (resid  26 and name ca ) (resid  26 and name c ) (resid  27 and name n ) (resid  27 and name ca )  1.0  180.0 10.0 2 

assign (resid  27 and name ca ) (resid  27 and name c ) (resid  28 and name n ) (resid  28 and name ca )  1.0  180.0 10.0 2 

assign (resid  28 and name ca ) (resid  28 and name c ) (resid  29 and name n ) (resid  29 and name ca )  1.0  180.0 10.0 2 

assign (resid  29 and name ca ) (resid  29 and name c ) (resid  30 and name n ) (resid  30 and name ca )  1.0  180.0 10.0 2 

assign (resid  31 and name ca ) (resid  31 and name c ) (resid  32 and name n ) (resid  32 and name ca )  1.0  180.0 10.0 2 

assign (resid  32 and name ca ) (resid  32 and name c ) (resid  33 and name n ) (resid  33 and name ca )  1.0  180.0 10.0 2 

assign (resid  33 and name ca ) (resid  33 and name c ) (resid  34 and name n ) (resid  34 and name ca )  1.0  180.0 10.0 2 

assign (resid  34 and name ca ) (resid  34 and name c ) (resid  35 and name n ) (resid  35 and name ca )  1.0  180.0 10.0 2 

assign (resid  35 and name ca ) (resid  35 and name c ) (resid  36 and name n ) (resid  36 and name ca )  1.0  180.0 10.0 2 

assign (resid  36 and name ca ) (resid  36 and name c ) (resid  37 and name n ) (resid  37 and name ca )  1.0  180.0 10.0 2 

assign (resid  37 and name ca ) (resid  37 and name c ) (resid  38 and name n ) (resid  38 and name ca )  1.0  180.0 10.0 2 

assign (resid  38 and name ca ) (resid  38 and name c ) (resid  39 and name n ) (resid  39 and name ca )  1.0  180.0 10.0 2 

assign (resid  39 and name ca ) (resid  39 and name c ) (resid  40 and name n ) (resid  40 and name ca )  1.0  180.0 10.0 2 

assign (resid  40 and name ca ) (resid  40 and name c ) (resid  41 and name n ) (resid  41 and name ca )  1.0  180.0 10.0 2 

assign (resid  41 and name ca ) (resid  41 and name c ) (resid  42 and name n ) (resid  42 and name ca )  1.0  180.0 10.0 2 

assign (resid  42 and name ca ) (resid  42 and name c ) (resid  43 and name n ) (resid  43 and name ca )  1.0  180.0 10.0 2 

assign (resid  43 and name ca ) (resid  43 and name c ) (resid  44 and name n ) (resid  44 and name ca )  1.0  180.0 10.0 2 

assign (resid  44 and name ca ) (resid  44 and name c ) (resid  45 and name n ) (resid  45 and name ca )  1.0  180.0 10.0 2 

assign (resid  45 and name ca ) (resid  45 and name c ) (resid  46 and name n ) (resid  46 and name ca )  1.0  180.0 10.0 2 

!

! planar Arg side chain restraints

assign (resid  35 and name cd ) (resid  35 and name ne ) (resid  35 and name cz ) (resid  35 and name nh1 )  1.0  180.0 10.0 2 

!

! sidechain chi1 restraints

 assign (resid  11 and name n ) (resid  11 and name ca ) (resid  11 and name cb ) (resid  11 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  13 and name n ) (resid  13 and name ca ) (resid  13 and name cb ) (resid  13 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  17 and name n ) (resid  17 and name ca ) (resid  17 and name cb ) (resid  17 and name sg )   1.0  180.0 20.0 2 

 assign (resid  19 and name n ) (resid  19 and name ca ) (resid  19 and name cb ) (resid  19 and name cg )   1.0   60.0 20.0 2 

 assign (resid  20 and name n ) (resid  20 and name ca ) (resid  20 and name cb ) (resid  20 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  26 and name n ) (resid  26 and name ca ) (resid  26 and name cb ) (resid  26 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  27 and name n ) (resid  27 and name ca ) (resid  27 and name cb ) (resid  27 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  28 and name n ) (resid  28 and name ca ) (resid  28 and name cb ) (resid  28 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  32 and name n ) (resid  32 and name ca ) (resid  32 and name cb ) (resid  32 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  36 and name n ) (resid  36 and name ca ) (resid  36 and name cb ) (resid  36 and name cg )   1.0  -60.0 20.0 2 

 assign (resid  37 and name n ) (resid  37 and name ca ) (resid  37 and name cb ) (resid  37 and name sg )   1.0  -60.0 20.0 2 

 assign (resid  38 and name n ) (resid  38 and name ca ) (resid  38 and name cb ) (resid  38 and name cg )   1.0   60.0 20.0 2 

 assign (resid  41 and name n ) (resid  41 and name ca ) (resid  41 and name cb ) (resid  41 and name cg )   1.0  -60.0 20.0 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  -1.581 -21.190  -9.571
    2   2H    SER  45          2H        SER  45  -0.287 -21.221 -10.670
    3   3H    SER  45          3H        SER  45  -0.611 -19.814  -9.774
    4    HA   SER  45           HA       SER  45  -1.414 -19.502 -12.017
    5   1HB   SER  45          1HB       SER  45  -1.534 -22.003 -12.339
    6   2HB   SER  45          2HB       SER  45  -3.034 -21.997 -11.416
    7    HG   SER  45           HG       SER  45  -2.521 -21.190 -13.996
    8    H    ASP  46           H        ASP  46  -2.603 -17.695 -11.554
    9    HA   ASP  46           HA       ASP  46  -5.327 -17.942 -10.506
   10   1HB   ASP  46          1HB       ASP  46  -4.851 -16.540  -8.502
   11   2HB   ASP  46          2HB       ASP  46  -3.976 -18.069  -8.456
   12    H    GLY  47           H        GLY  47  -4.635 -16.961 -12.948
   13   1HA   GLY  47          1HA       GLY  47  -5.246 -15.081 -14.257
   14   2HA   GLY  47          2HA       GLY  47  -5.468 -14.157 -12.769
   15    H    ASP  48           H        ASP  48  -3.300 -14.894 -15.341
   16    HA   ASP  48           HA       ASP  48  -0.942 -13.713 -14.000
   17   1HB   ASP  48          1HB       ASP  48  -1.605 -15.329 -16.370
   18   2HB   ASP  48          2HB       ASP  48  -0.364 -14.116 -16.681
   19    H    GLN  49           H        GLN  49  -2.078 -11.567 -13.724
   20    HA   GLN  49           HA       GLN  49  -2.588  -9.999 -16.177
   21   1HB   GLN  49          1HB       GLN  49  -2.684  -9.365 -13.208
   22   2HB   GLN  49          2HB       GLN  49  -3.256  -8.290 -14.484
   23   1HG   GLN  49          1HG       GLN  49  -4.290 -11.107 -14.050
   24   2HG   GLN  49          2HG       GLN  49  -5.086  -9.656 -13.439
   25   1HE2  GLN  49          2HE2      GLN  49  -4.177 -11.363 -16.436
   26   2HE2  GLN  49          1HE2      GLN  49  -5.256 -10.520 -17.439
   27    H    CYS  50           H        CYS  50  -0.194 -10.203 -13.570
   28    HA   CYS  50           HA       CYS  50   1.289  -7.836 -14.480
   29   1HB   CYS  50          1HB       CYS  50   1.076  -8.567 -12.106
   30   2HB   CYS  50          2HB       CYS  50   1.966 -10.038 -12.501
   31    H    ALA  51           H        ALA  51   1.350 -11.290 -15.062
   32    HA   ALA  51           HA       ALA  51   4.032 -11.708 -15.865
   33   1HB   ALA  51          1HB       ALA  51   1.763 -13.174 -15.694
   34   2HB   ALA  51          2HB       ALA  51   1.852 -12.974 -17.444
   35   3HB   ALA  51          3HB       ALA  51   3.189 -13.726 -16.573
   36    H    SER  52           H        SER  52   1.503  -9.899 -17.460
   37    HA   SER  52           HA       SER  52   2.849  -9.948 -20.089
   38   1HB   SER  52          1HB       SER  52   0.271  -9.816 -19.289
   39   2HB   SER  52          2HB       SER  52   0.608  -8.096 -19.463
   40    HG   SER  52           HG       SER  52   0.984 -10.135 -21.407
   41    H    SER  53           H        SER  53   3.458  -8.278 -17.262
   42    HA   SER  53           HA       SER  53   4.536  -6.239 -16.767
   43   1HB   SER  53          1HB       SER  53   5.393  -6.747 -19.633
   44   2HB   SER  53          2HB       SER  53   6.174  -5.597 -18.552
   45    HG   SER  53           HG       SER  53   7.301  -7.448 -18.299
   46    HA   PRO  54           HA       PRO  54   1.387  -3.894 -19.418
   47   1HB   PRO  54          1HB       PRO  54  -0.563  -3.508 -17.538
   48   2HB   PRO  54          2HB       PRO  54  -0.538  -4.907 -18.630
   49   1HG   PRO  54          1HG       PRO  54   0.284  -4.719 -15.779
   50   2HG   PRO  54          2HG       PRO  54  -0.542  -6.030 -16.633
   51   1HD   PRO  54          1HD       PRO  54   2.121  -6.057 -16.019
   52   2HD   PRO  54          2HD       PRO  54   1.411  -6.945 -17.385
   53    H    CYS  55           H        CYS  55   2.636  -3.583 -16.149
   54    HA   CYS  55           HA       CYS  55   2.056  -0.841 -15.623
   55   1HB   CYS  55          1HB       CYS  55   4.443  -2.558 -14.856
   56   2HB   CYS  55          2HB       CYS  55   3.975  -1.058 -14.055
   57    H    GLN  56           H        GLN  56   2.498   0.676 -17.214
   58    HA   GLN  56           HA       GLN  56   4.953   0.551 -18.831
   59   1HB   GLN  56          1HB       GLN  56   2.407   1.445 -19.202
   60   2HB   GLN  56          2HB       GLN  56   3.221   2.958 -18.807
   61   1HG   GLN  56          1HG       GLN  56   3.612   2.918 -21.077
   62   2HG   GLN  56          2HG       GLN  56   5.023   2.011 -20.531
   63   1HE2  GLN  56          2HE2      GLN  56   1.559   1.308 -21.309
   64   2HE2  GLN  56          1HE2      GLN  56   1.892  -0.130 -22.145
   65    H    ASN  57           H        ASN  57   5.572   3.261 -19.050
   66    HA   ASN  57           HA       ASN  57   6.967   4.897 -18.083
   67   1HB   ASN  57          1HB       ASN  57   5.256   4.266 -15.658
   68   2HB   ASN  57          2HB       ASN  57   6.133   5.763 -15.954
   69   1HD2  ASN  57          2HD2      ASN  57   5.395   5.809 -18.877
   70   2HD2  ASN  57          1HD2      ASN  57   3.755   6.236 -18.919
   71    H    GLY  58           H        GLY  58   7.622   1.895 -17.701
   72   1HA   GLY  58          1HA       GLY  58   9.323   0.663 -16.659
   73   2HA   GLY  58          2HA       GLY  58  10.058   2.217 -16.269
   74    H    GLY  59           H        GLY  59   6.849   1.217 -15.197
   75   1HA   GLY  59          1HA       GLY  59   7.641   1.693 -12.406
   76   2HA   GLY  59          2HA       GLY  59   6.013   1.315 -12.973
   77    H    SER  60           H        SER  60   6.995   0.020 -10.725
   78    HA   SER  60           HA       SER  60   8.041  -2.625 -11.546
   79   1HB   SER  60          1HB       SER  60   8.186  -0.959  -9.289
   80   2HB   SER  60          2HB       SER  60   7.186  -2.313  -8.772
   81    HG   SER  60           HG       SER  60   9.692  -2.529 -10.097
   82    H    CYS  61           H        CYS  61   6.664  -4.265 -12.069
   83    HA   CYS  61           HA       CYS  61   3.768  -3.994 -11.532
   84   1HB   CYS  61          1HB       CYS  61   4.703  -4.634 -13.748
   85   2HB   CYS  61          2HB       CYS  61   5.401  -6.079 -13.017
   86    H    LYS  62           H        LYS  62   2.739  -5.089  -9.918
   87    HA   LYS  62           HA       LYS  62   4.121  -7.430  -8.652
   88   1HB   LYS  62          1HB       LYS  62   3.969  -4.938  -7.563
   89   2HB   LYS  62          2HB       LYS  62   2.469  -5.638  -6.956
   90   1HG   LYS  62          1HG       LYS  62   4.095  -7.703  -6.442
   91   2HG   LYS  62          2HG       LYS  62   5.291  -6.408  -6.371
   92   1HD   LYS  62          1HD       LYS  62   3.921  -5.207  -4.723
   93   2HD   LYS  62          2HD       LYS  62   2.692  -6.469  -4.810
   94   1HE   LYS  62          1HE       LYS  62   4.116  -8.083  -3.793
   95   2HE   LYS  62          2HE       LYS  62   5.561  -7.086  -4.059
   96   1HZ   LYS  62          1HZ       LYS  62   3.238  -6.312  -2.373
   97   2HZ   LYS  62          2HZ       LYS  62   4.725  -6.879  -1.777
   98   3HZ   LYS  62          3HZ       LYS  62   4.654  -5.402  -2.607
   99    H    ASP  63           H        ASP  63   2.732  -9.144  -8.189
  100    HA   ASP  63           HA       ASP  63   0.015  -9.037  -9.296
  101   1HB   ASP  63          1HB       ASP  63   0.069 -11.453  -8.727
  102   2HB   ASP  63          2HB       ASP  63   1.519 -10.967  -9.603
  103    H    GLN  64           H        GLN  64  -1.878  -8.907  -8.111
  104    HA   GLN  64           HA       GLN  64  -1.699  -9.077  -5.124
  105   1HB   GLN  64          1HB       GLN  64  -2.822  -6.899  -6.900
  106   2HB   GLN  64          2HB       GLN  64  -3.297  -7.055  -5.208
  107   1HG   GLN  64          1HG       GLN  64  -0.419  -6.843  -6.131
  108   2HG   GLN  64          2HG       GLN  64  -1.379  -5.464  -5.589
  109   1HE2  GLN  64          2HE2      GLN  64  -2.009  -5.393  -3.302
  110   2HE2  GLN  64          1HE2      GLN  64  -1.230  -6.365  -2.149
  111    H    LEU  65           H        LEU  65  -2.649 -11.276  -5.840
  112    HA   LEU  65           HA       LEU  65  -4.504 -12.724  -6.040
  113   1HB   LEU  65          1HB       LEU  65  -5.019 -10.670  -4.196
  114   2HB   LEU  65          2HB       LEU  65  -6.481 -10.754  -5.174
  115    HG   LEU  65           HG       LEU  65  -6.653 -12.266  -3.247
  116   1HD1  LEU  65          1HD1      LEU  65  -7.637 -12.888  -5.493
  117   2HD1  LEU  65          2HD1      LEU  65  -6.217 -13.900  -5.761
  118   3HD1  LEU  65          3HD1      LEU  65  -7.316 -14.257  -4.428
  119   1HD2  LEU  65          1HD2      LEU  65  -3.939 -13.014  -4.150
  120   2HD2  LEU  65          2HD2      LEU  65  -4.650 -13.089  -2.540
  121   3HD2  LEU  65          3HD2      LEU  65  -4.962 -14.379  -3.701
  122    H    GLN  66           H        GLN  66  -4.707 -12.932  -8.300
  123    HA   GLN  66           HA       GLN  66  -5.771 -12.758 -10.392
  124   1HB   GLN  66          1HB       GLN  66  -7.683 -12.092  -8.356
  125   2HB   GLN  66          2HB       GLN  66  -7.964 -11.029  -9.734
  126   1HG   GLN  66          1HG       GLN  66  -7.794 -13.174 -11.171
  127   2HG   GLN  66          2HG       GLN  66  -8.008 -14.044  -9.652
  128   1HE2  GLN  66          2HE2      GLN  66 -10.107 -14.021  -8.670
  129   2HE2  GLN  66          1HE2      GLN  66 -11.455 -13.292  -9.400
  130    H    SER  67           H        SER  67  -6.757  -9.580  -9.105
  131    HA   SER  67           HA       SER  67  -5.993  -8.131 -11.449
  132   1HB   SER  67          1HB       SER  67  -6.509  -6.206 -10.092
  133   2HB   SER  67          2HB       SER  67  -7.597  -7.493  -9.580
  134    HG   SER  67           HG       SER  67  -5.592  -6.222  -8.218
  135    H    TYR  68           H        TYR  68  -4.444  -5.999 -10.627
  136    HA   TYR  68           HA       TYR  68  -1.915  -7.063  -9.494
  137   1HB   TYR  68          1HB       TYR  68  -0.681  -6.319 -11.534
  138   2HB   TYR  68          2HB       TYR  68  -1.834  -7.604 -11.887
  139    HD1  TYR  68           HD1      TYR  68  -3.968  -7.102 -13.042
  140    HD2  TYR  68           HD2      TYR  68  -1.001  -4.070 -12.369
  141    HE1  TYR  68           HE1      TYR  68  -5.086  -5.639 -14.703
  142    HE2  TYR  68           HE2      TYR  68  -2.119  -2.608 -14.029
  143    HH   TYR  68           HH       TYR  68  -5.238  -3.218 -15.210
  144    H    ILE  69           H        ILE  69  -0.236  -5.177  -9.509
  145    HA   ILE  69           HA       ILE  69  -1.528  -2.503  -9.269
  146    HB   ILE  69           HB       ILE  69  -1.633  -3.610  -7.066
  147   1HG1  ILE  69          1HG1      ILE  69   0.573  -1.529  -7.104
  148   2HG1  ILE  69          2HG1      ILE  69  -1.145  -1.151  -7.240
  149   1HG2  ILE  69          1HG2      ILE  69   0.386  -5.097  -7.572
  150   2HG2  ILE  69          2HG2      ILE  69   1.389  -3.718  -7.124
  151   3HG2  ILE  69          3HG2      ILE  69   0.300  -4.439  -5.939
  152   1HD1  ILE  69          1HD1      ILE  69  -1.221  -2.712  -5.043
  153   2HD1  ILE  69          2HD1      ILE  69   0.412  -2.067  -4.877
  154   3HD1  ILE  69          3HD1      ILE  69  -0.965  -0.968  -4.960
  155    H    CYS  70           H        CYS  70  -0.261  -1.117 -10.427
  156    HA   CYS  70           HA       CYS  70   2.534  -1.850 -11.065
  157   1HB   CYS  70          1HB       CYS  70   0.623   0.332 -11.947
  158   2HB   CYS  70          2HB       CYS  70   2.269   0.179 -12.561
  159    H    PHE  71           H        PHE  71   4.290  -0.852 -10.148
  160    HA   PHE  71           HA       PHE  71   3.796   1.309  -8.144
  161   1HB   PHE  71          1HB       PHE  71   5.906  -0.790  -8.632
  162   2HB   PHE  71          2HB       PHE  71   6.246   0.585  -7.582
  163    HD1  PHE  71           HD1      PHE  71   4.633   1.058  -5.646
  164    HD2  PHE  71           HD2      PHE  71   4.655  -2.633  -7.842
  165    HE1  PHE  71           HE1      PHE  71   3.409  -0.051  -3.795
  166    HE2  PHE  71           HE2      PHE  71   3.431  -3.741  -5.992
  167    HZ   PHE  71           HZ       PHE  71   2.808  -2.450  -3.968
  168    H    CYS  72           H        CYS  72   3.556   2.617 -10.328
  169    HA   CYS  72           HA       CYS  72   6.036   3.272 -11.737
  170   1HB   CYS  72          1HB       CYS  72   3.235   4.431 -11.708
  171   2HB   CYS  72          2HB       CYS  72   4.492   4.913 -12.851
  172    H    LEU  73           H        LEU  73   6.031   5.960 -12.023
  173    HA   LEU  73           HA       LEU  73   7.117   6.921  -9.489
  174   1HB   LEU  73          1HB       LEU  73   7.019   7.653 -12.328
  175   2HB   LEU  73          2HB       LEU  73   6.913   9.059 -11.268
  176    HG   LEU  73           HG       LEU  73   8.923   8.112 -10.025
  177   1HD1  LEU  73          1HD1      LEU  73   8.818   6.260 -12.415
  178   2HD1  LEU  73          2HD1      LEU  73  10.311   6.552 -11.522
  179   3HD1  LEU  73          3HD1      LEU  73   8.924   5.828 -10.707
  180   1HD2  LEU  73          1HD2      LEU  73   9.002   9.050 -12.888
  181   2HD2  LEU  73          2HD2      LEU  73   9.395   9.948 -11.421
  182   3HD2  LEU  73          3HD2      LEU  73  10.498   8.708 -12.017
  183    HA   PRO  74           HA       PRO  74   3.541   8.874  -7.844
  184   1HB   PRO  74          1HB       PRO  74   4.539  11.228  -6.848
  185   2HB   PRO  74          2HB       PRO  74   4.798   9.650  -6.075
  186   1HG   PRO  74          1HG       PRO  74   6.613  11.194  -7.875
  187   2HG   PRO  74          2HG       PRO  74   6.989  10.312  -6.384
  188   1HD   PRO  74          1HD       PRO  74   7.500   9.274  -8.813
  189   2HD   PRO  74          2HD       PRO  74   6.999   8.257  -7.442
  190    H    ALA  75           H        ALA  75   5.308  10.369 -10.407
  191    HA   ALA  75           HA       ALA  75   3.272  12.504 -10.787
  192   1HB   ALA  75          1HB       ALA  75   5.871  11.813 -12.197
  193   2HB   ALA  75          2HB       ALA  75   4.901  13.252 -12.514
  194   3HB   ALA  75          3HB       ALA  75   5.670  13.035 -10.941
  195    H    PHE  76           H        PHE  76   2.964   9.417 -11.327
  196    HA   PHE  76           HA       PHE  76   2.040   9.707 -14.173
  197   1HB   PHE  76          1HB       PHE  76   3.251   7.378 -12.657
  198   2HB   PHE  76          2HB       PHE  76   2.558   7.232 -14.272
  199    HD1  PHE  76           HD1      PHE  76   5.077   9.194 -12.324
  200    HD2  PHE  76           HD2      PHE  76   3.863   7.709 -16.164
  201    HE1  PHE  76           HE1      PHE  76   7.205  10.000 -13.306
  202    HE2  PHE  76           HE2      PHE  76   5.996   8.508 -17.148
  203    HZ   PHE  76           HZ       PHE  76   7.667   9.655 -15.715
  204    H    GLU  77           H        GLU  77   0.136   8.359 -14.700
  205    HA   GLU  77           HA       GLU  77  -1.462   7.350 -12.411
  206   1HB   GLU  77          1HB       GLU  77  -1.700   9.946 -13.196
  207   2HB   GLU  77          2HB       GLU  77  -2.882   9.184 -14.261
  208   1HG   GLU  77          1HG       GLU  77  -4.242   9.502 -12.437
  209   2HG   GLU  77          2HG       GLU  77  -3.544   7.953 -11.966
  210    H    GLY  78           H        GLY  78  -3.593   6.400 -13.314
  211   1HA   GLY  78          1HA       GLY  78  -4.769   5.506 -15.300
  212   2HA   GLY  78          2HA       GLY  78  -3.194   5.326 -16.075
  213    H    ARG  79           H        ARG  79  -5.274   3.264 -15.508
  214    HA   ARG  79           HA       ARG  79  -4.565   1.556 -13.339
  215   1HB   ARG  79          1HB       ARG  79  -6.595   1.401 -14.777
  216   2HB   ARG  79          2HB       ARG  79  -5.582   0.854 -16.114
  217   1HG   ARG  79          1HG       ARG  79  -6.151  -1.212 -15.298
  218   2HG   ARG  79          2HG       ARG  79  -4.790  -0.898 -14.220
  219   1HD   ARG  79          1HD       ARG  79  -6.798   0.360 -12.858
  220   2HD   ARG  79          2HD       ARG  79  -7.687  -0.981 -13.608
  221    HE   ARG  79           HE       ARG  79  -5.323  -2.131 -12.656
  222   1HH1  ARG  79          1HH1      ARG  79  -7.721  -0.098 -11.150
  223   2HH1  ARG  79          2HH1      ARG  79  -7.699  -0.989  -9.668
  224   1HH2  ARG  79          1HH2      ARG  79  -5.420  -3.347 -10.766
  225   2HH2  ARG  79          2HH2      ARG  79  -6.410  -2.810  -9.450
  226    H    ASN  80           H        ASN  80  -3.396   1.594 -16.714
  227    HA   ASN  80           HA       ASN  80  -1.248  -0.348 -15.983
  228   1HB   ASN  80          1HB       ASN  80  -2.429   0.678 -18.580
  229   2HB   ASN  80          2HB       ASN  80  -1.028  -0.391 -18.523
  230   1HD2  ASN  80          2HD2      ASN  80  -1.692  -2.208 -16.532
  231   2HD2  ASN  80          1HD2      ASN  80  -3.113  -3.041 -16.941
  232    H    CYS  81           H        CYS  81  -1.318   2.620 -15.302
  233    HA   CYS  81           HA       CYS  81   0.161   4.453 -15.301
  234   1HB   CYS  81          1HB       CYS  81   1.851   2.042 -15.930
  235   2HB   CYS  81          2HB       CYS  81   2.585   3.640 -15.847
  236    H    GLU  82           H        GLU  82  -1.377   4.519 -17.547
  237    HA   GLU  82           HA       GLU  82   0.533   5.013 -19.806
  238   1HB   GLU  82          1HB       GLU  82  -1.511   4.722 -21.210
  239   2HB   GLU  82          2HB       GLU  82  -1.182   3.307 -20.213
  240   1HG   GLU  82          1HG       GLU  82  -3.042   3.622 -18.914
  241   2HG   GLU  82          2HG       GLU  82  -2.924   5.380 -18.986
  242    H    THR  83           H        THR  83  -0.357   6.841 -17.453
  243    HA   THR  83           HA       THR  83  -1.075   9.178 -19.177
  244    HB   THR  83           HB       THR  83  -2.335   8.430 -16.518
  245    HG1  THR  83           HG1      THR  83  -3.592   7.277 -17.713
  246   1HG2  THR  83          1HG2      THR  83  -2.198  10.862 -16.944
  247   2HG2  THR  83          2HG2      THR  83  -2.993  10.627 -18.501
  248   3HG2  THR  83          3HG2      THR  83  -3.865  10.290 -17.005
  249    H    HIS  84           H        HIS  84   0.595  10.598 -18.885
  250    HA   HIS  84           HA       HIS  84   2.247  10.545 -16.449
  251   1HB   HIS  84          1HB       HIS  84   3.132  10.811 -18.768
  252   2HB   HIS  84          2HB       HIS  84   2.272  12.344 -18.895
  253    HD1  HIS  84           HD1      HIS  84   5.522  11.157 -18.183
  254    HD2  HIS  84           HD2      HIS  84   3.095  14.049 -16.417
  255    HE1  HIS  84           HE1      HIS  84   7.060  12.666 -16.853
  256    H    LYS  85           H        LYS  85   1.093  11.431 -14.715
  257    HA   LYS  85           HA       LYS  85  -0.333  14.019 -15.097
  258   1HB   LYS  85          1HB       LYS  85  -0.242  11.829 -13.026
  259   2HB   LYS  85          2HB       LYS  85  -0.947  13.398 -12.631
  260   1HG   LYS  85          1HG       LYS  85  -1.772  11.742 -15.031
  261   2HG   LYS  85          2HG       LYS  85  -2.617  11.711 -13.482
  262   1HD   LYS  85          1HD       LYS  85  -2.581  14.357 -13.826
  263   2HD   LYS  85          2HD       LYS  85  -2.479  13.889 -15.523
  264   1HE   LYS  85          1HE       LYS  85  -4.501  12.422 -13.906
  265   2HE   LYS  85          2HE       LYS  85  -4.847  14.132 -14.233
  266   1HZ   LYS  85          1HZ       LYS  85  -4.006  12.149 -16.280
  267   2HZ   LYS  85          2HZ       LYS  85  -5.605  12.670 -16.042
  268   3HZ   LYS  85          3HZ       LYS  85  -4.419  13.769 -16.563
  269    H    ASP  86           H        ASP  86   1.527  15.426 -15.233
  270    HA   ASP  86           HA       ASP  86   3.424  15.467 -12.947
  271   1HB   ASP  86          1HB       ASP  86   4.166  15.614 -15.324
  272   2HB   ASP  86          2HB       ASP  86   3.249  17.112 -15.493
  273    H    ASP  87           H        ASP  87   0.947  17.506 -14.492
  274    HA   ASP  87           HA       ASP  87   1.092  19.364 -12.141
  275   1HB   ASP  87          1HB       ASP  87   0.178  21.035 -13.749
  276   2HB   ASP  87          2HB       ASP  87   1.708  20.357 -14.303
  277    H    GLY  88           H        GLY  88  -1.042  17.516 -14.277
  278   1HA   GLY  88          1HA       GLY  88  -3.013  16.489 -13.032
  279   2HA   GLY  88          2HA       GLY  88  -3.318  18.118 -12.428
  280    H    SER  89           H        SER  89  -2.738  19.511 -14.860
  281    HA   SER  89           HA       SER  89  -3.869  20.281 -16.771
  282   1HB   SER  89          1HB       SER  89  -2.886  18.283 -17.718
  283   2HB   SER  89          2HB       SER  89  -4.145  17.270 -17.020
  284    HG   SER  89           HG       SER  89  -4.411  19.257 -19.031
  285    H    ALA  90           H        ALA  90  -6.049  17.490 -16.455
  286    HA   ALA  90           HA       ALA  90  -8.270  19.411 -15.858
  287   1HB   ALA  90          1HB       ALA  90  -7.868  17.070 -17.628
  288   2HB   ALA  90          2HB       ALA  90  -9.435  17.135 -16.822
  289   3HB   ALA  90          3HB       ALA  90  -8.914  18.474 -17.845
  Start of MODEL    2
    1   1H    SER  45          1H        SER  45  -9.431 -16.184 -10.086
    2   2H    SER  45          2H        SER  45 -10.160 -17.417 -11.001
    3   3H    SER  45          3H        SER  45  -8.842 -17.772  -9.990
    4    HA   SER  45           HA       SER  45  -8.030 -17.698 -12.231
    5   1HB   SER  45          1HB       SER  45  -9.516 -15.055 -12.192
    6   2HB   SER  45          2HB       SER  45  -8.464 -15.566 -13.509
    7    HG   SER  45           HG       SER  45  -9.927 -16.964 -14.135
    8    H    ASP  46           H        ASP  46  -6.837 -17.319  -9.743
    9    HA   ASP  46           HA       ASP  46  -5.329 -14.770  -9.796
   10   1HB   ASP  46          1HB       ASP  46  -5.345 -17.177  -7.945
   11   2HB   ASP  46          2HB       ASP  46  -4.460 -15.682  -7.640
   12    H    GLY  47           H        GLY  47  -4.745 -16.264 -12.072
   13   1HA   GLY  47          1HA       GLY  47  -2.451 -18.005 -11.679
   14   2HA   GLY  47          2HA       GLY  47  -3.014 -17.372 -13.227
   15    H    ASP  48           H        ASP  48  -1.941 -15.641 -14.113
   16    HA   ASP  48           HA       ASP  48  -0.069 -14.071 -12.396
   17   1HB   ASP  48          1HB       ASP  48   0.780 -16.211 -13.822
   18   2HB   ASP  48          2HB       ASP  48   0.899 -14.965 -15.065
   19    H    GLN  49           H        GLN  49  -0.878 -12.024 -12.714
   20    HA   GLN  49           HA       GLN  49  -2.004 -11.226 -15.331
   21   1HB   GLN  49          1HB       GLN  49  -1.705  -9.907 -12.616
   22   2HB   GLN  49          2HB       GLN  49  -2.489  -9.130 -13.994
   23   1HG   GLN  49          1HG       GLN  49  -4.314 -10.106 -12.918
   24   2HG   GLN  49          2HG       GLN  49  -3.888 -11.355 -14.089
   25   1HE2  GLN  49          2HE2      GLN  49  -2.514 -10.447 -10.869
   26   2HE2  GLN  49          1HE2      GLN  49  -2.608 -12.016 -10.228
   27    H    CYS  50           H        CYS  50   0.841 -10.623 -13.324
   28    HA   CYS  50           HA       CYS  50   1.847  -8.537 -15.181
   29   1HB   CYS  50          1HB       CYS  50   2.869  -9.744 -12.589
   30   2HB   CYS  50          2HB       CYS  50   3.640  -8.401 -13.432
   31    H    ALA  51           H        ALA  51   1.648 -10.961 -16.510
   32    HA   ALA  51           HA       ALA  51   4.248 -12.365 -16.373
   33   1HB   ALA  51          1HB       ALA  51   1.645 -12.670 -17.873
   34   2HB   ALA  51          2HB       ALA  51   3.053 -13.650 -18.281
   35   3HB   ALA  51          3HB       ALA  51   2.346 -13.750 -16.669
   36    H    SER  52           H        SER  52   2.544 -10.063 -18.446
   37    HA   SER  52           HA       SER  52   4.916 -10.020 -20.288
   38   1HB   SER  52          1HB       SER  52   2.910 -10.725 -21.409
   39   2HB   SER  52          2HB       SER  52   1.965  -9.444 -20.657
   40    HG   SER  52           HG       SER  52   2.445  -8.626 -22.602
   41    H    SER  53           H        SER  53   4.383  -8.473 -17.683
   42    HA   SER  53           HA       SER  53   4.633  -6.265 -16.879
   43   1HB   SER  53          1HB       SER  53   5.954  -5.916 -19.585
   44   2HB   SER  53          2HB       SER  53   6.314  -5.027 -18.108
   45    HG   SER  53           HG       SER  53   7.678  -6.943 -18.753
   46    HA   PRO  54           HA       PRO  54   1.145  -4.736 -19.583
   47   1HB   PRO  54          1HB       PRO  54  -0.712  -4.482 -17.590
   48   2HB   PRO  54          2HB       PRO  54  -0.475  -5.985 -18.503
   49   1HG   PRO  54          1HG       PRO  54   0.495  -5.248 -15.789
   50   2HG   PRO  54          2HG       PRO  54  -0.118  -6.797 -16.387
   51   1HD   PRO  54          1HD       PRO  54   2.534  -6.259 -16.043
   52   2HD   PRO  54          2HD       PRO  54   1.913  -7.421 -17.236
   53    H    CYS  55           H        CYS  55   2.483  -3.743 -16.484
   54    HA   CYS  55           HA       CYS  55   1.403  -1.108 -16.284
   55   1HB   CYS  55          1HB       CYS  55   4.115  -2.205 -15.462
   56   2HB   CYS  55          2HB       CYS  55   3.375  -0.738 -14.826
   57    H    GLN  56           H        GLN  56   2.584   0.947 -16.744
   58    HA   GLN  56           HA       GLN  56   4.440   0.746 -19.093
   59   1HB   GLN  56          1HB       GLN  56   1.907   1.300 -19.456
   60   2HB   GLN  56          2HB       GLN  56   2.335   2.882 -18.805
   61   1HG   GLN  56          1HG       GLN  56   3.592   3.450 -20.636
   62   2HG   GLN  56          2HG       GLN  56   4.132   1.793 -20.908
   63   1HE2  GLN  56          2HE2      GLN  56   0.866   3.343 -20.794
   64   2HE2  GLN  56          1HE2      GLN  56   0.354   2.702 -22.279
   65    H    ASN  57           H        ASN  57   5.370   3.103 -19.486
   66    HA   ASN  57           HA       ASN  57   6.820   4.776 -18.671
   67   1HB   ASN  57          1HB       ASN  57   4.413   4.791 -16.860
   68   2HB   ASN  57          2HB       ASN  57   5.737   5.924 -16.584
   69   1HD2  ASN  57          2HD2      ASN  57   2.978   6.571 -17.532
   70   2HD2  ASN  57          1HD2      ASN  57   3.172   7.323 -19.041
   71    H    GLY  58           H        GLY  58   7.568   2.131 -17.888
   72   1HA   GLY  58          1HA       GLY  58   9.029   1.060 -16.399
   73   2HA   GLY  58          2HA       GLY  58   9.430   2.668 -15.798
   74    H    GLY  59           H        GLY  59   6.198   1.234 -15.745
   75   1HA   GLY  59          1HA       GLY  59   6.053   1.708 -12.846
   76   2HA   GLY  59          2HA       GLY  59   4.726   1.167 -13.876
   77    H    SER  60           H        SER  60   5.821   0.069 -11.280
   78    HA   SER  60           HA       SER  60   6.894  -2.578 -12.061
   79   1HB   SER  60          1HB       SER  60   7.234  -0.879  -9.933
   80   2HB   SER  60          2HB       SER  60   6.082  -2.034  -9.270
   81    HG   SER  60           HG       SER  60   8.679  -2.451 -10.280
   82    H    CYS  61           H        CYS  61   5.594  -4.352 -12.325
   83    HA   CYS  61           HA       CYS  61   2.691  -4.100 -11.745
   84   1HB   CYS  61          1HB       CYS  61   3.841  -4.883 -13.942
   85   2HB   CYS  61          2HB       CYS  61   4.117  -6.398 -13.082
   86    H    LYS  62           H        LYS  62   1.685  -5.291 -10.154
   87    HA   LYS  62           HA       LYS  62   3.226  -7.476  -8.805
   88   1HB   LYS  62          1HB       LYS  62   2.292  -4.866  -7.796
   89   2HB   LYS  62          2HB       LYS  62   1.834  -6.228  -6.772
   90   1HG   LYS  62          1HG       LYS  62   4.388  -6.914  -7.230
   91   2HG   LYS  62          2HG       LYS  62   4.545  -5.167  -7.416
   92   1HD   LYS  62          1HD       LYS  62   3.389  -4.885  -5.207
   93   2HD   LYS  62          2HD       LYS  62   3.428  -6.638  -5.012
   94   1HE   LYS  62          1HE       LYS  62   5.934  -5.006  -5.522
   95   2HE   LYS  62          2HE       LYS  62   5.356  -5.404  -3.891
   96   1HZ   LYS  62          1HZ       LYS  62   5.248  -7.757  -4.612
   97   2HZ   LYS  62          2HZ       LYS  62   6.005  -7.317  -6.069
   98   3HZ   LYS  62          3HZ       LYS  62   6.829  -7.134  -4.599
   99    H    ASP  63           H        ASP  63   1.961  -9.272  -8.456
  100    HA   ASP  63           HA       ASP  63  -0.777  -9.353  -9.427
  101   1HB   ASP  63          1HB       ASP  63  -0.608 -11.714  -8.654
  102   2HB   ASP  63          2HB       ASP  63   0.803 -11.234  -9.594
  103    H    GLN  64           H        GLN  64  -2.663  -9.161  -8.249
  104    HA   GLN  64           HA       GLN  64  -2.445  -9.028  -5.260
  105   1HB   GLN  64          1HB       GLN  64  -3.726  -7.197  -7.283
  106   2HB   GLN  64          2HB       GLN  64  -4.318  -7.238  -5.621
  107   1HG   GLN  64          1HG       GLN  64  -1.375  -6.937  -6.169
  108   2HG   GLN  64          2HG       GLN  64  -2.439  -5.533  -6.238
  109   1HE2  GLN  64          2HE2      GLN  64  -4.175  -5.832  -4.160
  110   2HE2  GLN  64          1HE2      GLN  64  -3.356  -5.985  -2.680
  111    H    LEU  65           H        LEU  65  -3.137 -11.432  -6.037
  112    HA   LEU  65           HA       LEU  65  -4.825 -13.080  -6.043
  113   1HB   LEU  65          1HB       LEU  65  -5.742 -10.798  -4.367
  114   2HB   LEU  65          2HB       LEU  65  -6.963 -11.999  -4.788
  115    HG   LEU  65           HG       LEU  65  -5.033 -13.692  -4.088
  116   1HD1  LEU  65          1HD1      LEU  65  -4.365 -11.092  -2.699
  117   2HD1  LEU  65          2HD1      LEU  65  -3.894 -12.657  -2.036
  118   3HD1  LEU  65          3HD1      LEU  65  -3.285 -12.148  -3.610
  119   1HD2  LEU  65          1HD2      LEU  65  -7.021 -12.178  -2.420
  120   2HD2  LEU  65          2HD2      LEU  65  -7.041 -13.872  -2.910
  121   3HD2  LEU  65          3HD2      LEU  65  -5.944 -13.336  -1.637
  122    H    GLN  66           H        GLN  66  -5.404 -13.357  -8.209
  123    HA   GLN  66           HA       GLN  66  -6.705 -13.182 -10.174
  124   1HB   GLN  66          1HB       GLN  66  -8.337 -13.708  -8.258
  125   2HB   GLN  66          2HB       GLN  66  -8.768 -11.998  -8.305
  126   1HG   GLN  66          1HG       GLN  66  -8.960 -12.552 -10.933
  127   2HG   GLN  66          2HG       GLN  66  -9.334 -14.149 -10.283
  128   1HE2  GLN  66          2HE2      GLN  66 -10.725 -13.466  -7.925
  129   2HE2  GLN  66          1HE2      GLN  66 -12.150 -12.639  -8.332
  130    H    SER  67           H        SER  67  -5.094 -10.782  -9.258
  131    HA   SER  67           HA       SER  67  -6.087  -8.888 -11.240
  132   1HB   SER  67          1HB       SER  67  -7.646  -8.376  -9.472
  133   2HB   SER  67          2HB       SER  67  -6.363  -8.375  -8.265
  134    HG   SER  67           HG       SER  67  -7.137  -6.429 -10.054
  135    H    TYR  68           H        TYR  68  -4.709  -6.733 -10.937
  136    HA   TYR  68           HA       TYR  68  -2.002  -7.382  -9.845
  137   1HB   TYR  68          1HB       TYR  68  -1.041  -6.522 -11.979
  138   2HB   TYR  68          2HB       TYR  68  -2.042  -7.950 -12.233
  139    HD1  TYR  68           HD1      TYR  68  -1.842  -4.282 -12.632
  140    HD2  TYR  68           HD2      TYR  68  -4.176  -7.809 -13.388
  141    HE1  TYR  68           HE1      TYR  68  -3.266  -3.003 -14.206
  142    HE2  TYR  68           HE2      TYR  68  -5.600  -6.528 -14.963
  143    HH   TYR  68           HH       TYR  68  -5.276  -4.403 -16.419
  144    H    ILE  69           H        ILE  69  -0.600  -5.313  -9.953
  145    HA   ILE  69           HA       ILE  69  -2.159  -2.794  -9.740
  146    HB   ILE  69           HB       ILE  69  -2.197  -3.870  -7.515
  147   1HG1  ILE  69          1HG1      ILE  69  -0.158  -1.679  -7.270
  148   2HG1  ILE  69          2HG1      ILE  69  -1.743  -1.310  -7.951
  149   1HG2  ILE  69          1HG2      ILE  69   0.286  -4.841  -8.185
  150   2HG2  ILE  69          2HG2      ILE  69   0.698  -3.563  -7.043
  151   3HG2  ILE  69          3HG2      ILE  69  -0.392  -4.862  -6.558
  152   1HD1  ILE  69          1HD1      ILE  69  -2.515  -2.742  -5.797
  153   2HD1  ILE  69          2HD1      ILE  69  -1.007  -2.071  -5.173
  154   3HD1  ILE  69          3HD1      ILE  69  -2.282  -0.995  -5.746
  155    H    CYS  70           H        CYS  70  -1.009  -1.381 -10.991
  156    HA   CYS  70           HA       CYS  70   1.863  -1.845 -11.505
  157   1HB   CYS  70          1HB       CYS  70  -0.294  -0.012 -12.561
  158   2HB   CYS  70          2HB       CYS  70   1.391   0.177 -13.043
  159    H    PHE  71           H        PHE  71   3.485  -0.642 -10.601
  160    HA   PHE  71           HA       PHE  71   2.747   1.515  -8.679
  161   1HB   PHE  71          1HB       PHE  71   5.115  -0.289  -9.168
  162   2HB   PHE  71          2HB       PHE  71   5.284   1.146  -8.158
  163    HD1  PHE  71           HD1      PHE  71   3.937   1.388  -6.080
  164    HD2  PHE  71           HD2      PHE  71   3.866  -2.211  -8.422
  165    HE1  PHE  71           HE1      PHE  71   2.916   0.171  -4.177
  166    HE2  PHE  71           HE2      PHE  71   2.844  -3.430  -6.518
  167    HZ   PHE  71           HZ       PHE  71   2.369  -2.239  -4.396
  168    H    CYS  72           H        CYS  72   2.402   3.249 -10.170
  169    HA   CYS  72           HA       CYS  72   4.261   3.910 -12.293
  170   1HB   CYS  72          1HB       CYS  72   2.197   5.621 -10.865
  171   2HB   CYS  72          2HB       CYS  72   2.878   5.932 -12.458
  172    H    LEU  73           H        LEU  73   5.294   6.175 -12.302
  173    HA   LEU  73           HA       LEU  73   7.128   6.397 -10.035
  174   1HB   LEU  73          1HB       LEU  73   6.646   7.741 -12.687
  175   2HB   LEU  73          2HB       LEU  73   7.745   8.492 -11.539
  176    HG   LEU  73           HG       LEU  73   8.976   7.036 -13.093
  177   1HD1  LEU  73          1HD1      LEU  73   9.580   7.233 -10.597
  178   2HD1  LEU  73          2HD1      LEU  73   8.906   5.612 -10.434
  179   3HD1  LEU  73          3HD1      LEU  73  10.287   5.891 -11.493
  180   1HD2  LEU  73          1HD2      LEU  73   6.912   5.479 -13.341
  181   2HD2  LEU  73          2HD2      LEU  73   8.514   4.742 -13.377
  182   3HD2  LEU  73          3HD2      LEU  73   7.540   4.664 -11.909
  183    HA   PRO  74           HA       PRO  74   5.050   9.509  -7.715
  184   1HB   PRO  74          1HB       PRO  74   6.948  11.437  -7.252
  185   2HB   PRO  74          2HB       PRO  74   6.929   9.866  -6.424
  186   1HG   PRO  74          1HG       PRO  74   8.548  10.748  -8.770
  187   2HG   PRO  74          2HG       PRO  74   9.034   9.789  -7.361
  188   1HD   PRO  74          1HD       PRO  74   8.503   8.661  -9.747
  189   2HD   PRO  74          2HD       PRO  74   8.147   7.836  -8.213
  190    H    ALA  75           H        ALA  75   6.405  10.328 -10.783
  191    HA   ALA  75           HA       ALA  75   4.812  12.865 -10.873
  192   1HB   ALA  75          1HB       ALA  75   7.410  12.684 -11.234
  193   2HB   ALA  75          2HB       ALA  75   6.960  12.070 -12.825
  194   3HB   ALA  75          3HB       ALA  75   6.459  13.686 -12.331
  195    H    PHE  76           H        PHE  76   3.956   9.947 -11.371
  196    HA   PHE  76           HA       PHE  76   2.844  10.395 -14.120
  197   1HB   PHE  76          1HB       PHE  76   4.226   8.023 -12.877
  198   2HB   PHE  76          2HB       PHE  76   3.080   7.789 -14.196
  199    HD1  PHE  76           HD1      PHE  76   6.120   9.756 -13.245
  200    HD2  PHE  76           HD2      PHE  76   3.754   8.098 -16.424
  201    HE1  PHE  76           HE1      PHE  76   7.866  10.404 -14.883
  202    HE2  PHE  76           HE2      PHE  76   5.500   8.745 -18.061
  203    HZ   PHE  76           HZ       PHE  76   7.556   9.897 -17.291
  204    H    GLU  77           H        GLU  77   0.852   9.013 -14.475
  205    HA   GLU  77           HA       GLU  77  -0.569   8.157 -12.011
  206   1HB   GLU  77          1HB       GLU  77  -0.788  10.727 -12.856
  207   2HB   GLU  77          2HB       GLU  77  -2.069   9.983 -13.814
  208   1HG   GLU  77          1HG       GLU  77  -2.619   8.835 -11.453
  209   2HG   GLU  77          2HG       GLU  77  -1.859  10.312 -10.859
  210    H    GLY  78           H        GLY  78  -2.844   7.301 -12.723
  211   1HA   GLY  78          1HA       GLY  78  -4.189   6.380 -14.583
  212   2HA   GLY  78          2HA       GLY  78  -2.681   6.084 -15.449
  213    H    ARG  79           H        ARG  79  -4.771   4.139 -14.749
  214    HA   ARG  79           HA       ARG  79  -4.052   2.487 -12.529
  215   1HB   ARG  79          1HB       ARG  79  -6.149   2.438 -13.943
  216   2HB   ARG  79          2HB       ARG  79  -5.207   1.649 -15.208
  217   1HG   ARG  79          1HG       ARG  79  -6.202  -0.145 -14.025
  218   2HG   ARG  79          2HG       ARG  79  -4.557  -0.069 -13.393
  219   1HD   ARG  79          1HD       ARG  79  -6.017  -0.250 -11.478
  220   2HD   ARG  79          2HD       ARG  79  -5.495   1.446 -11.539
  221    HE   ARG  79           HE       ARG  79  -7.721   1.542 -13.088
  222   1HH1  ARG  79          1HH1      ARG  79  -7.096   0.403  -9.855
  223   2HH1  ARG  79          2HH1      ARG  79  -8.768   0.419  -9.411
  224   1HH2  ARG  79          1HH2      ARG  79  -9.897   1.419 -12.523
  225   2HH2  ARG  79          2HH2      ARG  79 -10.339   0.990 -10.905
  226    H    ASN  80           H        ASN  80  -3.039   2.366 -15.954
  227    HA   ASN  80           HA       ASN  80  -0.938   0.361 -15.230
  228   1HB   ASN  80          1HB       ASN  80  -2.397   1.168 -17.748
  229   2HB   ASN  80          2HB       ASN  80  -0.909   0.223 -17.829
  230   1HD2  ASN  80          2HD2      ASN  80  -0.929  -1.858 -16.453
  231   2HD2  ASN  80          1HD2      ASN  80  -2.401  -2.691 -16.316
  232    H    CYS  81           H        CYS  81  -0.807   3.324 -14.736
  233    HA   CYS  81           HA       CYS  81   0.757   5.077 -14.953
  234   1HB   CYS  81          1HB       CYS  81   2.451   2.830 -16.099
  235   2HB   CYS  81          2HB       CYS  81   3.050   4.332 -15.405
  236    H    GLU  82           H        GLU  82  -1.079   5.147 -16.969
  237    HA   GLU  82           HA       GLU  82   0.534   5.599 -19.459
  238   1HB   GLU  82          1HB       GLU  82  -1.627   5.170 -20.621
  239   2HB   GLU  82          2HB       GLU  82  -1.139   3.806 -19.616
  240   1HG   GLU  82          1HG       GLU  82  -2.705   4.385 -17.904
  241   2HG   GLU  82          2HG       GLU  82  -3.010   5.966 -18.621
  242    H    THR  83           H        THR  83  -0.078   7.470 -17.109
  243    HA   THR  83           HA       THR  83  -1.144   9.715 -18.766
  244    HB   THR  83           HB       THR  83  -2.002   8.981 -15.948
  245    HG1  THR  83           HG1      THR  83  -3.436   8.889 -18.390
  246   1HG2  THR  83          1HG2      THR  83  -2.733  11.225 -17.832
  247   2HG2  THR  83          2HG2      THR  83  -3.779  10.748 -16.495
  248   3HG2  THR  83          3HG2      THR  83  -2.150  11.343 -16.172
  249    H    HIS  84           H        HIS  84   0.740  10.934 -18.823
  250    HA   HIS  84           HA       HIS  84   2.545  11.147 -16.527
  251   1HB   HIS  84          1HB       HIS  84   2.872  11.296 -19.174
  252   2HB   HIS  84          2HB       HIS  84   2.592  13.011 -18.869
  253    HD1  HIS  84           HD1      HIS  84   5.395  11.911 -19.741
  254    HD2  HIS  84           HD2      HIS  84   4.261  12.634 -15.795
  255    HE1  HIS  84           HE1      HIS  84   7.536  12.238 -18.428
  256    H    LYS  85           H        LYS  85   2.346  12.630 -14.900
  257    HA   LYS  85           HA       LYS  85   0.258  14.727 -15.089
  258   1HB   LYS  85          1HB       LYS  85   1.951  13.462 -12.940
  259   2HB   LYS  85          2HB       LYS  85   1.070  14.956 -12.617
  260   1HG   LYS  85          1HG       LYS  85  -0.454  12.770 -13.942
  261   2HG   LYS  85          2HG       LYS  85  -0.029  12.524 -12.248
  262   1HD   LYS  85          1HD       LYS  85  -1.109  15.202 -12.964
  263   2HD   LYS  85          2HD       LYS  85  -2.249  13.856 -13.009
  264   1HE   LYS  85          1HE       LYS  85  -2.288  14.794 -10.761
  265   2HE   LYS  85          2HE       LYS  85  -1.449  13.231 -10.675
  266   1HZ   LYS  85          1HZ       LYS  85  -0.047  15.803 -11.150
  267   2HZ   LYS  85          2HZ       LYS  85  -0.243  15.133  -9.601
  268   3HZ   LYS  85          3HZ       LYS  85   0.646  14.295 -10.778
  269    H    ASP  86           H        ASP  86   3.760  14.394 -14.989
  270    HA   ASP  86           HA       ASP  86   4.166  17.310 -14.635
  271   1HB   ASP  86          1HB       ASP  86   5.490  15.197 -13.692
  272   2HB   ASP  86          2HB       ASP  86   6.342  15.340 -15.229
  273    H    ASP  87           H        ASP  87   2.781  16.679 -17.025
  274    HA   ASP  87           HA       ASP  87   4.534  17.882 -19.019
  275   1HB   ASP  87          1HB       ASP  87   4.168  14.956 -18.793
  276   2HB   ASP  87          2HB       ASP  87   3.923  15.599 -20.419
  277    H    GLY  88           H        GLY  88   1.860  15.534 -19.341
  278   1HA   GLY  88          1HA       GLY  88  -0.481  16.199 -19.636
  279   2HA   GLY  88          2HA       GLY  88   0.084  17.757 -20.240
  280    H    SER  89           H        SER  89   1.392  17.642 -22.314
  281    HA   SER  89           HA       SER  89   1.099  15.304 -24.034
  282   1HB   SER  89          1HB       SER  89  -0.899  17.505 -23.965
  283   2HB   SER  89          2HB       SER  89  -0.406  16.961 -25.566
  284    HG   SER  89           HG       SER  89  -0.975  14.856 -24.960
  285    H    ALA  90           H        ALA  90   3.145  15.516 -24.899
  286    HA   ALA  90           HA       ALA  90   4.244  18.162 -25.600
  287   1HB   ALA  90          1HB       ALA  90   5.497  16.246 -24.515
  288   2HB   ALA  90          2HB       ALA  90   5.357  15.376 -26.042
  289   3HB   ALA  90          3HB       ALA  90   6.268  16.884 -25.967
  Start of MODEL    3
    1   1H    SER  45          1H        SER  45  -1.938 -20.685  -9.260
    2   2H    SER  45          2H        SER  45  -1.782 -18.997  -9.262
    3   3H    SER  45          3H        SER  45  -1.066 -19.914  -8.023
    4    HA   SER  45           HA       SER  45  -3.158 -20.481  -7.086
    5   1HB   SER  45          1HB       SER  45  -2.906 -17.592  -7.975
    6   2HB   SER  45          2HB       SER  45  -3.992 -18.131  -6.697
    7    HG   SER  45           HG       SER  45  -2.285 -18.660  -5.458
    8    H    ASP  46           H        ASP  46  -3.599 -18.551 -10.070
    9    HA   ASP  46           HA       ASP  46  -5.960 -20.170 -10.797
   10   1HB   ASP  46          1HB       ASP  46  -6.757 -18.427  -9.198
   11   2HB   ASP  46          2HB       ASP  46  -6.123 -17.183 -10.276
   12    H    GLY  47           H        GLY  47  -4.657 -16.928 -11.610
   13   1HA   GLY  47          1HA       GLY  47  -4.060 -17.929 -14.355
   14   2HA   GLY  47          2HA       GLY  47  -5.021 -16.463 -14.157
   15    H    ASP  48           H        ASP  48  -3.317 -15.297 -15.294
   16    HA   ASP  48           HA       ASP  48  -1.103 -14.494 -13.460
   17   1HB   ASP  48          1HB       ASP  48  -0.719 -16.310 -15.439
   18   2HB   ASP  48          2HB       ASP  48  -0.454 -14.819 -16.342
   19    H    GLN  49           H        GLN  49  -1.380 -12.311 -13.249
   20    HA   GLN  49           HA       GLN  49  -2.532 -10.747 -15.513
   21   1HB   GLN  49          1HB       GLN  49  -2.054 -10.174 -12.570
   22   2HB   GLN  49          2HB       GLN  49  -2.807  -9.040 -13.691
   23   1HG   GLN  49          1HG       GLN  49  -4.690 -10.076 -12.812
   24   2HG   GLN  49          2HG       GLN  49  -4.384 -11.099 -14.216
   25   1HE2  GLN  49          2HE2      GLN  49  -4.740 -13.233 -13.582
   26   2HE2  GLN  49          1HE2      GLN  49  -4.174 -13.926 -12.140
   27    H    CYS  50           H        CYS  50   0.227 -10.719 -13.241
   28    HA   CYS  50           HA       CYS  50   1.561  -8.562 -14.774
   29   1HB   CYS  50          1HB       CYS  50   1.452  -8.695 -12.260
   30   2HB   CYS  50          2HB       CYS  50   2.451 -10.146 -12.344
   31    H    ALA  51           H        ALA  51   1.274 -10.822 -16.374
   32    HA   ALA  51           HA       ALA  51   3.748 -12.435 -16.214
   33   1HB   ALA  51          1HB       ALA  51   1.308 -13.141 -16.833
   34   2HB   ALA  51          2HB       ALA  51   1.692 -12.469 -18.418
   35   3HB   ALA  51          3HB       ALA  51   2.641 -13.810 -17.774
   36    H    SER  52           H        SER  52   2.171 -10.368 -18.692
   37    HA   SER  52           HA       SER  52   4.771 -10.087 -20.104
   38   1HB   SER  52          1HB       SER  52   3.269  -9.036 -21.823
   39   2HB   SER  52          2HB       SER  52   2.782 -10.670 -21.381
   40    HG   SER  52           HG       SER  52   1.319  -8.520 -21.288
   41    H    SER  53           H        SER  53   4.059  -8.690 -17.463
   42    HA   SER  53           HA       SER  53   4.307  -6.548 -16.494
   43   1HB   SER  53          1HB       SER  53   5.900  -6.218 -19.057
   44   2HB   SER  53          2HB       SER  53   6.071  -5.225 -17.612
   45    HG   SER  53           HG       SER  53   7.162  -6.776 -16.693
   46    HA   PRO  54           HA       PRO  54   1.070  -4.688 -19.244
   47   1HB   PRO  54          1HB       PRO  54  -0.759  -4.217 -17.266
   48   2HB   PRO  54          2HB       PRO  54  -0.654  -5.758 -18.138
   49   1HG   PRO  54          1HG       PRO  54   0.365  -5.038 -15.437
   50   2HG   PRO  54          2HG       PRO  54  -0.371  -6.545 -16.002
   51   1HD   PRO  54          1HD       PRO  54   2.316  -6.212 -15.653
   52   2HD   PRO  54          2HD       PRO  54   1.605  -7.363 -16.807
   53    H    CYS  55           H        CYS  55   2.588  -3.726 -16.234
   54    HA   CYS  55           HA       CYS  55   1.702  -1.015 -16.048
   55   1HB   CYS  55          1HB       CYS  55   4.389  -2.240 -15.327
   56   2HB   CYS  55          2HB       CYS  55   3.726  -0.750 -14.664
   57    H    GLN  56           H        GLN  56   2.765   0.937 -16.782
   58    HA   GLN  56           HA       GLN  56   4.510   0.544 -19.196
   59   1HB   GLN  56          1HB       GLN  56   2.468   2.690 -18.526
   60   2HB   GLN  56          2HB       GLN  56   3.421   2.627 -20.007
   61   1HG   GLN  56          1HG       GLN  56   1.927   0.153 -19.322
   62   2HG   GLN  56          2HG       GLN  56   0.948   1.541 -19.796
   63   1HE2  GLN  56          1HE2      GLN  56   0.974   2.173 -22.010
   64   2HE2  GLN  56          2HE2      GLN  56   1.881   1.367 -23.197
   65    H    ASN  57           H        ASN  57   5.650   2.825 -19.647
   66    HA   ASN  57           HA       ASN  57   7.381   4.278 -18.961
   67   1HB   ASN  57          1HB       ASN  57   5.241   4.475 -16.845
   68   2HB   ASN  57          2HB       ASN  57   6.703   5.456 -16.739
   69   1HD2  ASN  57          2HD2      ASN  57   3.661   5.072 -18.418
   70   2HD2  ASN  57          1HD2      ASN  57   3.831   6.413 -19.445
   71    H    GLY  58           H        GLY  58   7.606   1.409 -18.179
   72   1HA   GLY  58          1HA       GLY  58   9.053   0.081 -16.899
   73   2HA   GLY  58          2HA       GLY  58   9.922   1.568 -16.521
   74    H    GLY  59           H        GLY  59   6.522   1.225 -15.746
   75   1HA   GLY  59          1HA       GLY  59   6.917   1.901 -12.989
   76   2HA   GLY  59          2HA       GLY  59   5.422   1.256 -13.672
   77    H    SER  60           H        SER  60   6.324   0.442 -11.133
   78    HA   SER  60           HA       SER  60   7.650  -2.185 -11.459
   79   1HB   SER  60          1HB       SER  60   7.447  -0.193  -9.475
   80   2HB   SER  60          2HB       SER  60   6.574  -1.576  -8.825
   81    HG   SER  60           HG       SER  60   8.377  -2.710  -8.791
   82    H    CYS  61           H        CYS  61   6.400  -3.915 -12.003
   83    HA   CYS  61           HA       CYS  61   3.481  -3.876 -11.539
   84   1HB   CYS  61          1HB       CYS  61   4.522  -4.569 -13.688
   85   2HB   CYS  61          2HB       CYS  61   5.338  -5.889 -12.851
   86    H    LYS  62           H        LYS  62   2.473  -5.044  -9.948
   87    HA   LYS  62           HA       LYS  62   4.058  -7.104  -8.454
   88   1HB   LYS  62          1HB       LYS  62   2.758  -4.583  -7.576
   89   2HB   LYS  62          2HB       LYS  62   2.495  -5.978  -6.529
   90   1HG   LYS  62          1HG       LYS  62   5.140  -6.260  -6.956
   91   2HG   LYS  62          2HG       LYS  62   5.012  -4.509  -7.131
   92   1HD   LYS  62          1HD       LYS  62   4.451  -4.191  -4.930
   93   2HD   LYS  62          2HD       LYS  62   3.573  -5.717  -4.826
   94   1HE   LYS  62          1HE       LYS  62   5.698  -6.962  -4.755
   95   2HE   LYS  62          2HE       LYS  62   6.601  -5.441  -4.900
   96   1HZ   LYS  62          1HZ       LYS  62   5.450  -4.639  -2.908
   97   2HZ   LYS  62          2HZ       LYS  62   4.679  -6.141  -2.742
   98   3HZ   LYS  62          3HZ       LYS  62   6.367  -6.032  -2.581
   99    H    ASP  63           H        ASP  63   2.777  -8.839  -7.637
  100    HA   ASP  63           HA       ASP  63   0.132  -9.149  -8.951
  101   1HB   ASP  63          1HB       ASP  63   0.471 -11.521  -8.308
  102   2HB   ASP  63          2HB       ASP  63   1.871 -10.886  -9.170
  103    H    GLN  64           H        GLN  64  -1.760  -9.006  -7.802
  104    HA   GLN  64           HA       GLN  64  -1.627  -9.145  -4.807
  105   1HB   GLN  64          1HB       GLN  64  -2.970  -7.165  -6.663
  106   2HB   GLN  64          2HB       GLN  64  -3.414  -7.308  -4.963
  107   1HG   GLN  64          1HG       GLN  64  -0.584  -6.813  -5.925
  108   2HG   GLN  64          2HG       GLN  64  -1.686  -5.533  -5.415
  109   1HE2  GLN  64          2HE2      GLN  64  -2.629  -5.856  -3.112
  110   2HE2  GLN  64          1HE2      GLN  64  -1.598  -6.529  -1.944
  111    H    LEU  65           H        LEU  65  -2.371 -11.250  -6.705
  112    HA   LEU  65           HA       LEU  65  -4.054 -12.877  -6.968
  113   1HB   LEU  65          1HB       LEU  65  -4.228 -11.823  -4.376
  114   2HB   LEU  65          2HB       LEU  65  -5.887 -11.776  -4.967
  115    HG   LEU  65           HG       LEU  65  -5.416 -13.923  -3.856
  116   1HD1  LEU  65          1HD1      LEU  65  -6.744 -13.603  -6.168
  117   2HD1  LEU  65          2HD1      LEU  65  -5.491 -14.710  -6.729
  118   3HD1  LEU  65          3HD1      LEU  65  -6.555 -15.182  -5.404
  119   1HD2  LEU  65          1HD2      LEU  65  -2.901 -13.711  -4.776
  120   2HD2  LEU  65          2HD2      LEU  65  -3.612 -15.269  -4.353
  121   3HD2  LEU  65          3HD2      LEU  65  -3.558 -14.752  -6.039
  122    H    GLN  66           H        GLN  66  -6.095 -13.119  -8.033
  123    HA   GLN  66           HA       GLN  66  -7.866 -12.464  -9.437
  124   1HB   GLN  66          1HB       GLN  66  -7.898 -10.790  -7.062
  125   2HB   GLN  66          2HB       GLN  66  -8.508  -9.890  -8.449
  126   1HG   GLN  66          1HG       GLN  66 -10.380 -11.030  -7.431
  127   2HG   GLN  66          2HG       GLN  66 -10.020 -11.845  -8.953
  128   1HE2  GLN  66          2HE2      GLN  66 -10.907 -12.607  -5.909
  129   2HE2  GLN  66          1HE2      GLN  66 -10.078 -14.074  -5.698
  130    H    SER  67           H        SER  67  -6.686  -9.161  -8.806
  131    HA   SER  67           HA       SER  67  -6.040  -8.929 -11.722
  132   1HB   SER  67          1HB       SER  67  -7.870  -7.531 -10.754
  133   2HB   SER  67          2HB       SER  67  -6.708  -6.826  -9.634
  134    HG   SER  67           HG       SER  67  -6.984  -6.504 -12.400
  135    H    TYR  68           H        TYR  68  -4.579  -6.470 -11.388
  136    HA   TYR  68           HA       TYR  68  -2.180  -7.343  -9.816
  137   1HB   TYR  68          1HB       TYR  68  -0.815  -6.575 -11.758
  138   2HB   TYR  68          2HB       TYR  68  -1.893  -7.901 -12.190
  139    HD1  TYR  68           HD1      TYR  68  -3.992  -7.450 -13.464
  140    HD2  TYR  68           HD2      TYR  68  -1.094  -4.375 -12.695
  141    HE1  TYR  68           HE1      TYR  68  -5.021  -6.039 -15.224
  142    HE2  TYR  68           HE2      TYR  68  -2.122  -2.965 -14.456
  143    HH   TYR  68           HH       TYR  68  -4.388  -4.183 -16.695
  144    H    ILE  69           H        ILE  69  -0.568  -5.376  -9.758
  145    HA   ILE  69           HA       ILE  69  -2.032  -2.781  -9.574
  146    HB   ILE  69           HB       ILE  69  -2.075  -3.894  -7.371
  147   1HG1  ILE  69          1HG1      ILE  69  -0.028  -1.656  -7.401
  148   2HG1  ILE  69          2HG1      ILE  69  -1.768  -1.407  -7.544
  149   1HG2  ILE  69          1HG2      ILE  69   0.073  -5.215  -7.882
  150   2HG2  ILE  69          2HG2      ILE  69   0.944  -3.769  -7.372
  151   3HG2  ILE  69          3HG2      ILE  69  -0.114  -4.607  -6.238
  152   1HD1  ILE  69          1HD1      ILE  69  -1.774  -2.939  -5.348
  153   2HD1  ILE  69          2HD1      ILE  69  -0.161  -2.245  -5.175
  154   3HD1  ILE  69          3HD1      ILE  69  -1.572  -1.190  -5.259
  155    H    CYS  70           H        CYS  70  -0.870  -1.367 -10.803
  156    HA   CYS  70           HA       CYS  70   2.016  -1.854 -11.298
  157   1HB   CYS  70          1HB       CYS  70  -0.170  -0.133 -12.466
  158   2HB   CYS  70          2HB       CYS  70   1.517   0.152 -12.887
  159    H    PHE  71           H        PHE  71   3.604  -0.571 -10.414
  160    HA   PHE  71           HA       PHE  71   2.769   1.627  -8.576
  161   1HB   PHE  71          1HB       PHE  71   5.176  -0.154  -8.930
  162   2HB   PHE  71          2HB       PHE  71   5.296   1.319  -7.968
  163    HD1  PHE  71           HD1      PHE  71   3.627   1.664  -6.060
  164    HD2  PHE  71           HD2      PHE  71   4.192  -2.109  -8.033
  165    HE1  PHE  71           HE1      PHE  71   2.566   0.502  -4.143
  166    HE2  PHE  71           HE2      PHE  71   3.130  -3.271  -6.117
  167    HZ   PHE  71           HZ       PHE  71   2.317  -1.965  -4.171
  168    H    CYS  72           H        CYS  72   2.390   3.187 -10.305
  169    HA   CYS  72           HA       CYS  72   4.329   3.864 -12.318
  170   1HB   CYS  72          1HB       CYS  72   2.173   5.568 -11.020
  171   2HB   CYS  72          2HB       CYS  72   2.909   5.853 -12.594
  172    H    LEU  73           H        LEU  73   4.888   6.473 -12.220
  173    HA   LEU  73           HA       LEU  73   6.900   6.696 -10.088
  174   1HB   LEU  73          1HB       LEU  73   6.307   7.769 -12.729
  175   2HB   LEU  73          2HB       LEU  73   6.755   9.062 -11.619
  176    HG   LEU  73           HG       LEU  73   8.795   7.769 -10.999
  177   1HD1  LEU  73          1HD1      LEU  73   7.764   5.909 -13.158
  178   2HD1  LEU  73          2HD1      LEU  73   9.411   5.863 -12.531
  179   3HD1  LEU  73          3HD1      LEU  73   8.050   5.514 -11.464
  180   1HD2  LEU  73          1HD2      LEU  73   8.661   9.463 -12.927
  181   2HD2  LEU  73          2HD2      LEU  73  10.024   8.344 -12.956
  182   3HD2  LEU  73          3HD2      LEU  73   8.632   8.066 -14.003
  183    HA   PRO  74           HA       PRO  74   4.712   9.373  -7.375
  184   1HB   PRO  74          1HB       PRO  74   6.373  11.518  -6.961
  185   2HB   PRO  74          2HB       PRO  74   6.659   9.911  -6.260
  186   1HG   PRO  74          1HG       PRO  74   7.868  11.157  -8.687
  187   2HG   PRO  74          2HG       PRO  74   8.638  10.195  -7.413
  188   1HD   PRO  74          1HD       PRO  74   7.997   9.145  -9.810
  189   2HD   PRO  74          2HD       PRO  74   7.931   8.191  -8.311
  190    H    ALA  75           H        ALA  75   5.799  10.760 -10.397
  191    HA   ALA  75           HA       ALA  75   3.708  12.898 -10.174
  192   1HB   ALA  75          1HB       ALA  75   6.224  13.394 -10.492
  193   2HB   ALA  75          2HB       ALA  75   6.009  12.772 -12.129
  194   3HB   ALA  75          3HB       ALA  75   5.104  14.191 -11.598
  195    H    PHE  76           H        PHE  76   3.554   9.921 -11.125
  196    HA   PHE  76           HA       PHE  76   2.523  10.463 -13.893
  197   1HB   PHE  76          1HB       PHE  76   3.787   8.110 -12.499
  198   2HB   PHE  76          2HB       PHE  76   2.807   7.861 -13.942
  199    HD1  PHE  76           HD1      PHE  76   5.469  10.266 -12.784
  200    HD2  PHE  76           HD2      PHE  76   3.968   7.773 -15.944
  201    HE1  PHE  76           HE1      PHE  76   7.388  10.916 -14.206
  202    HE2  PHE  76           HE2      PHE  76   5.893   8.423 -17.366
  203    HZ   PHE  76           HZ       PHE  76   7.605   9.990 -16.492
  204    H    GLU  77           H        GLU  77   0.642   8.932 -14.461
  205    HA   GLU  77           HA       GLU  77  -1.058   8.154 -12.153
  206   1HB   GLU  77          1HB       GLU  77  -1.245  10.664 -13.207
  207   2HB   GLU  77          2HB       GLU  77  -2.399   9.800 -14.223
  208   1HG   GLU  77          1HG       GLU  77  -3.136   8.813 -11.834
  209   2HG   GLU  77          2HG       GLU  77  -2.504  10.371 -11.301
  210    H    GLY  78           H        GLY  78  -3.151   7.115 -13.051
  211   1HA   GLY  78          1HA       GLY  78  -4.257   6.010 -14.952
  212   2HA   GLY  78          2HA       GLY  78  -2.672   5.835 -15.708
  213    H    ARG  79           H        ARG  79  -4.726   3.776 -14.952
  214    HA   ARG  79           HA       ARG  79  -3.886   2.237 -12.694
  215   1HB   ARG  79          1HB       ARG  79  -6.004   1.983 -13.984
  216   2HB   ARG  79          2HB       ARG  79  -5.078   1.339 -15.340
  217   1HG   ARG  79          1HG       ARG  79  -4.599  -0.651 -14.251
  218   2HG   ARG  79          2HG       ARG  79  -4.726   0.074 -12.649
  219   1HD   ARG  79          1HD       ARG  79  -7.171   0.214 -12.873
  220   2HD   ARG  79          2HD       ARG  79  -7.070  -0.458 -14.512
  221    HE   ARG  79           HE       ARG  79  -6.511  -2.582 -13.583
  222   1HH1  ARG  79          1HH1      ARG  79  -6.177  -0.102 -11.158
  223   2HH1  ARG  79          2HH1      ARG  79  -6.268  -1.223  -9.844
  224   1HH2  ARG  79          1HH2      ARG  79  -6.763  -3.999 -11.849
  225   2HH2  ARG  79          2HH2      ARG  79  -6.595  -3.409 -10.230
  226    H    ASN  80           H        ASN  80  -2.850   2.165 -16.104
  227    HA   ASN  80           HA       ASN  80  -0.678   0.235 -15.376
  228   1HB   ASN  80          1HB       ASN  80  -2.070   1.015 -17.952
  229   2HB   ASN  80          2HB       ASN  80  -0.633  -0.008 -17.923
  230   1HD2  ASN  80          2HD2      ASN  80  -1.780  -1.929 -18.639
  231   2HD2  ASN  80          1HD2      ASN  80  -2.901  -2.723 -17.642
  232    H    CYS  81           H        CYS  81  -0.662   3.191 -14.872
  233    HA   CYS  81           HA       CYS  81   0.830   5.006 -15.083
  234   1HB   CYS  81          1HB       CYS  81   2.614   2.848 -16.262
  235   2HB   CYS  81          2HB       CYS  81   3.147   4.362 -15.542
  236    H    GLU  82           H        GLU  82  -1.036   4.848 -17.156
  237    HA   GLU  82           HA       GLU  82   0.561   5.434 -19.624
  238   1HB   GLU  82          1HB       GLU  82  -1.594   4.937 -20.779
  239   2HB   GLU  82          2HB       GLU  82  -1.039   3.585 -19.793
  240   1HG   GLU  82          1HG       GLU  82  -2.761   3.792 -18.297
  241   2HG   GLU  82          2HG       GLU  82  -2.800   5.550 -18.425
  242    H    THR  83           H        THR  83  -0.195   7.267 -17.242
  243    HA   THR  83           HA       THR  83  -1.241   9.497 -18.926
  244    HB   THR  83           HB       THR  83  -2.280   8.665 -16.197
  245    HG1  THR  83           HG1      THR  83  -4.159   8.170 -17.402
  246   1HG2  THR  83          1HG2      THR  83  -2.875  10.968 -18.046
  247   2HG2  THR  83          2HG2      THR  83  -4.085  10.391 -16.900
  248   3HG2  THR  83          3HG2      THR  83  -2.538  11.004 -16.315
  249    H    HIS  84           H        HIS  84   0.568  10.812 -18.817
  250    HA   HIS  84           HA       HIS  84   2.168  11.043 -16.360
  251   1HB   HIS  84          1HB       HIS  84   2.788  11.131 -18.939
  252   2HB   HIS  84          2HB       HIS  84   2.404  12.842 -18.751
  253    HD1  HIS  84           HD1      HIS  84   5.337  11.593 -19.183
  254    HD2  HIS  84           HD2      HIS  84   3.728  12.924 -15.575
  255    HE1  HIS  84           HE1      HIS  84   7.301  12.143 -17.682
  256    H    LYS  85           H        LYS  85   1.897  12.623 -14.827
  257    HA   LYS  85           HA       LYS  85  -0.243  14.643 -15.222
  258   1HB   LYS  85          1HB       LYS  85   1.343  13.516 -12.916
  259   2HB   LYS  85          2HB       LYS  85   0.370  14.972 -12.710
  260   1HG   LYS  85          1HG       LYS  85  -0.814  12.493 -13.949
  261   2HG   LYS  85          2HG       LYS  85  -0.743  12.682 -12.197
  262   1HD   LYS  85          1HD       LYS  85  -1.751  15.090 -12.821
  263   2HD   LYS  85          2HD       LYS  85  -2.364  14.178 -14.201
  264   1HE   LYS  85          1HE       LYS  85  -3.826  12.973 -12.911
  265   2HE   LYS  85          2HE       LYS  85  -2.679  12.849 -11.562
  266   1HZ   LYS  85          1HZ       LYS  85  -4.062  15.354 -12.360
  267   2HZ   LYS  85          2HZ       LYS  85  -4.569  14.353 -11.088
  268   3HZ   LYS  85          3HZ       LYS  85  -3.060  15.132 -11.006
  269    H    ASP  86           H        ASP  86   0.165  16.896 -15.008
  270    HA   ASP  86           HA       ASP  86   2.906  17.748 -15.705
  271   1HB   ASP  86          1HB       ASP  86   0.666  18.510 -16.733
  272   2HB   ASP  86          2HB       ASP  86   0.450  19.455 -15.259
  273    H    ASP  87           H        ASP  87   0.577  18.130 -13.044
  274    HA   ASP  87           HA       ASP  87   0.838  18.984 -10.856
  275   1HB   ASP  87          1HB       ASP  87   3.463  17.755 -11.642
  276   2HB   ASP  87          2HB       ASP  87   3.334  18.576 -10.086
  277    H    GLY  88           H        GLY  88   2.670  20.451  -9.556
  278   1HA   GLY  88          1HA       GLY  88   3.926  22.502 -11.191
  279   2HA   GLY  88          2HA       GLY  88   2.438  23.071 -10.433
  280    H    SER  89           H        SER  89   5.228  21.074  -9.399
  281    HA   SER  89           HA       SER  89   5.221  22.548  -6.799
  282   1HB   SER  89          1HB       SER  89   6.677  20.010  -7.584
  283   2HB   SER  89          2HB       SER  89   6.331  20.585  -5.955
  284    HG   SER  89           HG       SER  89   4.092  20.346  -6.476
  285    H    ALA  90           H        ALA  90   7.201  21.791  -9.618
  286    HA   ALA  90           HA       ALA  90   9.598  23.087  -8.455
  287   1HB   ALA  90          1HB       ALA  90   9.248  20.962 -10.070
  288   2HB   ALA  90          2HB       ALA  90   9.413  22.214 -11.301
  289   3HB   ALA  90          3HB       ALA  90  10.706  21.951 -10.131
  Start of MODEL    4
    1   1H    SER  45          1H        SER  45  -1.778 -21.764  -6.744
    2   2H    SER  45          2H        SER  45  -0.280 -21.514  -5.987
    3   3H    SER  45          3H        SER  45  -1.530 -20.379  -5.792
    4    HA   SER  45           HA       SER  45   0.126 -19.561  -7.371
    5   1HB   SER  45          1HB       SER  45  -0.703 -21.984  -8.987
    6   2HB   SER  45          2HB       SER  45   0.630 -20.882  -9.314
    7    HG   SER  45           HG       SER  45   0.669 -23.098  -7.892
    8    H    ASP  46           H        ASP  46  -1.191 -17.832  -7.851
    9    HA   ASP  46           HA       ASP  46  -3.142 -18.051 -10.013
   10   1HB   ASP  46          1HB       ASP  46  -4.301 -18.970  -7.968
   11   2HB   ASP  46          2HB       ASP  46  -4.112 -17.385  -7.217
   12    H    GLY  47           H        GLY  47  -1.631 -16.362 -10.766
   13   1HA   GLY  47          1HA       GLY  47  -2.553 -13.722 -10.468
   14   2HA   GLY  47          2HA       GLY  47  -1.221 -13.905  -9.326
   15    H    ASP  48           H        ASP  48  -1.888 -14.859 -12.717
   16    HA   ASP  48           HA       ASP  48   0.946 -14.216 -13.392
   17   1HB   ASP  48          1HB       ASP  48  -0.697 -16.345 -13.949
   18   2HB   ASP  48          2HB       ASP  48  -0.871 -15.381 -15.414
   19    H    GLN  49           H        GLN  49  -1.201 -12.153 -12.963
   20    HA   GLN  49           HA       GLN  49  -2.005 -11.113 -15.555
   21   1HB   GLN  49          1HB       GLN  49  -1.853  -9.984 -12.746
   22   2HB   GLN  49          2HB       GLN  49  -2.559  -9.104 -14.102
   23   1HG   GLN  49          1HG       GLN  49  -4.475 -10.137 -13.379
   24   2HG   GLN  49          2HG       GLN  49  -3.860 -11.451 -14.383
   25   1HE2  GLN  49          2HE2      GLN  49  -2.933 -10.283 -11.090
   26   2HE2  GLN  49          1HE2      GLN  49  -3.100 -11.802 -10.349
   27    H    CYS  50           H        CYS  50   0.794 -10.702 -13.463
   28    HA   CYS  50           HA       CYS  50   1.825  -8.447 -15.110
   29   1HB   CYS  50          1HB       CYS  50   2.691  -9.812 -12.544
   30   2HB   CYS  50          2HB       CYS  50   3.591  -8.491 -13.288
   31    H    ALA  51           H        ALA  51   1.630 -11.259 -16.156
   32    HA   ALA  51           HA       ALA  51   4.378 -12.291 -16.230
   33   1HB   ALA  51          1HB       ALA  51   1.851 -13.323 -16.496
   34   2HB   ALA  51          2HB       ALA  51   2.364 -13.232 -18.181
   35   3HB   ALA  51          3HB       ALA  51   3.317 -14.154 -17.018
   36    H    SER  52           H        SER  52   2.327 -10.243 -18.227
   37    HA   SER  52           HA       SER  52   4.433 -10.213 -20.361
   38   1HB   SER  52          1HB       SER  52   1.469  -9.590 -20.328
   39   2HB   SER  52          2HB       SER  52   2.502  -9.289 -21.723
   40    HG   SER  52           HG       SER  52   2.084 -11.781 -20.417
   41    H    SER  53           H        SER  53   4.181  -8.577 -17.714
   42    HA   SER  53           HA       SER  53   4.528  -6.345 -17.018
   43   1HB   SER  53          1HB       SER  53   5.686  -6.346 -19.824
   44   2HB   SER  53          2HB       SER  53   6.017  -5.116 -18.607
   45    HG   SER  53           HG       SER  53   7.358  -6.441 -17.686
   46    HA   PRO  54           HA       PRO  54   0.875  -4.839 -19.518
   47   1HB   PRO  54          1HB       PRO  54  -0.854  -4.535 -17.420
   48   2HB   PRO  54          2HB       PRO  54  -0.689  -6.054 -18.322
   49   1HG   PRO  54          1HG       PRO  54   0.447  -5.288 -15.681
   50   2HG   PRO  54          2HG       PRO  54  -0.209  -6.841 -16.221
   51   1HD   PRO  54          1HD       PRO  54   2.462  -6.310 -16.041
   52   2HD   PRO  54          2HD       PRO  54   1.767  -7.495 -17.169
   53    H    CYS  55           H        CYS  55   2.366  -3.827 -16.491
   54    HA   CYS  55           HA       CYS  55   1.347  -1.161 -16.314
   55   1HB   CYS  55          1HB       CYS  55   4.054  -2.298 -15.526
   56   2HB   CYS  55          2HB       CYS  55   3.347  -0.814 -14.893
   57    H    GLN  56           H        GLN  56   2.583   0.853 -16.834
   58    HA   GLN  56           HA       GLN  56   4.333   0.544 -19.255
   59   1HB   GLN  56          1HB       GLN  56   1.860   1.252 -19.545
   60   2HB   GLN  56          2HB       GLN  56   2.350   2.777 -18.808
   61   1HG   GLN  56          1HG       GLN  56   3.610   3.409 -20.621
   62   2HG   GLN  56          2HG       GLN  56   4.058   1.750 -21.019
   63   1HE2  GLN  56          2HE2      GLN  56   1.944   0.375 -21.685
   64   2HE2  GLN  56          1HE2      GLN  56   0.917   1.158 -22.787
   65    H    ASN  57           H        ASN  57   5.493   2.743 -19.677
   66    HA   ASN  57           HA       ASN  57   7.104   4.294 -18.930
   67   1HB   ASN  57          1HB       ASN  57   4.747   4.581 -17.078
   68   2HB   ASN  57          2HB       ASN  57   6.182   5.581 -16.846
   69   1HD2  ASN  57          2HD2      ASN  57   3.274   5.295 -18.652
   70   2HD2  ASN  57          1HD2      ASN  57   3.605   6.496 -19.806
   71    H    GLY  58           H        GLY  58   7.647   1.626 -18.128
   72   1HA   GLY  58          1HA       GLY  58   9.030   0.445 -16.649
   73   2HA   GLY  58          2HA       GLY  58   9.587   2.019 -16.083
   74    H    GLY  59           H        GLY  59   6.202   1.121 -15.908
   75   1HA   GLY  59          1HA       GLY  59   6.150   1.602 -13.046
   76   2HA   GLY  59          2HA       GLY  59   4.792   1.033 -14.019
   77    H    SER  60           H        SER  60   5.797   0.042 -11.386
   78    HA   SER  60           HA       SER  60   6.884  -2.643 -12.002
   79   1HB   SER  60          1HB       SER  60   6.804  -0.790  -9.799
   80   2HB   SER  60          2HB       SER  60   6.144  -2.334  -9.266
   81    HG   SER  60           HG       SER  60   8.035  -3.316 -10.145
   82    H    CYS  61           H        CYS  61   5.582  -4.414 -12.253
   83    HA   CYS  61           HA       CYS  61   2.667  -4.138 -11.716
   84   1HB   CYS  61          1HB       CYS  61   3.824  -4.916 -13.912
   85   2HB   CYS  61          2HB       CYS  61   4.087  -6.435 -13.058
   86    H    LYS  62           H        LYS  62   1.643  -5.357 -10.149
   87    HA   LYS  62           HA       LYS  62   3.206  -7.516  -8.778
   88   1HB   LYS  62          1HB       LYS  62   2.342  -4.919  -7.802
   89   2HB   LYS  62          2HB       LYS  62   1.582  -6.202  -6.862
   90   1HG   LYS  62          1HG       LYS  62   3.710  -5.641  -5.830
   91   2HG   LYS  62          2HG       LYS  62   3.842  -7.243  -6.556
   92   1HD   LYS  62          1HD       LYS  62   5.243  -6.518  -8.243
   93   2HD   LYS  62          2HD       LYS  62   4.573  -4.887  -8.242
   94   1HE   LYS  62          1HE       LYS  62   5.718  -4.385  -6.125
   95   2HE   LYS  62          2HE       LYS  62   6.360  -6.039  -6.068
   96   1HZ   LYS  62          1HZ       LYS  62   7.294  -5.617  -8.325
   97   2HZ   LYS  62          2HZ       LYS  62   6.867  -3.982  -8.149
   98   3HZ   LYS  62          3HZ       LYS  62   8.004  -4.684  -7.099
   99    H    ASP  63           H        ASP  63   1.984  -9.342  -8.383
  100    HA   ASP  63           HA       ASP  63  -0.722  -9.505  -9.471
  101   1HB   ASP  63          1HB       ASP  63  -0.481 -11.876  -8.761
  102   2HB   ASP  63          2HB       ASP  63   0.937 -11.319  -9.648
  103    H    GLN  64           H        GLN  64  -2.605  -9.228  -8.336
  104    HA   GLN  64           HA       GLN  64  -2.459  -9.214  -5.337
  105   1HB   GLN  64          1HB       GLN  64  -3.828  -7.424  -7.348
  106   2HB   GLN  64          2HB       GLN  64  -4.370  -7.489  -5.670
  107   1HG   GLN  64          1HG       GLN  64  -1.457  -7.077  -6.298
  108   2HG   GLN  64          2HG       GLN  64  -2.575  -5.712  -6.346
  109   1HE2  GLN  64          2HE2      GLN  64  -3.957  -5.445  -4.277
  110   2HE2  GLN  64          1HE2      GLN  64  -3.217  -5.819  -2.795
  111    H    LEU  65           H        LEU  65  -3.046 -11.625  -6.462
  112    HA   LEU  65           HA       LEU  65  -4.668 -13.335  -6.538
  113   1HB   LEU  65          1HB       LEU  65  -4.972 -11.959  -4.263
  114   2HB   LEU  65          2HB       LEU  65  -6.534 -11.586  -4.992
  115    HG   LEU  65           HG       LEU  65  -5.575 -14.426  -5.000
  116   1HD1  LEU  65          1HD1      LEU  65  -5.510 -13.137  -2.637
  117   2HD1  LEU  65          2HD1      LEU  65  -7.231 -13.519  -2.697
  118   3HD1  LEU  65          3HD1      LEU  65  -6.038 -14.814  -2.783
  119   1HD2  LEU  65          1HD2      LEU  65  -7.671 -13.551  -6.174
  120   2HD2  LEU  65          2HD2      LEU  65  -7.920 -14.902  -5.067
  121   3HD2  LEU  65          3HD2      LEU  65  -8.336 -13.263  -4.565
  122    H    GLN  66           H        GLN  66  -5.435 -13.472  -8.638
  123    HA   GLN  66           HA       GLN  66  -6.861 -13.153 -10.494
  124   1HB   GLN  66          1HB       GLN  66  -8.318 -13.568  -8.244
  125   2HB   GLN  66          2HB       GLN  66  -8.950 -11.994  -8.724
  126   1HG   GLN  66          1HG       GLN  66 -10.340 -13.286 -10.011
  127   2HG   GLN  66          2HG       GLN  66  -8.974 -13.226 -11.126
  128   1HE2  GLN  66          2HE2      GLN  66  -7.183 -15.008  -9.819
  129   2HE2  GLN  66          1HE2      GLN  66  -7.861 -16.564  -9.819
  130    H    SER  67           H        SER  67  -5.188 -10.816  -9.478
  131    HA   SER  67           HA       SER  67  -6.253  -8.792 -11.280
  132   1HB   SER  67          1HB       SER  67  -6.889  -7.176  -9.612
  133   2HB   SER  67          2HB       SER  67  -7.676  -8.686  -9.164
  134    HG   SER  67           HG       SER  67  -6.264  -7.317  -7.590
  135    H    TYR  68           H        TYR  68  -4.810  -6.795 -11.197
  136    HA   TYR  68           HA       TYR  68  -2.101  -7.441 -10.083
  137   1HB   TYR  68          1HB       TYR  68  -1.190  -6.495 -12.202
  138   2HB   TYR  68          2HB       TYR  68  -2.208  -7.905 -12.492
  139    HD1  TYR  68           HD1      TYR  68  -2.073  -4.199 -12.633
  140    HD2  TYR  68           HD2      TYR  68  -4.289  -7.726 -13.687
  141    HE1  TYR  68           HE1      TYR  68  -3.526  -2.844 -14.114
  142    HE2  TYR  68           HE2      TYR  68  -5.743  -6.369 -15.168
  143    HH   TYR  68           HH       TYR  68  -5.322  -3.985 -16.470
  144    H    ILE  69           H        ILE  69  -0.699  -5.384 -10.105
  145    HA   ILE  69           HA       ILE  69  -2.234  -2.863  -9.771
  146    HB   ILE  69           HB       ILE  69  -2.273  -4.034  -7.595
  147   1HG1  ILE  69          1HG1      ILE  69  -0.207  -1.895  -7.222
  148   2HG1  ILE  69          2HG1      ILE  69  -1.756  -1.456  -7.944
  149   1HG2  ILE  69          1HG2      ILE  69   0.204  -4.992  -8.321
  150   2HG2  ILE  69          2HG2      ILE  69   0.624  -3.780  -7.113
  151   3HG2  ILE  69          3HG2      ILE  69  -0.477  -5.095  -6.699
  152   1HD1  ILE  69          1HD1      ILE  69  -2.643  -2.953  -5.880
  153   2HD1  ILE  69          2HD1      ILE  69  -1.143  -2.349  -5.175
  154   3HD1  ILE  69          3HD1      ILE  69  -2.368  -1.216  -5.748
  155    H    CYS  70           H        CYS  70  -1.084  -1.467 -11.042
  156    HA   CYS  70           HA       CYS  70   1.796  -1.904 -11.525
  157   1HB   CYS  70          1HB       CYS  70  -0.364  -0.087 -12.598
  158   2HB   CYS  70          2HB       CYS  70   1.324   0.116 -13.063
  159    H    PHE  71           H        PHE  71   3.397  -0.693 -10.602
  160    HA   PHE  71           HA       PHE  71   2.619   1.477  -8.704
  161   1HB   PHE  71          1HB       PHE  71   4.981  -0.356  -9.105
  162   2HB   PHE  71          2HB       PHE  71   5.137   1.087  -8.106
  163    HD1  PHE  71           HD1      PHE  71   3.121   1.439  -6.380
  164    HD2  PHE  71           HD2      PHE  71   4.306  -2.330  -8.067
  165    HE1  PHE  71           HE1      PHE  71   2.033   0.252  -4.494
  166    HE2  PHE  71           HE2      PHE  71   3.217  -3.516  -6.181
  167    HZ   PHE  71           HZ       PHE  71   2.081  -2.225  -4.394
  168    H    CYS  72           H        CYS  72   2.330   3.190 -10.232
  169    HA   CYS  72           HA       CYS  72   4.254   3.814 -12.307
  170   1HB   CYS  72          1HB       CYS  72   2.171   5.561 -10.949
  171   2HB   CYS  72          2HB       CYS  72   2.894   5.846 -12.529
  172    H    LEU  73           H        LEU  73   5.011   6.323 -12.197
  173    HA   LEU  73           HA       LEU  73   6.958   6.459  -9.993
  174   1HB   LEU  73          1HB       LEU  73   6.321   7.955 -12.526
  175   2HB   LEU  73          2HB       LEU  73   7.456   8.643 -11.371
  176    HG   LEU  73           HG       LEU  73   7.677   5.881 -12.576
  177   1HD1  LEU  73          1HD1      LEU  73   8.073   8.145 -13.963
  178   2HD1  LEU  73          2HD1      LEU  73   9.641   8.041 -13.161
  179   3HD1  LEU  73          3HD1      LEU  73   9.086   6.719 -14.188
  180   1HD2  LEU  73          1HD2      LEU  73   9.384   7.499 -10.683
  181   2HD2  LEU  73          2HD2      LEU  73   8.792   5.850 -10.481
  182   3HD2  LEU  73          3HD2      LEU  73  10.071   6.191 -11.646
  183    HA   PRO  74           HA       PRO  74   4.783   9.394  -7.515
  184   1HB   PRO  74          1HB       PRO  74   6.653  11.316  -6.941
  185   2HB   PRO  74          2HB       PRO  74   6.656   9.704  -6.197
  186   1HG   PRO  74          1HG       PRO  74   8.275  10.737  -8.478
  187   2HG   PRO  74          2HG       PRO  74   8.764   9.703  -7.125
  188   1HD   PRO  74          1HD       PRO  74   8.253   8.717  -9.585
  189   2HD   PRO  74          2HD       PRO  74   7.927   7.794  -8.103
  190    H    ALA  75           H        ALA  75   6.090  10.318 -10.570
  191    HA   ALA  75           HA       ALA  75   4.507  12.868 -10.526
  192   1HB   ALA  75          1HB       ALA  75   6.988  11.976 -12.017
  193   2HB   ALA  75          2HB       ALA  75   6.107  13.450 -12.425
  194   3HB   ALA  75          3HB       ALA  75   6.853  13.279 -10.836
  195    H    PHE  76           H        PHE  76   3.951   9.820 -11.379
  196    HA   PHE  76           HA       PHE  76   2.816  10.498 -14.075
  197   1HB   PHE  76          1HB       PHE  76   4.051   8.033 -12.862
  198   2HB   PHE  76          2HB       PHE  76   2.944   7.884 -14.226
  199    HD1  PHE  76           HD1      PHE  76   5.865  10.019 -13.190
  200    HD2  PHE  76           HD2      PHE  76   3.877   7.893 -16.348
  201    HE1  PHE  76           HE1      PHE  76   7.695  10.623 -14.748
  202    HE2  PHE  76           HE2      PHE  76   5.710   8.496 -17.906
  203    HZ   PHE  76           HZ       PHE  76   7.619   9.858 -17.104
  204    H    GLU  77           H        GLU  77   0.841   9.029 -14.553
  205    HA   GLU  77           HA       GLU  77  -0.748   8.305 -12.151
  206   1HB   GLU  77          1HB       GLU  77  -0.890  10.830 -13.156
  207   2HB   GLU  77          2HB       GLU  77  -2.126  10.034 -14.133
  208   1HG   GLU  77          1HG       GLU  77  -3.363  10.695 -12.268
  209   2HG   GLU  77          2HG       GLU  77  -2.912   9.048 -11.827
  210    H    GLY  78           H        GLY  78  -2.961   7.398 -12.955
  211   1HA   GLY  78          1HA       GLY  78  -4.203   6.373 -14.821
  212   2HA   GLY  78          2HA       GLY  78  -2.658   6.086 -15.622
  213    H    ARG  79           H        ARG  79  -4.735   4.117 -14.934
  214    HA   ARG  79           HA       ARG  79  -4.007   2.550 -12.640
  215   1HB   ARG  79          1HB       ARG  79  -6.106   2.498 -14.121
  216   2HB   ARG  79          2HB       ARG  79  -5.155   1.533 -15.250
  217   1HG   ARG  79          1HG       ARG  79  -4.678  -0.079 -13.396
  218   2HG   ARG  79          2HG       ARG  79  -5.766   0.847 -12.361
  219   1HD   ARG  79          1HD       ARG  79  -7.368   0.482 -14.538
  220   2HD   ARG  79          2HD       ARG  79  -6.416  -1.015 -14.572
  221    HE   ARG  79           HE       ARG  79  -7.009  -0.892 -11.943
  222   1HH1  ARG  79          1HH1      ARG  79  -8.978  -0.698 -14.811
  223   2HH1  ARG  79          2HH1      ARG  79 -10.444  -1.030 -13.957
  224   1HH2  ARG  79          1HH2      ARG  79  -8.951  -1.186 -10.841
  225   2HH2  ARG  79          2HH2      ARG  79 -10.431  -1.305 -11.732
  226    H    ASN  80           H        ASN  80  -3.023   2.352 -16.066
  227    HA   ASN  80           HA       ASN  80  -0.936   0.339 -15.330
  228   1HB   ASN  80          1HB       ASN  80  -2.403   1.152 -17.838
  229   2HB   ASN  80          2HB       ASN  80  -0.898   0.238 -17.945
  230   1HD2  ASN  80          2HD2      ASN  80  -3.547  -0.790 -18.702
  231   2HD2  ASN  80          1HD2      ASN  80  -3.874  -2.104 -17.680
  232    H    CYS  81           H        CYS  81  -0.782   3.303 -14.838
  233    HA   CYS  81           HA       CYS  81   0.802   5.037 -15.040
  234   1HB   CYS  81          1HB       CYS  81   2.485   2.778 -16.180
  235   2HB   CYS  81          2HB       CYS  81   3.091   4.273 -15.477
  236    H    GLU  82           H        GLU  82  -1.012   5.165 -17.064
  237    HA   GLU  82           HA       GLU  82   0.604   5.519 -19.565
  238   1HB   GLU  82          1HB       GLU  82  -1.606   5.293 -20.690
  239   2HB   GLU  82          2HB       GLU  82  -1.227   3.889 -19.695
  240   1HG   GLU  82          1HG       GLU  82  -2.668   6.047 -18.275
  241   2HG   GLU  82          2HG       GLU  82  -3.588   5.275 -19.567
  242    H    THR  83           H        THR  83   0.090   7.436 -17.166
  243    HA   THR  83           HA       THR  83  -0.670   9.777 -18.854
  244    HB   THR  83           HB       THR  83  -1.776   9.102 -16.108
  245    HG1  THR  83           HG1      THR  83  -3.325   8.174 -17.153
  246   1HG2  THR  83          1HG2      THR  83  -1.875  11.499 -17.867
  247   2HG2  THR  83          2HG2      THR  83  -3.380  11.039 -17.071
  248   3HG2  THR  83          3HG2      THR  83  -1.945  11.388 -16.107
  249    H    HIS  84           H        HIS  84   0.280  11.757 -18.106
  250    HA   HIS  84           HA       HIS  84   2.461  11.399 -16.077
  251   1HB   HIS  84          1HB       HIS  84   3.031  11.824 -18.506
  252   2HB   HIS  84          2HB       HIS  84   2.241  13.394 -18.351
  253    HD1  HIS  84           HD1      HIS  84   5.483  11.945 -18.127
  254    HD2  HIS  84           HD2      HIS  84   3.462  14.838 -15.910
  255    HE1  HIS  84           HE1      HIS  84   7.254  13.253 -16.873
  256    H    LYS  85           H        LYS  85   2.069  12.484 -14.196
  257    HA   LYS  85           HA       LYS  85   0.418  14.991 -14.305
  258   1HB   LYS  85          1HB       LYS  85   0.491  12.628 -12.434
  259   2HB   LYS  85          2HB       LYS  85  -0.124  14.185 -11.877
  260   1HG   LYS  85          1HG       LYS  85  -1.118  12.891 -14.420
  261   2HG   LYS  85          2HG       LYS  85  -1.855  12.560 -12.851
  262   1HD   LYS  85          1HD       LYS  85  -1.424  15.421 -13.551
  263   2HD   LYS  85          2HD       LYS  85  -2.691  14.569 -14.433
  264   1HE   LYS  85          1HE       LYS  85  -3.987  14.249 -12.535
  265   2HE   LYS  85          2HE       LYS  85  -2.581  14.242 -11.453
  266   1HZ   LYS  85          1HZ       LYS  85  -3.471  16.624 -12.986
  267   2HZ   LYS  85          2HZ       LYS  85  -3.906  16.333 -11.369
  268   3HZ   LYS  85          3HZ       LYS  85  -2.275  16.566 -11.784
  269    H    ASP  86           H        ASP  86   1.564  16.760 -13.651
  270    HA   ASP  86           HA       ASP  86   3.963  16.341 -11.897
  271   1HB   ASP  86          1HB       ASP  86   4.809  18.395 -13.027
  272   2HB   ASP  86          2HB       ASP  86   4.451  17.112 -14.181
  273    H    ASP  87           H        ASP  87   1.090  18.324 -12.494
  274    HA   ASP  87           HA       ASP  87   1.118  19.212  -9.668
  275   1HB   ASP  87          1HB       ASP  87   2.529  20.811 -10.956
  276   2HB   ASP  87          2HB       ASP  87   1.163  21.124 -12.027
  277    H    GLY  88           H        GLY  88  -0.976  19.846  -8.965
  278   1HA   GLY  88          1HA       GLY  88  -3.201  20.625 -10.406
  279   2HA   GLY  88          2HA       GLY  88  -3.197  18.870 -10.579
  280    H    SER  89           H        SER  89  -1.978  18.470  -7.914
  281    HA   SER  89           HA       SER  89  -4.357  18.195  -6.341
  282   1HB   SER  89          1HB       SER  89  -2.071  16.998  -6.222
  283   2HB   SER  89          2HB       SER  89  -1.528  18.388  -5.287
  284    HG   SER  89           HG       SER  89  -2.455  17.460  -3.656
  285    H    ALA  90           H        ALA  90  -5.505  19.976  -5.672
  286    HA   ALA  90           HA       ALA  90  -4.021  22.401  -4.747
  287   1HB   ALA  90          1HB       ALA  90  -6.770  21.777  -5.801
  288   2HB   ALA  90          2HB       ALA  90  -6.502  23.259  -4.883
  289   3HB   ALA  90          3HB       ALA  90  -5.610  22.973  -6.377
  Start of MODEL    5
    1   1H    SER  45          1H        SER  45  -6.218 -19.247  -7.890
    2   2H    SER  45          2H        SER  45  -4.577 -18.966  -7.565
    3   3H    SER  45          3H        SER  45  -5.503 -19.908  -6.498
    4    HA   SER  45           HA       SER  45  -6.748 -18.046  -5.757
    5   1HB   SER  45          1HB       SER  45  -4.485 -18.417  -4.836
    6   2HB   SER  45          2HB       SER  45  -3.798 -17.415  -6.111
    7    HG   SER  45           HG       SER  45  -4.744 -16.644  -3.781
    8    H    ASP  46           H        ASP  46  -4.552 -17.163  -8.433
    9    HA   ASP  46           HA       ASP  46  -6.534 -15.185  -9.398
   10   1HB   ASP  46          1HB       ASP  46  -4.809 -13.385  -9.361
   11   2HB   ASP  46          2HB       ASP  46  -5.180 -13.975  -7.741
   12    H    GLY  47           H        GLY  47  -5.997 -14.438 -11.596
   13   1HA   GLY  47          1HA       GLY  47  -4.698 -16.528 -13.177
   14   2HA   GLY  47          2HA       GLY  47  -5.474 -15.076 -13.814
   15    H    ASP  48           H        ASP  48  -3.529 -14.962 -15.224
   16    HA   ASP  48           HA       ASP  48  -1.055 -14.034 -13.828
   17   1HB   ASP  48          1HB       ASP  48  -1.445 -15.868 -15.793
   18   2HB   ASP  48          2HB       ASP  48  -1.163 -14.429 -16.772
   19    H    GLN  49           H        GLN  49  -1.940 -11.880 -13.365
   20    HA   GLN  49           HA       GLN  49  -2.747 -10.159 -15.621
   21   1HB   GLN  49          1HB       GLN  49  -2.363  -9.779 -12.638
   22   2HB   GLN  49          2HB       GLN  49  -2.919  -8.496 -13.713
   23   1HG   GLN  49          1HG       GLN  49  -4.941  -9.396 -12.972
   24   2HG   GLN  49          2HG       GLN  49  -4.687 -10.280 -14.477
   25   1HE2  GLN  49          2HE2      GLN  49  -3.352 -10.678 -11.140
   26   2HE2  GLN  49          1HE2      GLN  49  -3.753 -12.323 -11.022
   27    H    CYS  50           H        CYS  50   0.011 -10.541 -13.412
   28    HA   CYS  50           HA       CYS  50   1.479  -8.354 -14.810
   29   1HB   CYS  50          1HB       CYS  50   1.281  -8.461 -12.313
   30   2HB   CYS  50          2HB       CYS  50   2.156  -9.991 -12.345
   31    H    ALA  51           H        ALA  51   1.177 -10.507 -16.487
   32    HA   ALA  51           HA       ALA  51   3.449 -12.366 -16.220
   33   1HB   ALA  51          1HB       ALA  51   1.212 -13.023 -17.077
   34   2HB   ALA  51          2HB       ALA  51   1.413 -11.902 -18.424
   35   3HB   ALA  51          3HB       ALA  51   2.472 -13.305 -18.280
   36    H    SER  52           H        SER  52   2.398 -10.028 -18.738
   37    HA   SER  52           HA       SER  52   5.197  -9.887 -19.740
   38   1HB   SER  52          1HB       SER  52   2.989 -10.255 -21.093
   39   2HB   SER  52          2HB       SER  52   2.779  -8.518 -20.903
   40    HG   SER  52           HG       SER  52   3.923  -8.944 -22.795
   41    H    SER  53           H        SER  53   4.178  -8.530 -17.193
   42    HA   SER  53           HA       SER  53   4.386  -6.436 -16.119
   43   1HB   SER  53          1HB       SER  53   6.682  -6.680 -16.648
   44   2HB   SER  53          2HB       SER  53   6.401  -6.418 -18.367
   45    HG   SER  53           HG       SER  53   6.184  -4.292 -18.019
   46    HA   PRO  54           HA       PRO  54   1.649  -4.333 -19.213
   47   1HB   PRO  54          1HB       PRO  54  -0.412  -3.833 -17.487
   48   2HB   PRO  54          2HB       PRO  54  -0.257  -5.350 -18.395
   49   1HG   PRO  54          1HG       PRO  54   0.409  -4.767 -15.555
   50   2HG   PRO  54          2HG       PRO  54  -0.309  -6.218 -16.273
   51   1HD   PRO  54          1HD       PRO  54   2.316  -6.029 -15.546
   52   2HD   PRO  54          2HD       PRO  54   1.722  -7.105 -16.829
   53    H    CYS  55           H        CYS  55   2.918  -3.530 -16.067
   54    HA   CYS  55           HA       CYS  55   2.072  -0.820 -15.787
   55   1HB   CYS  55          1HB       CYS  55   4.695  -2.146 -15.009
   56   2HB   CYS  55          2HB       CYS  55   4.049  -0.663 -14.309
   57    H    GLN  56           H        GLN  56   2.578   0.955 -17.016
   58    HA   GLN  56           HA       GLN  56   4.650   0.725 -19.122
   59   1HB   GLN  56          1HB       GLN  56   2.557   2.802 -18.409
   60   2HB   GLN  56          2HB       GLN  56   3.601   2.897 -19.826
   61   1HG   GLN  56          1HG       GLN  56   2.170   0.325 -19.475
   62   2HG   GLN  56          2HG       GLN  56   1.149   1.715 -19.843
   63   1HE2  GLN  56          2HE2      GLN  56   1.044   2.336 -22.014
   64   2HE2  GLN  56          1HE2      GLN  56   2.112   1.805 -23.222
   65    H    ASN  57           H        ASN  57   5.636   3.181 -19.438
   66    HA   ASN  57           HA       ASN  57   7.317   4.647 -18.687
   67   1HB   ASN  57          1HB       ASN  57   5.423   4.437 -16.337
   68   2HB   ASN  57          2HB       ASN  57   6.764   5.583 -16.372
   69   1HD2  ASN  57          2HD2      ASN  57   3.502   5.265 -17.172
   70   2HD2  ASN  57          1HD2      ASN  57   3.390   6.528 -18.299
   71    H    GLY  58           H        GLY  58   7.565   1.618 -18.090
   72   1HA   GLY  58          1HA       GLY  58   9.154   0.239 -17.057
   73   2HA   GLY  58          2HA       GLY  58  10.114   1.698 -16.825
   74    H    GLY  59           H        GLY  59   6.894   0.967 -15.516
   75   1HA   GLY  59          1HA       GLY  59   7.835   1.703 -12.827
   76   2HA   GLY  59          2HA       GLY  59   6.175   1.309 -13.271
   77    H    SER  60           H        SER  60   6.994   0.177 -10.983
   78    HA   SER  60           HA       SER  60   8.090  -2.525 -11.541
   79   1HB   SER  60          1HB       SER  60   9.017  -1.536  -9.619
   80   2HB   SER  60          2HB       SER  60   7.484  -0.818  -9.135
   81    HG   SER  60           HG       SER  60   6.774  -2.807  -8.481
   82    H    CYS  61           H        CYS  61   6.708  -4.192 -11.940
   83    HA   CYS  61           HA       CYS  61   3.809  -3.862 -11.424
   84   1HB   CYS  61          1HB       CYS  61   4.710  -4.602 -13.616
   85   2HB   CYS  61          2HB       CYS  61   5.431  -6.007 -12.833
   86    H    LYS  62           H        LYS  62   2.717  -5.000  -9.865
   87    HA   LYS  62           HA       LYS  62   4.171  -7.176  -8.399
   88   1HB   LYS  62          1HB       LYS  62   3.049  -4.595  -7.517
   89   2HB   LYS  62          2HB       LYS  62   2.533  -5.964  -6.532
   90   1HG   LYS  62          1HG       LYS  62   5.150  -6.557  -6.731
   91   2HG   LYS  62          2HG       LYS  62   5.251  -4.802  -6.888
   92   1HD   LYS  62          1HD       LYS  62   4.383  -4.425  -4.759
   93   2HD   LYS  62          2HD       LYS  62   3.552  -5.980  -4.712
   94   1HE   LYS  62          1HE       LYS  62   5.652  -7.166  -4.408
   95   2HE   LYS  62          2HE       LYS  62   6.575  -5.667  -4.639
   96   1HZ   LYS  62          1HZ       LYS  62   5.273  -4.716  -2.764
   97   2HZ   LYS  62          2HZ       LYS  62   4.632  -6.261  -2.472
   98   3HZ   LYS  62          3HZ       LYS  62   6.300  -5.986  -2.305
   99    H    ASP  63           H        ASP  63   2.908  -8.991  -8.029
  100    HA   ASP  63           HA       ASP  63   0.309  -9.189  -9.338
  101   1HB   ASP  63          1HB       ASP  63   0.473 -11.532  -8.525
  102   2HB   ASP  63          2HB       ASP  63   1.967 -11.010  -9.302
  103    H    GLN  64           H        GLN  64  -1.683  -8.972  -8.394
  104    HA   GLN  64           HA       GLN  64  -1.913  -9.078  -5.417
  105   1HB   GLN  64          1HB       GLN  64  -2.568  -6.827  -7.315
  106   2HB   GLN  64          2HB       GLN  64  -3.437  -6.983  -5.787
  107   1HG   GLN  64          1HG       GLN  64  -0.416  -6.872  -6.034
  108   2HG   GLN  64          2HG       GLN  64  -1.436  -5.492  -5.622
  109   1HE2  GLN  64          2HE2      GLN  64  -2.858  -5.812  -3.608
  110   2HE2  GLN  64          1HE2      GLN  64  -2.234  -6.755  -2.343
  111    H    LEU  65           H        LEU  65  -3.051 -11.108  -5.763
  112    HA   LEU  65           HA       LEU  65  -4.958 -12.447  -6.143
  113   1HB   LEU  65          1HB       LEU  65  -5.676  -9.901  -5.088
  114   2HB   LEU  65          2HB       LEU  65  -6.896 -10.305  -6.294
  115    HG   LEU  65           HG       LEU  65  -6.096 -12.512  -4.474
  116   1HD1  LEU  65          1HD1      LEU  65  -6.282 -10.302  -3.104
  117   2HD1  LEU  65          2HD1      LEU  65  -8.008 -10.427  -3.440
  118   3HD1  LEU  65          3HD1      LEU  65  -7.187 -11.711  -2.552
  119   1HD2  LEU  65          1HD2      LEU  65  -8.649 -11.425  -5.678
  120   2HD2  LEU  65          2HD2      LEU  65  -7.847 -12.954  -6.032
  121   3HD2  LEU  65          3HD2      LEU  65  -8.657 -12.721  -4.482
  122    H    GLN  66           H        GLN  66  -7.349 -11.737  -7.588
  123    HA   GLN  66           HA       GLN  66  -6.706 -12.436 -10.246
  124   1HB   GLN  66          1HB       GLN  66  -8.949 -12.180  -8.793
  125   2HB   GLN  66          2HB       GLN  66  -9.061 -10.680  -9.715
  126   1HG   GLN  66          1HG       GLN  66 -10.084 -12.061 -11.236
  127   2HG   GLN  66          2HG       GLN  66  -8.415 -12.363 -11.717
  128   1HE2  GLN  66          2HE2      GLN  66 -10.670 -14.279 -11.928
  129   2HE2  GLN  66          1HE2      GLN  66 -10.247 -15.617 -10.974
  130    H    SER  67           H        SER  67  -6.576  -9.297  -8.701
  131    HA   SER  67           HA       SER  67  -6.260  -7.926 -11.336
  132   1HB   SER  67          1HB       SER  67  -6.537  -6.841  -8.515
  133   2HB   SER  67          2HB       SER  67  -6.637  -5.905 -10.004
  134    HG   SER  67           HG       SER  67  -8.626  -6.537 -10.220
  135    H    TYR  68           H        TYR  68  -4.611  -5.877 -10.780
  136    HA   TYR  68           HA       TYR  68  -2.140  -6.987  -9.519
  137   1HB   TYR  68          1HB       TYR  68  -0.877  -6.254 -11.547
  138   2HB   TYR  68          2HB       TYR  68  -2.059  -7.509 -11.915
  139    HD1  TYR  68           HD1      TYR  68  -4.111  -6.989 -13.157
  140    HD2  TYR  68           HD2      TYR  68  -1.204  -3.950 -12.284
  141    HE1  TYR  68           HE1      TYR  68  -5.185  -5.486 -14.811
  142    HE2  TYR  68           HE2      TYR  68  -2.277  -2.447 -13.937
  143    HH   TYR  68           HH       TYR  68  -4.319  -3.440 -16.268
  144    H    ILE  69           H        ILE  69  -0.410  -5.148  -9.494
  145    HA   ILE  69           HA       ILE  69  -1.658  -2.451  -9.211
  146    HB   ILE  69           HB       ILE  69  -1.714  -3.606  -7.027
  147   1HG1  ILE  69          1HG1      ILE  69   0.492  -1.527  -7.084
  148   2HG1  ILE  69          2HG1      ILE  69  -1.229  -1.146  -7.171
  149   1HG2  ILE  69          1HG2      ILE  69   0.303  -5.077  -7.626
  150   2HG2  ILE  69          2HG2      ILE  69   1.303  -3.707  -7.143
  151   3HG2  ILE  69          3HG2      ILE  69   0.233  -4.473  -5.970
  152   1HD1  ILE  69          1HD1      ILE  69  -1.250  -2.747  -5.002
  153   2HD1  ILE  69          2HD1      ILE  69   0.386  -2.102  -4.864
  154   3HD1  ILE  69          3HD1      ILE  69  -0.995  -1.005  -4.893
  155    H    CYS  70           H        CYS  70  -0.414  -1.085 -10.422
  156    HA   CYS  70           HA       CYS  70   2.392  -1.815 -11.051
  157   1HB   CYS  70          1HB       CYS  70   0.339   0.151 -12.064
  158   2HB   CYS  70          2HB       CYS  70   2.033   0.306 -12.527
  159    H    PHE  71           H        PHE  71   4.119  -0.751 -10.163
  160    HA   PHE  71           HA       PHE  71   3.565   1.538  -8.313
  161   1HB   PHE  71          1HB       PHE  71   5.617  -0.665  -8.492
  162   2HB   PHE  71          2HB       PHE  71   5.952   0.783  -7.541
  163    HD1  PHE  71           HD1      PHE  71   4.312   1.455  -5.716
  164    HD2  PHE  71           HD2      PHE  71   4.184  -2.367  -7.672
  165    HE1  PHE  71           HE1      PHE  71   2.938   0.551  -3.860
  166    HE2  PHE  71           HE2      PHE  71   2.811  -3.270  -5.815
  167    HZ   PHE  71           HZ       PHE  71   2.188  -1.812  -3.909
  168    H    CYS  72           H        CYS  72   3.500   2.712 -10.552
  169    HA   CYS  72           HA       CYS  72   6.064   3.150 -11.897
  170   1HB   CYS  72          1HB       CYS  72   3.301   4.386 -12.062
  171   2HB   CYS  72          2HB       CYS  72   4.623   4.818 -13.149
  172    H    LEU  73           H        LEU  73   6.224   5.780 -12.378
  173    HA   LEU  73           HA       LEU  73   7.462   6.922 -10.077
  174   1HB   LEU  73          1HB       LEU  73   6.683   7.673 -12.821
  175   2HB   LEU  73          2HB       LEU  73   6.813   9.042 -11.717
  176    HG   LEU  73           HG       LEU  73   9.084   8.223 -11.058
  177   1HD1  LEU  73          1HD1      LEU  73   8.611   6.271 -13.334
  178   2HD1  LEU  73          2HD1      LEU  73  10.148   6.509 -12.503
  179   3HD1  LEU  73          3HD1      LEU  73   8.765   5.850 -11.628
  180   1HD2  LEU  73          1HD2      LEU  73   8.790   9.942 -12.822
  181   2HD2  LEU  73          2HD2      LEU  73  10.194   8.923 -13.140
  182   3HD2  LEU  73          3HD2      LEU  73   8.697   8.666 -14.035
  183    HA   PRO  74           HA       PRO  74   4.079   8.556  -7.780
  184   1HB   PRO  74          1HB       PRO  74   5.109  10.915  -6.835
  185   2HB   PRO  74          2HB       PRO  74   5.571   9.325  -6.196
  186   1HG   PRO  74          1HG       PRO  74   6.991  11.053  -8.171
  187   2HG   PRO  74          2HG       PRO  74   7.647  10.117  -6.817
  188   1HD   PRO  74          1HD       PRO  74   7.794   9.247  -9.364
  189   2HD   PRO  74          2HD       PRO  74   7.604   8.132  -7.991
  190    H    ALA  75           H        ALA  75   5.404  10.331 -10.454
  191    HA   ALA  75           HA       ALA  75   3.153  12.281 -10.442
  192   1HB   ALA  75          1HB       ALA  75   5.748  11.976 -11.972
  193   2HB   ALA  75          2HB       ALA  75   4.555  13.213 -12.369
  194   3HB   ALA  75          3HB       ALA  75   5.335  13.215 -10.787
  195    H    PHE  76           H        PHE  76   3.126   9.226 -11.253
  196    HA   PHE  76           HA       PHE  76   1.901   9.656 -13.963
  197   1HB   PHE  76          1HB       PHE  76   3.520   7.402 -12.755
  198   2HB   PHE  76          2HB       PHE  76   2.596   7.201 -14.244
  199    HD1  PHE  76           HD1      PHE  76   5.078   9.548 -12.682
  200    HD2  PHE  76           HD2      PHE  76   3.619   7.709 -16.279
  201    HE1  PHE  76           HE1      PHE  76   6.915  10.603 -13.965
  202    HE2  PHE  76           HE2      PHE  76   5.460   8.765 -17.562
  203    HZ   PHE  76           HZ       PHE  76   7.109  10.209 -16.402
  204    H    GLU  77           H        GLU  77  -0.056   8.488 -14.375
  205    HA   GLU  77           HA       GLU  77  -1.276   7.004 -12.090
  206   1HB   GLU  77          1HB       GLU  77  -1.753   9.646 -12.484
  207   2HB   GLU  77          2HB       GLU  77  -2.991   8.955 -13.534
  208   1HG   GLU  77          1HG       GLU  77  -4.173   8.940 -11.558
  209   2HG   GLU  77          2HG       GLU  77  -3.362   7.382 -11.394
  210    H    GLY  78           H        GLY  78  -3.457   6.040 -12.874
  211   1HA   GLY  78          1HA       GLY  78  -4.791   5.338 -14.850
  212   2HA   GLY  78          2HA       GLY  78  -3.283   5.291 -15.765
  213    H    ARG  79           H        ARG  79  -5.110   3.074 -15.475
  214    HA   ARG  79           HA       ARG  79  -4.373   1.172 -13.485
  215   1HB   ARG  79          1HB       ARG  79  -6.204   1.292 -15.426
  216   2HB   ARG  79          2HB       ARG  79  -5.007   0.324 -16.288
  217   1HG   ARG  79          1HG       ARG  79  -6.108  -1.395 -15.238
  218   2HG   ARG  79          2HG       ARG  79  -4.995  -0.983 -13.932
  219   1HD   ARG  79          1HD       ARG  79  -6.664  -0.129 -12.619
  220   2HD   ARG  79          2HD       ARG  79  -7.492   0.619 -13.999
  221    HE   ARG  79           HE       ARG  79  -8.779  -1.341 -14.196
  222   1HH1  ARG  79          1HH1      ARG  79  -6.015  -1.952 -12.163
  223   2HH1  ARG  79          2HH1      ARG  79  -6.369  -3.637 -12.007
  224   1HH2  ARG  79          1HH2      ARG  79  -9.131  -3.561 -14.087
  225   2HH2  ARG  79          2HH2      ARG  79  -8.114  -4.541 -13.083
  226    H    ASN  80           H        ASN  80  -3.093   1.631 -16.792
  227    HA   ASN  80           HA       ASN  80  -0.769  -0.124 -16.097
  228   1HB   ASN  80          1HB       ASN  80  -1.993   0.815 -18.712
  229   2HB   ASN  80          2HB       ASN  80  -0.540  -0.180 -18.609
  230   1HD2  ASN  80          2HD2      ASN  80  -1.170  -2.012 -16.616
  231   2HD2  ASN  80          1HD2      ASN  80  -2.529  -2.925 -17.064
  232    H    CYS  81           H        CYS  81  -1.121   2.749 -15.307
  233    HA   CYS  81           HA       CYS  81   0.152   4.730 -15.236
  234   1HB   CYS  81          1HB       CYS  81   2.206   2.800 -16.367
  235   2HB   CYS  81          2HB       CYS  81   2.576   4.366 -15.649
  236    H    GLU  82           H        GLU  82  -1.513   4.597 -17.470
  237    HA   GLU  82           HA       GLU  82   0.184   5.502 -19.761
  238   1HB   GLU  82          1HB       GLU  82  -1.900   5.097 -21.060
  239   2HB   GLU  82          2HB       GLU  82  -1.395   3.665 -20.167
  240   1HG   GLU  82          1HG       GLU  82  -3.189   5.448 -18.648
  241   2HG   GLU  82          2HG       GLU  82  -3.926   4.750 -20.090
  242    H    THR  83           H        THR  83  -0.718   7.082 -17.238
  243    HA   THR  83           HA       THR  83  -1.750   9.447 -18.749
  244    HB   THR  83           HB       THR  83  -2.765   8.404 -16.083
  245    HG1  THR  83           HG1      THR  83  -3.853   8.373 -18.699
  246   1HG2  THR  83          1HG2      THR  83  -3.386  10.818 -17.770
  247   2HG2  THR  83          2HG2      THR  83  -4.605  10.140 -16.692
  248   3HG2  THR  83          3HG2      THR  83  -3.078  10.730 -16.036
  249    H    HIS  84           H        HIS  84  -0.045  10.856 -18.514
  250    HA   HIS  84           HA       HIS  84   1.686  10.852 -16.151
  251   1HB   HIS  84          1HB       HIS  84   2.034  11.452 -18.742
  252   2HB   HIS  84          2HB       HIS  84   1.645  13.069 -18.154
  253    HD1  HIS  84           HD1      HIS  84   4.540  12.057 -19.116
  254    HD2  HIS  84           HD2      HIS  84   3.273  12.504 -15.170
  255    HE1  HIS  84           HE1      HIS  84   6.633  12.338 -17.718
  256    H    LYS  85           H        LYS  85   1.286  12.009 -14.314
  257    HA   LYS  85           HA       LYS  85  -0.974  13.906 -14.221
  258   1HB   LYS  85          1HB       LYS  85   0.901  12.572 -12.272
  259   2HB   LYS  85          2HB       LYS  85  -0.143  13.892 -11.743
  260   1HG   LYS  85          1HG       LYS  85  -1.363  11.662 -13.324
  261   2HG   LYS  85          2HG       LYS  85  -0.981  11.376 -11.625
  262   1HD   LYS  85          1HD       LYS  85  -2.352  13.237 -10.929
  263   2HD   LYS  85          2HD       LYS  85  -2.590  13.751 -12.599
  264   1HE   LYS  85          1HE       LYS  85  -3.374  10.945 -11.985
  265   2HE   LYS  85          2HE       LYS  85  -4.399  12.220 -11.298
  266   1HZ   LYS  85          1HZ       LYS  85  -3.520  12.085 -14.134
  267   2HZ   LYS  85          2HZ       LYS  85  -5.062  11.638 -13.576
  268   3HZ   LYS  85          3HZ       LYS  85  -4.552  13.252 -13.457
  269    H    ASP  86           H        ASP  86   2.564  13.946 -13.980
  270    HA   ASP  86           HA       ASP  86   4.105  15.737 -13.923
  271   1HB   ASP  86          1HB       ASP  86   2.610  16.013 -16.057
  272   2HB   ASP  86          2HB       ASP  86   1.920  17.382 -15.185
  273    H    ASP  87           H        ASP  87   2.736  15.457 -11.498
  274    HA   ASP  87           HA       ASP  87   2.156  18.293 -10.697
  275   1HB   ASP  87          1HB       ASP  87   0.373  16.400 -10.622
  276   2HB   ASP  87          2HB       ASP  87   1.286  15.797  -9.237
  277    H    GLY  88           H        GLY  88   3.418  19.142  -9.063
  278   1HA   GLY  88          1HA       GLY  88   5.850  17.859  -8.275
  279   2HA   GLY  88          2HA       GLY  88   5.181  19.306  -7.523
  280    H    SER  89           H        SER  89   5.724  15.959  -7.140
  281    HA   SER  89           HA       SER  89   4.048  15.945  -4.647
  282   1HB   SER  89          1HB       SER  89   3.789  13.507  -5.126
  283   2HB   SER  89          2HB       SER  89   3.139  14.513  -6.416
  284    HG   SER  89           HG       SER  89   5.473  12.957  -6.335
  285    H    ALA  90           H        ALA  90   6.060  16.745  -3.569
  286    HA   ALA  90           HA       ALA  90   8.045  16.409  -2.333
  287   1HB   ALA  90          1HB       ALA  90   6.283  14.500  -1.724
  288   2HB   ALA  90          2HB       ALA  90   7.514  13.465  -2.447
  289   3HB   ALA  90          3HB       ALA  90   7.916  14.475  -1.058
  Start of MODEL    6
    1   1H    SER  45          1H        SER  45   0.653 -17.799  -4.757
    2   2H    SER  45          2H        SER  45   1.444 -16.320  -4.491
    3   3H    SER  45          3H        SER  45  -0.241 -16.418  -4.331
    4    HA   SER  45           HA       SER  45   0.276 -15.362  -6.427
    5   1HB   SER  45          1HB       SER  45   1.634 -16.825  -8.030
    6   2HB   SER  45          2HB       SER  45   2.523 -16.159  -6.662
    7    HG   SER  45           HG       SER  45   2.683 -18.102  -5.811
    8    H    ASP  46           H        ASP  46  -2.027 -15.740  -6.484
    9    HA   ASP  46           HA       ASP  46  -3.012 -18.397  -7.351
   10   1HB   ASP  46          1HB       ASP  46  -4.359 -15.762  -6.668
   11   2HB   ASP  46          2HB       ASP  46  -5.214 -17.270  -6.995
   12    H    GLY  47           H        GLY  47  -1.390 -17.290  -9.326
   13   1HA   GLY  47          1HA       GLY  47  -2.348 -17.546 -11.737
   14   2HA   GLY  47          2HA       GLY  47  -3.275 -16.106 -11.313
   15    H    ASP  48           H        ASP  48  -1.799 -15.633 -13.415
   16    HA   ASP  48           HA       ASP  48   0.568 -14.109 -12.388
   17   1HB   ASP  48          1HB       ASP  48   0.747 -16.443 -13.769
   18   2HB   ASP  48          2HB       ASP  48   0.701 -15.296 -15.107
   19    H    GLN  49           H        GLN  49  -0.747 -12.172 -12.519
   20    HA   GLN  49           HA       GLN  49  -2.005 -11.419 -15.069
   21   1HB   GLN  49          1HB       GLN  49  -1.578 -10.093 -12.380
   22   2HB   GLN  49          2HB       GLN  49  -2.425  -9.304 -13.710
   23   1HG   GLN  49          1HG       GLN  49  -4.181 -10.302 -12.522
   24   2HG   GLN  49          2HG       GLN  49  -3.846 -11.497 -13.777
   25   1HE2  GLN  49          2HE2      GLN  49  -3.327 -13.586 -13.069
   26   2HE2  GLN  49          1HE2      GLN  49  -2.940 -13.990 -11.465
   27    H    CYS  50           H        CYS  50   0.961 -10.714 -13.287
   28    HA   CYS  50           HA       CYS  50   1.762  -8.603 -15.213
   29   1HB   CYS  50          1HB       CYS  50   3.002  -9.791 -12.709
   30   2HB   CYS  50          2HB       CYS  50   3.700  -8.449 -13.616
   31    H    ALA  51           H        ALA  51   1.502 -11.122 -16.448
   32    HA   ALA  51           HA       ALA  51   4.163 -12.398 -16.567
   33   1HB   ALA  51          1HB       ALA  51   1.537 -12.841 -18.026
   34   2HB   ALA  51          2HB       ALA  51   2.942 -13.901 -18.147
   35   3HB   ALA  51          3HB       ALA  51   2.101 -13.723 -16.607
   36    H    SER  52           H        SER  52   2.232 -10.114 -18.420
   37    HA   SER  52           HA       SER  52   4.353 -10.074 -20.545
   38   1HB   SER  52          1HB       SER  52   1.852 -10.733 -20.960
   39   2HB   SER  52          2HB       SER  52   1.552  -9.002 -20.829
   40    HG   SER  52           HG       SER  52   1.992  -9.695 -22.988
   41    H    SER  53           H        SER  53   4.189  -8.556 -17.900
   42    HA   SER  53           HA       SER  53   4.464  -6.356 -17.087
   43   1HB   SER  53          1HB       SER  53   6.134  -5.188 -18.348
   44   2HB   SER  53          2HB       SER  53   6.430  -6.903 -18.607
   45    HG   SER  53           HG       SER  53   6.434  -5.598 -20.542
   46    HA   PRO  54           HA       PRO  54   0.851  -4.694 -19.521
   47   1HB   PRO  54          1HB       PRO  54  -0.853  -4.411 -17.400
   48   2HB   PRO  54          2HB       PRO  54  -0.725  -5.908 -18.343
   49   1HG   PRO  54          1HG       PRO  54   0.449  -5.233 -15.694
   50   2HG   PRO  54          2HG       PRO  54  -0.243  -6.759 -16.267
   51   1HD   PRO  54          1HD       PRO  54   2.440  -6.287 -16.100
   52   2HD   PRO  54          2HD       PRO  54   1.710  -7.425 -17.252
   53    H    CYS  55           H        CYS  55   2.414  -3.777 -16.503
   54    HA   CYS  55           HA       CYS  55   1.433  -1.105 -16.236
   55   1HB   CYS  55          1HB       CYS  55   4.142  -2.295 -15.541
   56   2HB   CYS  55          2HB       CYS  55   3.472  -0.815 -14.858
   57    H    GLN  56           H        GLN  56   2.737   0.899 -16.698
   58    HA   GLN  56           HA       GLN  56   4.443   0.644 -19.150
   59   1HB   GLN  56          1HB       GLN  56   1.922   1.319 -19.382
   60   2HB   GLN  56          2HB       GLN  56   2.460   2.873 -18.745
   61   1HG   GLN  56          1HG       GLN  56   3.663   3.388 -20.630
   62   2HG   GLN  56          2HG       GLN  56   4.086   1.705 -20.945
   63   1HE2  GLN  56          2HE2      GLN  56   1.161   3.828 -20.933
   64   2HE2  GLN  56          1HE2      GLN  56   0.437   3.079 -22.273
   65    H    ASN  57           H        ASN  57   5.458   2.964 -19.565
   66    HA   ASN  57           HA       ASN  57   7.021   4.560 -18.801
   67   1HB   ASN  57          1HB       ASN  57   4.713   4.653 -16.868
   68   2HB   ASN  57          2HB       ASN  57   6.099   5.719 -16.645
   69   1HD2  ASN  57          2HD2      ASN  57   3.361   6.561 -17.405
   70   2HD2  ASN  57          1HD2      ASN  57   3.496   7.308 -18.922
   71    H    GLY  58           H        GLY  58   7.632   1.843 -18.076
   72   1HA   GLY  58          1HA       GLY  58   9.116   0.678 -16.683
   73   2HA   GLY  58          2HA       GLY  58   9.641   2.253 -16.088
   74    H    GLY  59           H        GLY  59   6.298   1.212 -15.869
   75   1HA   GLY  59          1HA       GLY  59   6.306   1.620 -12.984
   76   2HA   GLY  59          2HA       GLY  59   4.928   1.086 -13.949
   77    H    SER  60           H        SER  60   6.018   0.002 -11.380
   78    HA   SER  60           HA       SER  60   7.070  -2.662 -12.130
   79   1HB   SER  60          1HB       SER  60   7.106  -0.886  -9.873
   80   2HB   SER  60          2HB       SER  60   6.416  -2.421  -9.354
   81    HG   SER  60           HG       SER  60   8.880  -1.995 -10.702
   82    H    CYS  61           H        CYS  61   5.774  -4.447 -12.330
   83    HA   CYS  61           HA       CYS  61   2.871  -4.171 -11.719
   84   1HB   CYS  61          1HB       CYS  61   3.964  -4.913 -13.961
   85   2HB   CYS  61          2HB       CYS  61   4.251  -6.448 -13.140
   86    H    LYS  62           H        LYS  62   1.962  -5.292 -10.035
   87    HA   LYS  62           HA       LYS  62   3.548  -7.505  -8.772
   88   1HB   LYS  62          1HB       LYS  62   3.182  -4.997  -7.745
   89   2HB   LYS  62          2HB       LYS  62   1.791  -5.840  -7.061
   90   1HG   LYS  62          1HG       LYS  62   3.323  -6.408  -5.451
   91   2HG   LYS  62          2HG       LYS  62   3.688  -7.697  -6.598
   92   1HD   LYS  62          1HD       LYS  62   5.674  -6.746  -7.248
   93   2HD   LYS  62          2HD       LYS  62   5.082  -5.100  -7.018
   94   1HE   LYS  62          1HE       LYS  62   6.735  -5.522  -5.291
   95   2HE   LYS  62          2HE       LYS  62   5.143  -5.556  -4.505
   96   1HZ   LYS  62          1HZ       LYS  62   6.458  -7.969  -5.625
   97   2HZ   LYS  62          2HZ       LYS  62   6.603  -7.512  -3.998
   98   3HZ   LYS  62          3HZ       LYS  62   5.078  -7.907  -4.636
   99    H    ASP  63           H        ASP  63   2.313  -9.291  -8.127
  100    HA   ASP  63           HA       ASP  63  -0.393  -9.509  -9.238
  101   1HB   ASP  63          1HB       ASP  63  -0.127 -11.857  -8.540
  102   2HB   ASP  63          2HB       ASP  63   1.321 -11.299  -9.372
  103    H    GLN  64           H        GLN  64  -2.208  -9.009  -8.099
  104    HA   GLN  64           HA       GLN  64  -2.128  -9.199  -5.103
  105   1HB   GLN  64          1HB       GLN  64  -3.412  -7.107  -6.893
  106   2HB   GLN  64          2HB       GLN  64  -3.554  -7.153  -5.136
  107   1HG   GLN  64          1HG       GLN  64  -0.896  -7.023  -6.582
  108   2HG   GLN  64          2HG       GLN  64  -1.759  -5.593  -6.013
  109   1HE2  GLN  64          2HE2      GLN  64   0.250  -8.269  -5.020
  110   2HE2  GLN  64          1HE2      GLN  64   0.290  -7.886  -3.367
  111    H    LEU  65           H        LEU  65  -3.052 -11.264  -6.870
  112    HA   LEU  65           HA       LEU  65  -4.895 -12.698  -7.159
  113   1HB   LEU  65          1HB       LEU  65  -5.325 -11.166  -4.691
  114   2HB   LEU  65          2HB       LEU  65  -6.838 -11.701  -5.419
  115    HG   LEU  65           HG       LEU  65  -5.904 -14.014  -5.557
  116   1HD1  LEU  65          1HD1      LEU  65  -3.583 -12.622  -4.229
  117   2HD1  LEU  65          2HD1      LEU  65  -3.865 -14.343  -3.973
  118   3HD1  LEU  65          3HD1      LEU  65  -3.565 -13.732  -5.600
  119   1HD2  LEU  65          1HD2      LEU  65  -5.944 -12.692  -2.827
  120   2HD2  LEU  65          2HD2      LEU  65  -7.311 -13.431  -3.660
  121   3HD2  LEU  65          3HD2      LEU  65  -5.983 -14.436  -3.083
  122    H    GLN  66           H        GLN  66  -6.923 -12.771  -8.282
  123    HA   GLN  66           HA       GLN  66  -8.532 -12.004  -9.820
  124   1HB   GLN  66          1HB       GLN  66  -8.463 -10.180  -7.542
  125   2HB   GLN  66          2HB       GLN  66  -8.975  -9.348  -9.009
  126   1HG   GLN  66          1HG       GLN  66 -10.604 -11.260  -9.392
  127   2HG   GLN  66          2HG       GLN  66 -10.209 -11.816  -7.765
  128   1HE2  GLN  66          2HE2      GLN  66 -12.051 -11.244  -6.557
  129   2HE2  GLN  66          1HE2      GLN  66 -12.707  -9.679  -6.500
  130    H    SER  67           H        SER  67  -7.077  -8.794  -9.302
  131    HA   SER  67           HA       SER  67  -6.181  -8.835 -12.163
  132   1HB   SER  67          1HB       SER  67  -6.772  -6.430 -10.423
  133   2HB   SER  67          2HB       SER  67  -6.721  -6.508 -12.183
  134    HG   SER  67           HG       SER  67  -8.820  -6.709 -11.846
  135    H    TYR  68           H        TYR  68  -4.639  -6.395 -11.836
  136    HA   TYR  68           HA       TYR  68  -2.437  -7.294 -10.011
  137   1HB   TYR  68          1HB       TYR  68  -0.872  -6.644 -11.850
  138   2HB   TYR  68          2HB       TYR  68  -1.948  -7.960 -12.315
  139    HD1  TYR  68           HD1      TYR  68  -1.271  -4.334 -12.687
  140    HD2  TYR  68           HD2      TYR  68  -3.638  -7.666 -14.012
  141    HE1  TYR  68           HE1      TYR  68  -2.099  -2.987 -14.597
  142    HE2  TYR  68           HE2      TYR  68  -4.465  -6.318 -15.922
  143    HH   TYR  68           HH       TYR  68  -4.755  -3.788 -16.395
  144    H    ILE  69           H        ILE  69  -0.764  -5.419  -9.831
  145    HA   ILE  69           HA       ILE  69  -2.145  -2.762  -9.814
  146    HB   ILE  69           HB       ILE  69  -2.213  -3.812  -7.580
  147   1HG1  ILE  69          1HG1      ILE  69  -0.113  -1.627  -7.671
  148   2HG1  ILE  69          2HG1      ILE  69  -1.847  -1.341  -7.822
  149   1HG2  ILE  69          1HG2      ILE  69  -0.186  -5.258  -7.944
  150   2HG2  ILE  69          2HG2      ILE  69   0.815  -3.824  -7.713
  151   3HG2  ILE  69          3HG2      ILE  69  -0.192  -4.419  -6.394
  152   1HD1  ILE  69          1HD1      ILE  69  -1.895  -2.806  -5.584
  153   2HD1  ILE  69          2HD1      ILE  69  -0.263  -2.155  -5.428
  154   3HD1  ILE  69          3HD1      ILE  69  -1.641  -1.060  -5.544
  155    H    CYS  70           H        CYS  70  -0.907  -1.249 -10.850
  156    HA   CYS  70           HA       CYS  70   1.931  -1.909 -11.472
  157   1HB   CYS  70          1HB       CYS  70  -0.171  -0.034 -12.562
  158   2HB   CYS  70          2HB       CYS  70   1.520   0.106 -13.041
  159    H    PHE  71           H        PHE  71   3.596  -0.740 -10.598
  160    HA   PHE  71           HA       PHE  71   2.944   1.445  -8.682
  161   1HB   PHE  71          1HB       PHE  71   5.278  -0.382  -9.247
  162   2HB   PHE  71          2HB       PHE  71   5.493   1.054  -8.246
  163    HD1  PHE  71           HD1      PHE  71   3.526   1.383  -6.429
  164    HD2  PHE  71           HD2      PHE  71   4.732  -2.361  -8.153
  165    HE1  PHE  71           HE1      PHE  71   2.558   0.178  -4.489
  166    HE2  PHE  71           HE2      PHE  71   3.763  -3.567  -6.215
  167    HZ   PHE  71           HZ       PHE  71   2.677  -2.297  -4.382
  168    H    CYS  72           H        CYS  72   2.555   3.165 -10.189
  169    HA   CYS  72           HA       CYS  72   4.398   3.814 -12.341
  170   1HB   CYS  72          1HB       CYS  72   2.285   5.494 -10.945
  171   2HB   CYS  72          2HB       CYS  72   2.972   5.807 -12.536
  172    H    LEU  73           H        LEU  73   5.067   6.349 -12.265
  173    HA   LEU  73           HA       LEU  73   7.109   6.550 -10.174
  174   1HB   LEU  73          1HB       LEU  73   6.445   7.675 -12.776
  175   2HB   LEU  73          2HB       LEU  73   6.933   8.946 -11.656
  176    HG   LEU  73           HG       LEU  73   8.982   7.630 -11.120
  177   1HD1  LEU  73          1HD1      LEU  73   7.894   5.821 -13.294
  178   2HD1  LEU  73          2HD1      LEU  73   9.546   5.743 -12.680
  179   3HD1  LEU  73          3HD1      LEU  73   8.189   5.390 -11.610
  180   1HD2  LEU  73          1HD2      LEU  73   8.427   8.348 -14.006
  181   2HD2  LEU  73          2HD2      LEU  73   9.234   9.332 -12.784
  182   3HD2  LEU  73          3HD2      LEU  73  10.033   7.899 -13.430
  183    HA   PRO  74           HA       PRO  74   5.048   9.207  -7.345
  184   1HB   PRO  74          1HB       PRO  74   6.713  11.358  -6.989
  185   2HB   PRO  74          2HB       PRO  74   7.040   9.747  -6.317
  186   1HG   PRO  74          1HG       PRO  74   8.130  11.022  -8.784
  187   2HG   PRO  74          2HG       PRO  74   8.962  10.054  -7.556
  188   1HD   PRO  74          1HD       PRO  74   8.217   9.024  -9.932
  189   2HD   PRO  74          2HD       PRO  74   8.227   8.054  -8.442
  190    H    ALA  75           H        ALA  75   6.029  10.661 -10.380
  191    HA   ALA  75           HA       ALA  75   3.915  12.763 -10.061
  192   1HB   ALA  75          1HB       ALA  75   6.576  12.564 -11.402
  193   2HB   ALA  75          2HB       ALA  75   5.359  13.582 -12.171
  194   3HB   ALA  75          3HB       ALA  75   5.868  13.914 -10.515
  195    H    PHE  76           H        PHE  76   3.766   9.793 -11.041
  196    HA   PHE  76           HA       PHE  76   2.632  10.348 -13.765
  197   1HB   PHE  76          1HB       PHE  76   3.960   7.998 -12.428
  198   2HB   PHE  76          2HB       PHE  76   2.929   7.746 -13.835
  199    HD1  PHE  76           HD1      PHE  76   5.603  10.188 -12.779
  200    HD2  PHE  76           HD2      PHE  76   4.033   7.647 -15.868
  201    HE1  PHE  76           HE1      PHE  76   7.465  10.850 -14.268
  202    HE2  PHE  76           HE2      PHE  76   5.902   8.309 -17.357
  203    HZ   PHE  76           HZ       PHE  76   7.619   9.907 -16.553
  204    H    GLU  77           H        GLU  77   0.709   8.914 -14.290
  205    HA   GLU  77           HA       GLU  77  -0.888   8.018 -11.951
  206   1HB   GLU  77          1HB       GLU  77  -1.099  10.584 -12.827
  207   2HB   GLU  77          2HB       GLU  77  -2.291   9.803 -13.865
  208   1HG   GLU  77          1HG       GLU  77  -2.950   8.657 -11.516
  209   2HG   GLU  77          2HG       GLU  77  -2.311  10.187 -10.916
  210    H    GLY  78           H        GLY  78  -3.048   7.067 -12.820
  211   1HA   GLY  78          1HA       GLY  78  -4.234   6.111 -14.764
  212   2HA   GLY  78          2HA       GLY  78  -2.668   5.901 -15.547
  213    H    ARG  79           H        ARG  79  -4.613   3.809 -15.104
  214    HA   ARG  79           HA       ARG  79  -3.932   2.172 -12.826
  215   1HB   ARG  79          1HB       ARG  79  -6.013   2.026 -14.189
  216   2HB   ARG  79          2HB       ARG  79  -5.059   1.433 -15.548
  217   1HG   ARG  79          1HG       ARG  79  -4.731  -0.633 -14.599
  218   2HG   ARG  79          2HG       ARG  79  -4.732   0.006 -12.955
  219   1HD   ARG  79          1HD       ARG  79  -6.803  -1.042 -12.940
  220   2HD   ARG  79          2HD       ARG  79  -7.300   0.526 -13.605
  221    HE   ARG  79           HE       ARG  79  -6.567  -0.754 -15.871
  222   1HH1  ARG  79          1HH1      ARG  79  -8.732  -1.586 -13.271
  223   2HH1  ARG  79          2HH1      ARG  79  -9.538  -2.809 -14.190
  224   1HH2  ARG  79          1HH2      ARG  79  -7.545  -2.444 -16.994
  225   2HH2  ARG  79          2HH2      ARG  79  -8.876  -3.290 -16.278
  226    H    ASN  80           H        ASN  80  -2.791   2.250 -16.201
  227    HA   ASN  80           HA       ASN  80  -0.669   0.253 -15.499
  228   1HB   ASN  80          1HB       ASN  80  -2.114   1.089 -18.011
  229   2HB   ASN  80          2HB       ASN  80  -0.572   0.239 -18.113
  230   1HD2  ASN  80          2HD2      ASN  80  -3.529  -0.612 -18.652
  231   2HD2  ASN  80          1HD2      ASN  80  -3.669  -2.078 -17.807
  232    H    CYS  81           H        CYS  81  -0.617   3.180 -14.876
  233    HA   CYS  81           HA       CYS  81   0.898   4.985 -14.993
  234   1HB   CYS  81          1HB       CYS  81   2.669   2.832 -16.203
  235   2HB   CYS  81          2HB       CYS  81   3.218   4.320 -15.444
  236    H    GLU  82           H        GLU  82  -0.903   5.111 -17.032
  237    HA   GLU  82           HA       GLU  82   0.743   5.719 -19.467
  238   1HB   GLU  82          1HB       GLU  82  -1.370   5.255 -20.701
  239   2HB   GLU  82          2HB       GLU  82  -0.852   3.870 -19.742
  240   1HG   GLU  82          1HG       GLU  82  -2.487   4.293 -18.059
  241   2HG   GLU  82          2HG       GLU  82  -2.819   5.909 -18.684
  242    H    THR  83           H        THR  83  -0.056   7.449 -17.036
  243    HA   THR  83           HA       THR  83  -1.109   9.736 -18.643
  244    HB   THR  83           HB       THR  83  -2.121   8.819 -15.931
  245    HG1  THR  83           HG1      THR  83  -3.995   8.316 -17.118
  246   1HG2  THR  83          1HG2      THR  83  -2.939  11.086 -17.764
  247   2HG2  THR  83          2HG2      THR  83  -3.878  10.559 -16.367
  248   3HG2  THR  83          3HG2      THR  83  -2.262  11.228 -16.142
  249    H    HIS  84           H        HIS  84   0.758  10.986 -18.517
  250    HA   HIS  84           HA       HIS  84   2.354  11.168 -16.064
  251   1HB   HIS  84          1HB       HIS  84   2.972  11.334 -18.628
  252   2HB   HIS  84          2HB       HIS  84   2.550  13.033 -18.413
  253    HD1  HIS  84           HD1      HIS  84   5.510  11.814 -18.851
  254    HD2  HIS  84           HD2      HIS  84   3.876  13.139 -15.253
  255    HE1  HIS  84           HE1      HIS  84   7.464  12.397 -17.349
  256    H    LYS  85           H        LYS  85   2.091  12.688 -14.473
  257    HA   LYS  85           HA       LYS  85  -0.104  14.650 -14.699
  258   1HB   LYS  85          1HB       LYS  85   1.842  13.895 -12.492
  259   2HB   LYS  85          2HB       LYS  85   0.464  14.977 -12.287
  260   1HG   LYS  85          1HG       LYS  85  -0.097  12.327 -13.520
  261   2HG   LYS  85          2HG       LYS  85   0.302  12.332 -11.801
  262   1HD   LYS  85          1HD       LYS  85  -1.796  14.138 -13.031
  263   2HD   LYS  85          2HD       LYS  85  -2.165  12.575 -12.300
  264   1HE   LYS  85          1HE       LYS  85  -1.880  13.368 -10.171
  265   2HE   LYS  85          2HE       LYS  85  -0.498  14.381 -10.634
  266   1HZ   LYS  85          1HZ       LYS  85  -2.031  15.869 -11.784
  267   2HZ   LYS  85          2HZ       LYS  85  -3.349  14.921 -11.285
  268   3HZ   LYS  85          3HZ       LYS  85  -2.422  15.755 -10.135
  269    H    ASP  86           H        ASP  86   0.845  16.739 -13.151
  270    HA   ASP  86           HA       ASP  86   1.992  18.794 -13.364
  271   1HB   ASP  86          1HB       ASP  86   3.740  16.787 -12.869
  272   2HB   ASP  86          2HB       ASP  86   4.384  17.363 -14.406
  273    H    ASP  87           H        ASP  87   0.403  18.313 -15.585
  274    HA   ASP  87           HA       ASP  87   2.110  18.857 -17.975
  275   1HB   ASP  87          1HB       ASP  87   0.384  17.015 -17.921
  276   2HB   ASP  87          2HB       ASP  87  -0.856  18.258 -17.749
  277    H    GLY  88           H        GLY  88   2.504  21.112 -17.173
  278   1HA   GLY  88          1HA       GLY  88   0.203  22.892 -17.862
  279   2HA   GLY  88          2HA       GLY  88   1.205  23.226 -16.449
  280    H    SER  89           H        SER  89   3.661  23.292 -17.007
  281    HA   SER  89           HA       SER  89   5.381  24.477 -18.110
  282   1HB   SER  89          1HB       SER  89   4.568  22.502 -19.668
  283   2HB   SER  89          2HB       SER  89   3.978  23.817 -20.683
  284    HG   SER  89           HG       SER  89   5.960  24.083 -21.295
  285    H    ALA  90           H        ALA  90   3.232  26.131 -17.258
  286    HA   ALA  90           HA       ALA  90   3.342  28.266 -19.345
  287   1HB   ALA  90          1HB       ALA  90   1.175  26.684 -19.066
  288   2HB   ALA  90          2HB       ALA  90   0.807  27.882 -17.825
  289   3HB   ALA  90          3HB       ALA  90   1.045  28.389 -19.498
  Start of MODEL    7
    1   1H    SER  45          1H        SER  45  -3.451 -16.621  -3.987
    2   2H    SER  45          2H        SER  45  -5.126 -16.517  -3.722
    3   3H    SER  45          3H        SER  45  -4.270 -17.902  -3.235
    4    HA   SER  45           HA       SER  45  -3.866 -18.553  -5.488
    5   1HB   SER  45          1HB       SER  45  -6.362 -18.613  -6.170
    6   2HB   SER  45          2HB       SER  45  -5.939 -19.303  -4.606
    7    HG   SER  45           HG       SER  45  -6.851 -17.639  -3.610
    8    H    ASP  46           H        ASP  46  -2.586 -16.903  -6.600
    9    HA   ASP  46           HA       ASP  46  -4.251 -15.082  -8.308
   10   1HB   ASP  46          1HB       ASP  46  -2.382 -13.449  -8.080
   11   2HB   ASP  46          2HB       ASP  46  -3.102 -13.845  -6.521
   12    H    GLY  47           H        GLY  47  -3.880 -15.378 -10.468
   13   1HA   GLY  47          1HA       GLY  47  -1.843 -17.296 -11.339
   14   2HA   GLY  47          2HA       GLY  47  -3.015 -16.484 -12.379
   15    H    ASP  48           H        ASP  48  -1.449 -15.848 -13.924
   16    HA   ASP  48           HA       ASP  48   0.697 -13.989 -12.983
   17   1HB   ASP  48          1HB       ASP  48   0.816 -16.182 -14.565
   18   2HB   ASP  48          2HB       ASP  48   0.524 -14.952 -15.794
   19    H    GLN  49           H        GLN  49   0.105 -11.864 -13.122
   20    HA   GLN  49           HA       GLN  49  -1.726 -11.023 -15.345
   21   1HB   GLN  49          1HB       GLN  49  -1.156  -9.859 -12.600
   22   2HB   GLN  49          2HB       GLN  49  -2.272  -9.158 -13.774
   23   1HG   GLN  49          1HG       GLN  49  -3.795 -10.437 -12.637
   24   2HG   GLN  49          2HG       GLN  49  -3.211 -11.689 -13.735
   25   1HE2  GLN  49          2HE2      GLN  49  -3.610 -13.381 -12.116
   26   2HE2  GLN  49          1HE2      GLN  49  -2.604 -13.547 -10.760
   27    H    CYS  50           H        CYS  50   1.362 -10.450 -13.757
   28    HA   CYS  50           HA       CYS  50   1.909  -8.059 -15.442
   29   1HB   CYS  50          1HB       CYS  50   3.370  -9.455 -13.178
   30   2HB   CYS  50          2HB       CYS  50   3.953  -7.991 -13.970
   31    H    ALA  51           H        ALA  51   1.740 -10.854 -16.566
   32    HA   ALA  51           HA       ALA  51   4.538 -11.520 -17.255
   33   1HB   ALA  51          1HB       ALA  51   2.548 -13.100 -16.703
   34   2HB   ALA  51          2HB       ALA  51   2.017 -12.765 -18.351
   35   3HB   ALA  51          3HB       ALA  51   3.583 -13.526 -18.067
   36    H    SER  52           H        SER  52   1.750  -9.918 -18.678
   37    HA   SER  52           HA       SER  52   3.083  -9.835 -21.348
   38   1HB   SER  52          1HB       SER  52   0.748  -8.854 -21.906
   39   2HB   SER  52          2HB       SER  52   0.835 -10.557 -21.467
   40    HG   SER  52           HG       SER  52  -0.621  -8.735 -20.332
   41    H    SER  53           H        SER  53   3.720  -8.127 -18.817
   42    HA   SER  53           HA       SER  53   4.202  -5.874 -18.304
   43   1HB   SER  53          1HB       SER  53   5.444  -4.861 -20.062
   44   2HB   SER  53          2HB       SER  53   5.601  -6.593 -20.336
   45    HG   SER  53           HG       SER  53   4.933  -5.977 -22.261
   46    HA   PRO  54           HA       PRO  54   0.004  -4.423 -19.857
   47   1HB   PRO  54          1HB       PRO  54  -1.252  -4.300 -17.428
   48   2HB   PRO  54          2HB       PRO  54  -1.257  -5.752 -18.448
   49   1HG   PRO  54          1HG       PRO  54   0.404  -5.123 -16.061
   50   2HG   PRO  54          2HG       PRO  54  -0.340  -6.654 -16.545
   51   1HD   PRO  54          1HD       PRO  54   2.300  -6.093 -16.904
   52   2HD   PRO  54          2HD       PRO  54   1.383  -7.199 -17.950
   53    H    CYS  55           H        CYS  55   2.147  -3.529 -17.219
   54    HA   CYS  55           HA       CYS  55   1.159  -0.708 -17.309
   55   1HB   CYS  55          1HB       CYS  55   2.873  -2.278 -15.355
   56   2HB   CYS  55          2HB       CYS  55   2.458  -0.574 -15.155
   57    H    GLN  56           H        GLN  56   2.570   0.955 -17.910
   58    HA   GLN  56           HA       GLN  56   5.287   0.117 -18.876
   59   1HB   GLN  56          1HB       GLN  56   4.899   1.740 -20.706
   60   2HB   GLN  56          2HB       GLN  56   3.613   0.540 -20.649
   61   1HG   GLN  56          1HG       GLN  56   2.129   2.075 -19.517
   62   2HG   GLN  56          2HG       GLN  56   3.425   3.258 -19.325
   63   1HE2  GLN  56          2HE2      GLN  56   0.811   2.432 -21.310
   64   2HE2  GLN  56          1HE2      GLN  56   1.263   3.302 -22.695
   65    H    ASN  57           H        ASN  57   5.929   2.918 -19.556
   66    HA   ASN  57           HA       ASN  57   6.997   4.758 -18.556
   67   1HB   ASN  57          1HB       ASN  57   4.516   4.278 -16.914
   68   2HB   ASN  57          2HB       ASN  57   5.625   5.578 -16.482
   69   1HD2  ASN  57          2HD2      ASN  57   2.911   6.007 -17.480
   70   2HD2  ASN  57          1HD2      ASN  57   3.045   6.819 -18.964
   71    H    GLY  58           H        GLY  58   7.767   1.972 -17.718
   72   1HA   GLY  58          1HA       GLY  58   9.237   0.986 -16.181
   73   2HA   GLY  58          2HA       GLY  58   9.685   2.627 -15.720
   74    H    GLY  59           H        GLY  59   6.437   1.248 -15.472
   75   1HA   GLY  59          1HA       GLY  59   6.293   2.032 -12.661
   76   2HA   GLY  59          2HA       GLY  59   5.008   1.255 -13.587
   77    H    SER  60           H        SER  60   5.324   0.296 -11.102
   78    HA   SER  60           HA       SER  60   7.003  -2.178 -11.346
   79   1HB   SER  60          1HB       SER  60   6.263  -0.282  -9.213
   80   2HB   SER  60          2HB       SER  60   6.160  -1.973  -8.730
   81    HG   SER  60           HG       SER  60   8.387  -0.714  -9.971
   82    H    CYS  61           H        CYS  61   5.703  -3.809 -12.149
   83    HA   CYS  61           HA       CYS  61   2.819  -3.890 -11.520
   84   1HB   CYS  61          1HB       CYS  61   4.047  -4.366 -13.758
   85   2HB   CYS  61          2HB       CYS  61   4.439  -5.930 -13.044
   86    H    LYS  62           H        LYS  62   1.978  -5.107  -9.900
   87    HA   LYS  62           HA       LYS  62   3.652  -7.303  -8.721
   88   1HB   LYS  62          1HB       LYS  62   2.268  -4.947  -7.606
   89   2HB   LYS  62          2HB       LYS  62   1.944  -6.445  -6.732
   90   1HG   LYS  62          1HG       LYS  62   4.779  -5.978  -7.478
   91   2HG   LYS  62          2HG       LYS  62   4.117  -4.888  -6.259
   92   1HD   LYS  62          1HD       LYS  62   3.884  -7.906  -6.112
   93   2HD   LYS  62          2HD       LYS  62   5.156  -6.982  -5.311
   94   1HE   LYS  62          1HE       LYS  62   2.390  -6.009  -4.832
   95   2HE   LYS  62          2HE       LYS  62   2.801  -7.572  -4.098
   96   1HZ   LYS  62          1HZ       LYS  62   4.856  -6.564  -3.256
   97   2HZ   LYS  62          2HZ       LYS  62   4.375  -5.059  -3.880
   98   3HZ   LYS  62          3HZ       LYS  62   3.481  -5.791  -2.635
   99    H    ASP  63           H        ASP  63   2.491  -9.205  -8.130
  100    HA   ASP  63           HA       ASP  63  -0.115  -9.544  -9.506
  101   1HB   ASP  63          1HB       ASP  63   0.360 -11.942  -9.083
  102   2HB   ASP  63          2HB       ASP  63   1.730 -11.142  -9.851
  103    H    GLN  64           H        GLN  64  -1.981  -9.317  -8.364
  104    HA   GLN  64           HA       GLN  64  -1.905  -9.676  -5.388
  105   1HB   GLN  64          1HB       GLN  64  -3.495  -7.991  -7.318
  106   2HB   GLN  64          2HB       GLN  64  -4.115  -8.307  -5.698
  107   1HG   GLN  64          1HG       GLN  64  -1.353  -7.195  -6.246
  108   2HG   GLN  64          2HG       GLN  64  -2.757  -6.190  -5.887
  109   1HE2  GLN  64          2HE2      GLN  64  -0.121  -7.528  -4.394
  110   2HE2  GLN  64          1HE2      GLN  64  -0.741  -7.712  -2.825
  111    H    LEU  65           H        LEU  65  -4.559 -10.057  -4.858
  112    HA   LEU  65           HA       LEU  65  -4.992 -12.830  -5.632
  113   1HB   LEU  65          1HB       LEU  65  -6.186 -10.758  -3.868
  114   2HB   LEU  65          2HB       LEU  65  -7.276 -12.043  -4.388
  115    HG   LEU  65           HG       LEU  65  -4.575 -12.887  -3.469
  116   1HD1  LEU  65          1HD1      LEU  65  -6.739 -11.921  -1.574
  117   2HD1  LEU  65          2HD1      LEU  65  -5.278 -12.786  -1.096
  118   3HD1  LEU  65          3HD1      LEU  65  -5.157 -11.174  -1.801
  119   1HD2  LEU  65          1HD2      LEU  65  -7.426 -13.873  -3.209
  120   2HD2  LEU  65          2HD2      LEU  65  -6.111 -14.601  -4.131
  121   3HD2  LEU  65          3HD2      LEU  65  -6.078 -14.640  -2.368
  122    H    GLN  66           H        GLN  66  -5.805 -13.356  -7.614
  123    HA   GLN  66           HA       GLN  66  -7.103 -13.282  -9.587
  124   1HB   GLN  66          1HB       GLN  66  -8.832 -12.233  -7.362
  125   2HB   GLN  66          2HB       GLN  66  -9.469 -12.291  -9.006
  126   1HG   GLN  66          1HG       GLN  66  -9.264 -14.635  -9.134
  127   2HG   GLN  66          2HG       GLN  66  -8.133 -14.701  -7.782
  128   1HE2  GLN  66          2HE2      GLN  66  -9.043 -14.294  -5.581
  129   2HE2  GLN  66          1HE2      GLN  66 -10.693 -14.566  -5.290
  130    H    SER  67           H        SER  67  -5.390 -10.839  -8.833
  131    HA   SER  67           HA       SER  67  -6.202  -9.142 -11.047
  132   1HB   SER  67          1HB       SER  67  -6.733  -7.167  -9.566
  133   2HB   SER  67          2HB       SER  67  -7.906  -8.474  -9.445
  134    HG   SER  67           HG       SER  67  -7.454  -8.222  -7.384
  135    H    TYR  68           H        TYR  68  -4.792  -7.055 -10.994
  136    HA   TYR  68           HA       TYR  68  -2.138  -7.707  -9.753
  137   1HB   TYR  68          1HB       TYR  68  -1.198  -6.535 -11.748
  138   2HB   TYR  68          2HB       TYR  68  -2.171  -7.937 -12.191
  139    HD1  TYR  68           HD1      TYR  68  -2.216  -4.224 -11.898
  140    HD2  TYR  68           HD2      TYR  68  -4.143  -7.710 -13.509
  141    HE1  TYR  68           HE1      TYR  68  -3.673  -2.777 -13.285
  142    HE2  TYR  68           HE2      TYR  68  -5.601  -6.261 -14.897
  143    HH   TYR  68           HH       TYR  68  -6.040  -3.047 -14.365
  144    H    ILE  69           H        ILE  69  -0.760  -5.640  -9.565
  145    HA   ILE  69           HA       ILE  69  -2.324  -3.178  -9.023
  146    HB   ILE  69           HB       ILE  69  -2.420  -4.544  -6.971
  147   1HG1  ILE  69          1HG1      ILE  69  -0.367  -2.501  -6.264
  148   2HG1  ILE  69          2HG1      ILE  69  -1.822  -1.932  -7.086
  149   1HG2  ILE  69          1HG2      ILE  69  -0.168  -5.702  -7.586
  150   2HG2  ILE  69          2HG2      ILE  69   0.575  -4.343  -6.743
  151   3HG2  ILE  69          3HG2      ILE  69  -0.529  -5.414  -5.884
  152   1HD1  ILE  69          1HD1      ILE  69  -2.937  -3.599  -5.256
  153   2HD1  ILE  69          2HD1      ILE  69  -1.511  -3.069  -4.363
  154   3HD1  ILE  69          3HD1      ILE  69  -2.668  -1.880  -4.962
  155    H    CYS  70           H        CYS  70  -1.145  -1.807 -10.325
  156    HA   CYS  70           HA       CYS  70   1.807  -2.092 -10.432
  157   1HB   CYS  70          1HB       CYS  70  -0.333  -0.785 -12.081
  158   2HB   CYS  70          2HB       CYS  70   1.351  -0.307 -12.291
  159    H    PHE  71           H        PHE  71   3.194  -0.520  -9.692
  160    HA   PHE  71           HA       PHE  71   1.990   1.796  -8.224
  161   1HB   PHE  71          1HB       PHE  71   4.683   0.398  -8.030
  162   2HB   PHE  71          2HB       PHE  71   4.162   1.733  -7.002
  163    HD1  PHE  71           HD1      PHE  71   2.252   1.434  -5.426
  164    HD2  PHE  71           HD2      PHE  71   3.867  -1.838  -7.692
  165    HE1  PHE  71           HE1      PHE  71   1.109  -0.172  -3.922
  166    HE2  PHE  71           HE2      PHE  71   2.725  -3.445  -6.188
  167    HZ   PHE  71           HZ       PHE  71   1.345  -2.612  -4.303
  168    H    CYS  72           H        CYS  72   1.942   3.474  -9.724
  169    HA   CYS  72           HA       CYS  72   4.003   3.823 -11.763
  170   1HB   CYS  72          1HB       CYS  72   1.822   5.694 -10.780
  171   2HB   CYS  72          2HB       CYS  72   2.675   5.813 -12.315
  172    H    LEU  73           H        LEU  73   5.055   6.089 -11.923
  173    HA   LEU  73           HA       LEU  73   6.697   6.548  -9.563
  174   1HB   LEU  73          1HB       LEU  73   6.327   7.766 -12.294
  175   2HB   LEU  73          2HB       LEU  73   7.377   8.553 -11.120
  176    HG   LEU  73           HG       LEU  73   7.620   5.669 -11.991
  177   1HD1  LEU  73          1HD1      LEU  73   8.936   8.207 -12.916
  178   2HD1  LEU  73          2HD1      LEU  73   9.820   6.682 -12.983
  179   3HD1  LEU  73          3HD1      LEU  73   8.312   6.867 -13.878
  180   1HD2  LEU  73          1HD2      LEU  73   9.205   7.460 -10.148
  181   2HD2  LEU  73          2HD2      LEU  73   8.549   5.858  -9.815
  182   3HD2  LEU  73          3HD2      LEU  73   9.932   6.038 -10.894
  183    HA   PRO  74           HA       PRO  74   4.391   9.776  -7.633
  184   1HB   PRO  74          1HB       PRO  74   6.270  11.691  -7.066
  185   2HB   PRO  74          2HB       PRO  74   6.138  10.165  -6.169
  186   1HG   PRO  74          1HG       PRO  74   8.013  10.912  -8.363
  187   2HG   PRO  74          2HG       PRO  74   8.324  10.004  -6.874
  188   1HD   PRO  74          1HD       PRO  74   8.015   8.799  -9.274
  189   2HD   PRO  74          2HD       PRO  74   7.521   8.032  -7.748
  190    H    ALA  75           H        ALA  75   6.028  10.336 -10.616
  191    HA   ALA  75           HA       ALA  75   4.574  12.934 -10.986
  192   1HB   ALA  75          1HB       ALA  75   7.200  11.805 -11.885
  193   2HB   ALA  75          2HB       ALA  75   6.398  12.986 -12.920
  194   3HB   ALA  75          3HB       ALA  75   6.831  13.414 -11.265
  195    H    PHE  76           H        PHE  76   3.970   9.816 -11.577
  196    HA   PHE  76           HA       PHE  76   3.080  10.255 -14.409
  197   1HB   PHE  76          1HB       PHE  76   4.083   7.884 -12.843
  198   2HB   PHE  76          2HB       PHE  76   3.089   7.637 -14.279
  199    HD1  PHE  76           HD1      PHE  76   6.005   9.765 -13.216
  200    HD2  PHE  76           HD2      PHE  76   4.209   7.366 -16.292
  201    HE1  PHE  76           HE1      PHE  76   7.988  10.128 -14.656
  202    HE2  PHE  76           HE2      PHE  76   6.194   7.728 -17.732
  203    HZ   PHE  76           HZ       PHE  76   8.084   9.107 -16.913
  204    H    GLU  77           H        GLU  77   1.084   8.788 -14.889
  205    HA   GLU  77           HA       GLU  77  -0.732   8.433 -12.565
  206   1HB   GLU  77          1HB       GLU  77  -0.675  10.811 -13.889
  207   2HB   GLU  77          2HB       GLU  77  -1.858   9.939 -14.864
  208   1HG   GLU  77          1HG       GLU  77  -3.281  10.762 -13.253
  209   2HG   GLU  77          2HG       GLU  77  -2.784   9.280 -12.435
  210    H    GLY  78           H        GLY  78  -2.896   7.489 -13.425
  211   1HA   GLY  78          1HA       GLY  78  -4.039   6.264 -15.225
  212   2HA   GLY  78          2HA       GLY  78  -2.456   5.865 -15.893
  213    H    ARG  79           H        ARG  79  -4.720   4.105 -14.970
  214    HA   ARG  79           HA       ARG  79  -4.070   2.774 -12.525
  215   1HB   ARG  79          1HB       ARG  79  -6.181   2.569 -13.836
  216   2HB   ARG  79          2HB       ARG  79  -5.299   1.683 -15.080
  217   1HG   ARG  79          1HG       ARG  79  -6.137  -0.077 -13.815
  218   2HG   ARG  79          2HG       ARG  79  -4.573   0.166 -13.037
  219   1HD   ARG  79          1HD       ARG  79  -6.788   1.843 -11.983
  220   2HD   ARG  79          2HD       ARG  79  -6.902   0.104 -11.644
  221    HE   ARG  79           HE       ARG  79  -4.240   1.278 -11.208
  222   1HH1  ARG  79          1HH1      ARG  79  -7.361   0.754  -9.752
  223   2HH1  ARG  79          2HH1      ARG  79  -6.701   0.502  -8.173
  224   1HH2  ARG  79          1HH2      ARG  79  -3.403   0.808  -9.170
  225   2HH2  ARG  79          2HH2      ARG  79  -4.484   0.533  -7.844
  226    H    ASN  80           H        ASN  80  -2.968   2.228 -15.869
  227    HA   ASN  80           HA       ASN  80  -1.063   0.143 -14.888
  228   1HB   ASN  80          1HB       ASN  80  -2.320   0.882 -17.529
  229   2HB   ASN  80          2HB       ASN  80  -0.896  -0.158 -17.474
  230   1HD2  ASN  80          2HD2      ASN  80  -1.198  -2.345 -16.855
  231   2HD2  ASN  80          1HD2      ASN  80  -2.695  -2.989 -16.382
  232    H    CYS  81           H        CYS  81  -0.742   3.148 -14.623
  233    HA   CYS  81           HA       CYS  81   0.954   4.764 -14.893
  234   1HB   CYS  81          1HB       CYS  81   2.560   2.284 -15.595
  235   2HB   CYS  81          2HB       CYS  81   3.212   3.812 -15.019
  236    H    GLU  82           H        GLU  82  -0.638   4.825 -17.063
  237    HA   GLU  82           HA       GLU  82   1.228   4.813 -19.415
  238   1HB   GLU  82          1HB       GLU  82  -0.844   4.423 -20.741
  239   2HB   GLU  82          2HB       GLU  82  -0.583   3.156 -19.546
  240   1HG   GLU  82          1HG       GLU  82  -2.249   4.045 -18.089
  241   2HG   GLU  82          2HG       GLU  82  -2.323   5.564 -18.982
  242    H    THR  83           H        THR  83   0.498   6.995 -17.344
  243    HA   THR  83           HA       THR  83  -0.118   9.107 -19.362
  244    HB   THR  83           HB       THR  83  -1.433   8.768 -16.646
  245    HG1  THR  83           HG1      THR  83  -3.129   8.008 -17.728
  246   1HG2  THR  83          1HG2      THR  83  -1.746  10.812 -18.855
  247   2HG2  THR  83          2HG2      THR  83  -2.924  10.604 -17.560
  248   3HG2  THR  83          3HG2      THR  83  -1.275  11.103 -17.180
  249    H    HIS  84           H        HIS  84   1.022  11.016 -18.979
  250    HA   HIS  84           HA       HIS  84   2.969  10.972 -16.714
  251   1HB   HIS  84          1HB       HIS  84   3.643  11.149 -19.161
  252   2HB   HIS  84          2HB       HIS  84   2.878  12.738 -19.176
  253    HD1  HIS  84           HD1      HIS  84   6.070  11.224 -18.625
  254    HD2  HIS  84           HD2      HIS  84   4.030  14.410 -16.875
  255    HE1  HIS  84           HE1      HIS  84   7.812  12.618 -17.427
  256    H    LYS  85           H        LYS  85   3.146  12.795 -15.326
  257    HA   LYS  85           HA       LYS  85   0.851  14.728 -15.445
  258   1HB   LYS  85          1HB       LYS  85   2.284  13.283 -13.222
  259   2HB   LYS  85          2HB       LYS  85   1.396  14.769 -12.887
  260   1HG   LYS  85          1HG       LYS  85  -0.009  12.712 -14.516
  261   2HG   LYS  85          2HG       LYS  85   0.226  12.346 -12.807
  262   1HD   LYS  85          1HD       LYS  85  -1.159  14.042 -12.110
  263   2HD   LYS  85          2HD       LYS  85  -0.737  15.085 -13.468
  264   1HE   LYS  85          1HE       LYS  85  -2.127  13.749 -14.980
  265   2HE   LYS  85          2HE       LYS  85  -2.497  12.613 -13.667
  266   1HZ   LYS  85          1HZ       LYS  85  -3.069  15.531 -13.632
  267   2HZ   LYS  85          2HZ       LYS  85  -4.224  14.310 -13.878
  268   3HZ   LYS  85          3HZ       LYS  85  -3.425  14.433 -12.386
  269    H    ASP  86           H        ASP  86   1.344  16.923 -15.138
  270    HA   ASP  86           HA       ASP  86   4.198  17.664 -14.634
  271   1HB   ASP  86          1HB       ASP  86   2.401  18.467 -16.940
  272   2HB   ASP  86          2HB       ASP  86   3.906  19.302 -16.558
  273    H    ASP  87           H        ASP  87   2.209  17.871 -12.698
  274    HA   ASP  87           HA       ASP  87   1.146  19.409 -11.254
  275   1HB   ASP  87          1HB       ASP  87   3.637  20.245 -11.803
  276   2HB   ASP  87          2HB       ASP  87   2.748  21.605 -12.490
  277    H    GLY  88           H        GLY  88   0.093  21.784 -11.337
  278   1HA   GLY  88          1HA       GLY  88  -1.342  22.030 -13.953
  279   2HA   GLY  88          2HA       GLY  88  -2.165  22.223 -12.404
  280    H    SER  89           H        SER  89  -0.949  23.961 -14.900
  281    HA   SER  89           HA       SER  89  -0.011  26.238 -13.199
  282   1HB   SER  89          1HB       SER  89   0.806  27.046 -15.475
  283   2HB   SER  89          2HB       SER  89   1.548  25.555 -14.899
  284    HG   SER  89           HG       SER  89   0.779  25.506 -17.114
  285    H    ALA  90           H        ALA  90  -2.035  25.621 -16.096
  286    HA   ALA  90           HA       ALA  90  -3.741  27.957 -15.286
  287   1HB   ALA  90          1HB       ALA  90  -2.918  26.911 -18.014
  288   2HB   ALA  90          2HB       ALA  90  -4.080  28.215 -17.764
  289   3HB   ALA  90          3HB       ALA  90  -2.399  28.424 -17.268
  Start of MODEL    8
    1   1H    SER  45          1H        SER  45  -5.656 -19.354  -4.905
    2   2H    SER  45          2H        SER  45  -5.997 -20.622  -5.983
    3   3H    SER  45          3H        SER  45  -4.814 -20.822  -4.779
    4    HA   SER  45           HA       SER  45  -3.382 -19.208  -5.830
    5   1HB   SER  45          1HB       SER  45  -4.577 -21.280  -7.699
    6   2HB   SER  45          2HB       SER  45  -2.980 -20.556  -7.872
    7    HG   SER  45           HG       SER  45  -3.839 -22.557  -6.229
    8    H    ASP  46           H        ASP  46  -3.112 -17.568  -7.404
    9    HA   ASP  46           HA       ASP  46  -5.627 -16.667  -8.770
   10   1HB   ASP  46          1HB       ASP  46  -3.219 -15.178  -7.678
   11   2HB   ASP  46          2HB       ASP  46  -4.533 -14.407  -8.568
   12    H    GLY  47           H        GLY  47  -5.413 -15.881 -10.940
   13   1HA   GLY  47          1HA       GLY  47  -3.529 -17.249 -12.601
   14   2HA   GLY  47          2HA       GLY  47  -4.560 -15.916 -13.127
   15    H    ASP  48           H        ASP  48  -2.466 -15.443 -14.368
   16    HA   ASP  48           HA       ASP  48  -0.505 -13.948 -12.665
   17   1HB   ASP  48          1HB       ASP  48  -0.117 -15.956 -14.464
   18   2HB   ASP  48          2HB       ASP  48   0.057 -14.552 -15.516
   19    H    GLN  49           H        GLN  49  -0.869 -11.770 -12.699
   20    HA   GLN  49           HA       GLN  49  -2.304 -10.531 -14.984
   21   1HB   GLN  49          1HB       GLN  49  -1.371  -9.517 -12.277
   22   2HB   GLN  49          2HB       GLN  49  -2.362  -8.595 -13.409
   23   1HG   GLN  49          1HG       GLN  49  -4.019  -9.517 -12.078
   24   2HG   GLN  49          2HG       GLN  49  -3.888 -10.763 -13.320
   25   1HE2  GLN  49          2HE2      GLN  49  -2.674  -9.918 -10.044
   26   2HE2  GLN  49          1HE2      GLN  49  -2.408 -11.525  -9.562
   27    H    CYS  50           H        CYS  50   0.880 -10.627 -13.482
   28    HA   CYS  50           HA       CYS  50   1.902  -8.413 -15.165
   29   1HB   CYS  50          1HB       CYS  50   3.139 -10.236 -13.075
   30   2HB   CYS  50          2HB       CYS  50   3.973  -8.879 -13.832
   31    H    ALA  51           H        ALA  51   1.021 -10.526 -16.764
   32    HA   ALA  51           HA       ALA  51   3.038 -12.494 -17.375
   33   1HB   ALA  51          1HB       ALA  51   0.703 -11.282 -18.877
   34   2HB   ALA  51          2HB       ALA  51   1.664 -12.610 -19.530
   35   3HB   ALA  51          3HB       ALA  51   0.755 -12.831 -18.035
   36    H    SER  52           H        SER  52   2.025  -9.739 -19.432
   37    HA   SER  52           HA       SER  52   4.780  -9.646 -20.573
   38   1HB   SER  52          1HB       SER  52   2.024  -8.763 -21.400
   39   2HB   SER  52          2HB       SER  52   3.440  -8.077 -22.190
   40    HG   SER  52           HG       SER  52   2.420 -10.669 -22.238
   41    H    SER  53           H        SER  53   3.933  -8.469 -17.886
   42    HA   SER  53           HA       SER  53   4.268  -6.482 -16.656
   43   1HB   SER  53          1HB       SER  53   6.497  -7.003 -17.756
   44   2HB   SER  53          2HB       SER  53   6.073  -5.832 -19.001
   45    HG   SER  53           HG       SER  53   6.639  -4.326 -17.664
   46    HA   PRO  54           HA       PRO  54   1.436  -4.048 -19.397
   47   1HB   PRO  54          1HB       PRO  54  -0.483  -3.599 -17.499
   48   2HB   PRO  54          2HB       PRO  54  -0.455  -5.049 -18.521
   49   1HG   PRO  54          1HG       PRO  54   0.431  -4.703 -15.702
   50   2HG   PRO  54          2HG       PRO  54  -0.402  -6.066 -16.466
   51   1HD   PRO  54          1HD       PRO  54   2.271  -6.046 -15.921
   52   2HD   PRO  54          2HD       PRO  54   1.542  -6.990 -17.240
   53    H    CYS  55           H        CYS  55   2.849  -3.539 -16.235
   54    HA   CYS  55           HA       CYS  55   2.184  -0.799 -15.782
   55   1HB   CYS  55          1HB       CYS  55   4.712  -2.347 -15.106
   56   2HB   CYS  55          2HB       CYS  55   4.175  -0.868 -14.315
   57    H    GLN  56           H        GLN  56   2.743   0.971 -16.985
   58    HA   GLN  56           HA       GLN  56   4.889   0.732 -19.025
   59   1HB   GLN  56          1HB       GLN  56   2.793   2.841 -18.410
   60   2HB   GLN  56          2HB       GLN  56   3.867   2.869 -19.810
   61   1HG   GLN  56          1HG       GLN  56   2.343   0.353 -19.379
   62   2HG   GLN  56          2HG       GLN  56   1.403   1.759 -19.880
   63   1HE2  GLN  56          2HE2      GLN  56   1.485   2.319 -22.080
   64   2HE2  GLN  56          1HE2      GLN  56   2.566   1.641 -23.201
   65    H    ASN  57           H        ASN  57   5.892   3.190 -19.284
   66    HA   ASN  57           HA       ASN  57   7.548   4.640 -18.440
   67   1HB   ASN  57          1HB       ASN  57   5.488   4.463 -16.234
   68   2HB   ASN  57          2HB       ASN  57   6.846   5.586 -16.161
   69   1HD2  ASN  57          2HD2      ASN  57   3.651   5.451 -17.076
   70   2HD2  ASN  57          1HD2      ASN  57   3.649   6.663 -18.265
   71    H    GLY  58           H        GLY  58   7.877   1.682 -17.941
   72   1HA   GLY  58          1HA       GLY  58   9.421   0.310 -16.830
   73   2HA   GLY  58          2HA       GLY  58  10.240   1.791 -16.340
   74    H    GLY  59           H        GLY  59   6.933   0.721 -15.578
   75   1HA   GLY  59          1HA       GLY  59   7.499   1.199 -12.713
   76   2HA   GLY  59          2HA       GLY  59   5.907   0.927 -13.420
   77    H    SER  60           H        SER  60   6.832  -0.445 -11.107
   78    HA   SER  60           HA       SER  60   7.631  -3.160 -11.977
   79   1HB   SER  60          1HB       SER  60   8.095  -1.581  -9.771
   80   2HB   SER  60          2HB       SER  60   6.829  -2.654  -9.179
   81    HG   SER  60           HG       SER  60   8.283  -4.154  -9.081
   82    H    CYS  61           H        CYS  61   6.223  -4.916 -12.012
   83    HA   CYS  61           HA       CYS  61   3.326  -4.321 -11.563
   84   1HB   CYS  61          1HB       CYS  61   4.216  -5.041 -13.816
   85   2HB   CYS  61          2HB       CYS  61   4.658  -6.582 -13.083
   86    H    LYS  62           H        LYS  62   2.370  -5.254  -9.811
   87    HA   LYS  62           HA       LYS  62   3.626  -7.716  -8.635
   88   1HB   LYS  62          1HB       LYS  62   3.613  -5.225  -7.544
   89   2HB   LYS  62          2HB       LYS  62   2.089  -5.849  -6.912
   90   1HG   LYS  62          1HG       LYS  62   4.496  -7.617  -6.770
   91   2HG   LYS  62          2HG       LYS  62   4.380  -6.278  -5.628
   92   1HD   LYS  62          1HD       LYS  62   2.461  -7.127  -4.616
   93   2HD   LYS  62          2HD       LYS  62   2.000  -8.059  -6.041
   94   1HE   LYS  62          1HE       LYS  62   3.551  -9.772  -5.581
   95   2HE   LYS  62          2HE       LYS  62   4.529  -8.728  -4.529
   96   1HZ   LYS  62          1HZ       LYS  62   1.704  -9.434  -3.956
   97   2HZ   LYS  62          2HZ       LYS  62   3.022 -10.301  -3.323
   98   3HZ   LYS  62          3HZ       LYS  62   2.806  -8.664  -2.921
   99    H    ASP  63           H        ASP  63   2.211  -9.414  -8.449
  100    HA   ASP  63           HA       ASP  63  -0.536  -9.182  -9.367
  101   1HB   ASP  63          1HB       ASP  63  -0.563 -11.604  -8.790
  102   2HB   ASP  63          2HB       ASP  63   0.869 -11.170  -9.723
  103    H    GLN  64           H        GLN  64  -2.139  -8.343  -8.101
  104    HA   GLN  64           HA       GLN  64  -1.965  -8.717  -5.130
  105   1HB   GLN  64          1HB       GLN  64  -3.080  -6.593  -6.961
  106   2HB   GLN  64          2HB       GLN  64  -3.612  -6.702  -5.283
  107   1HG   GLN  64          1HG       GLN  64  -0.675  -6.696  -5.928
  108   2HG   GLN  64          2HG       GLN  64  -1.568  -5.176  -5.865
  109   1HE2  GLN  64          2HE2      GLN  64  -2.843  -4.802  -3.764
  110   2HE2  GLN  64          1HE2      GLN  64  -2.183  -5.407  -2.323
  111    H    LEU  65           H        LEU  65  -2.941 -10.929  -6.331
  112    HA   LEU  65           HA       LEU  65  -4.798 -12.376  -6.414
  113   1HB   LEU  65          1HB       LEU  65  -4.949 -10.913  -4.136
  114   2HB   LEU  65          2HB       LEU  65  -6.473 -10.448  -4.891
  115    HG   LEU  65           HG       LEU  65  -5.729 -13.348  -4.845
  116   1HD1  LEU  65          1HD1      LEU  65  -5.550 -12.032  -2.501
  117   2HD1  LEU  65          2HD1      LEU  65  -7.294 -12.290  -2.544
  118   3HD1  LEU  65          3HD1      LEU  65  -6.197 -13.669  -2.619
  119   1HD2  LEU  65          1HD2      LEU  65  -7.780 -12.228  -5.982
  120   2HD2  LEU  65          2HD2      LEU  65  -8.065 -13.659  -4.990
  121   3HD2  LEU  65          3HD2      LEU  65  -8.408 -12.054  -4.343
  122    H    GLN  66           H        GLN  66  -5.695 -12.482  -8.427
  123    HA   GLN  66           HA       GLN  66  -7.174 -12.060 -10.210
  124   1HB   GLN  66          1HB       GLN  66  -8.447 -11.229  -7.828
  125   2HB   GLN  66          2HB       GLN  66  -8.719  -9.922  -8.978
  126   1HG   GLN  66          1HG       GLN  66  -9.340 -11.839 -10.639
  127   2HG   GLN  66          2HG       GLN  66  -9.538 -12.811  -9.179
  128   1HE2  GLN  66          2HE2      GLN  66 -10.387  -9.400 -10.039
  129   2HE2  GLN  66          1HE2      GLN  66 -11.995  -9.519  -9.511
  130    H    SER  67           H        SER  67  -7.091  -8.806  -8.721
  131    HA   SER  67           HA       SER  67  -6.388  -7.601 -11.309
  132   1HB   SER  67          1HB       SER  67  -6.490  -5.517  -9.809
  133   2HB   SER  67          2HB       SER  67  -7.971  -6.462  -9.928
  134    HG   SER  67           HG       SER  67  -7.558  -6.051  -7.770
  135    H    TYR  68           H        TYR  68  -4.649  -5.626 -10.809
  136    HA   TYR  68           HA       TYR  68  -2.273  -6.801  -9.430
  137   1HB   TYR  68          1HB       TYR  68  -0.924  -6.230 -11.452
  138   2HB   TYR  68          2HB       TYR  68  -2.163  -7.435 -11.795
  139    HD1  TYR  68           HD1      TYR  68  -4.145  -6.873 -13.119
  140    HD2  TYR  68           HD2      TYR  68  -1.114  -3.942 -12.299
  141    HE1  TYR  68           HE1      TYR  68  -5.096  -5.399 -14.872
  142    HE2  TYR  68           HE2      TYR  68  -2.065  -2.469 -14.051
  143    HH   TYR  68           HH       TYR  68  -5.127  -3.037 -15.467
  144    H    ILE  69           H        ILE  69  -0.448  -5.060  -9.447
  145    HA   ILE  69           HA       ILE  69  -1.559  -2.292  -9.281
  146    HB   ILE  69           HB       ILE  69  -1.678  -3.363  -7.058
  147   1HG1  ILE  69          1HG1      ILE  69   0.694  -1.506  -6.967
  148   2HG1  ILE  69          2HG1      ILE  69  -0.894  -0.911  -7.456
  149   1HG2  ILE  69          1HG2      ILE  69   0.249  -4.964  -7.583
  150   2HG2  ILE  69          2HG2      ILE  69   1.332  -3.634  -7.176
  151   3HG2  ILE  69          3HG2      ILE  69   0.230  -4.278  -5.960
  152   1HD1  ILE  69          1HD1      ILE  69  -1.605  -2.283  -5.243
  153   2HD1  ILE  69          2HD1      ILE  69   0.041  -1.839  -4.791
  154   3HD1  ILE  69          3HD1      ILE  69  -1.130  -0.585  -5.199
  155    H    CYS  70           H        CYS  70  -0.239  -1.010 -10.499
  156    HA   CYS  70           HA       CYS  70   2.505  -1.919 -11.153
  157   1HB   CYS  70          1HB       CYS  70   0.573   0.174 -12.147
  158   2HB   CYS  70          2HB       CYS  70   2.261   0.192 -12.657
  159    H    PHE  71           H        PHE  71   4.322  -0.952 -10.328
  160    HA   PHE  71           HA       PHE  71   3.969   1.284  -8.384
  161   1HB   PHE  71          1HB       PHE  71   6.056  -0.830  -8.942
  162   2HB   PHE  71          2HB       PHE  71   6.411   0.545  -7.894
  163    HD1  PHE  71           HD1      PHE  71   4.382   1.064  -6.157
  164    HD2  PHE  71           HD2      PHE  71   5.307  -2.759  -7.884
  165    HE1  PHE  71           HE1      PHE  71   3.220  -0.066  -4.279
  166    HE2  PHE  71           HE2      PHE  71   4.145  -3.888  -6.007
  167    HZ   PHE  71           HZ       PHE  71   3.100  -2.541  -4.204
  168    H    CYS  72           H        CYS  72   3.731   2.892 -10.141
  169    HA   CYS  72           HA       CYS  72   6.157   3.362 -11.808
  170   1HB   CYS  72          1HB       CYS  72   3.312   4.406 -11.815
  171   2HB   CYS  72          2HB       CYS  72   4.548   4.954 -12.947
  172    H    LEU  73           H        LEU  73   6.143   5.997 -12.217
  173    HA   LEU  73           HA       LEU  73   7.373   7.162  -9.920
  174   1HB   LEU  73          1HB       LEU  73   6.398   7.982 -12.605
  175   2HB   LEU  73          2HB       LEU  73   6.667   9.288 -11.452
  176    HG   LEU  73           HG       LEU  73   8.961   8.376 -11.040
  177   1HD1  LEU  73          1HD1      LEU  73   8.466   6.041 -11.728
  178   2HD1  LEU  73          2HD1      LEU  73   8.277   6.587 -13.395
  179   3HD1  LEU  73          3HD1      LEU  73   9.849   6.698 -12.603
  180   1HD2  LEU  73          1HD2      LEU  73   8.280   9.031 -13.923
  181   2HD2  LEU  73          2HD2      LEU  73   8.625  10.201 -12.651
  182   3HD2  LEU  73          3HD2      LEU  73   9.895   9.117 -13.219
  183    HA   PRO  74           HA       PRO  74   3.927   8.508  -7.525
  184   1HB   PRO  74          1HB       PRO  74   4.877  10.844  -6.449
  185   2HB   PRO  74          2HB       PRO  74   5.398   9.236  -5.904
  186   1HG   PRO  74          1HG       PRO  74   6.749  11.126  -7.776
  187   2HG   PRO  74          2HG       PRO  74   7.443  10.132  -6.482
  188   1HD   PRO  74          1HD       PRO  74   7.603   9.428  -9.082
  189   2HD   PRO  74          2HD       PRO  74   7.472   8.226  -7.778
  190    H    ALA  75           H        ALA  75   5.177  10.481 -10.098
  191    HA   ALA  75           HA       ALA  75   2.837  12.327  -9.968
  192   1HB   ALA  75          1HB       ALA  75   5.560  12.291 -11.222
  193   2HB   ALA  75          2HB       ALA  75   4.312  13.306 -11.946
  194   3HB   ALA  75          3HB       ALA  75   4.789  13.557 -10.268
  195    H    PHE  76           H        PHE  76   3.039   9.340 -11.048
  196    HA   PHE  76           HA       PHE  76   1.913   9.908 -13.771
  197   1HB   PHE  76          1HB       PHE  76   3.482   7.653 -12.531
  198   2HB   PHE  76          2HB       PHE  76   2.525   7.373 -13.985
  199    HD1  PHE  76           HD1      PHE  76   4.885   9.994 -12.667
  200    HD2  PHE  76           HD2      PHE  76   3.639   7.599 -16.007
  201    HE1  PHE  76           HE1      PHE  76   6.683  10.989 -14.048
  202    HE2  PHE  76           HE2      PHE  76   5.442   8.595 -17.389
  203    HZ   PHE  76           HZ       PHE  76   6.966  10.286 -16.406
  204    H    GLU  77           H        GLU  77  -0.002   8.716 -14.379
  205    HA   GLU  77           HA       GLU  77  -1.444   7.285 -12.190
  206   1HB   GLU  77          1HB       GLU  77  -1.861   9.920 -12.699
  207   2HB   GLU  77          2HB       GLU  77  -3.002   9.204 -13.839
  208   1HG   GLU  77          1HG       GLU  77  -3.591   7.695 -11.709
  209   2HG   GLU  77          2HG       GLU  77  -2.999   9.121 -10.857
  210    H    GLY  78           H        GLY  78  -3.543   6.307 -13.158
  211   1HA   GLY  78          1HA       GLY  78  -4.676   5.577 -15.253
  212   2HA   GLY  78          2HA       GLY  78  -3.078   5.475 -15.995
  213    H    ARG  79           H        ARG  79  -5.022   3.315 -15.783
  214    HA   ARG  79           HA       ARG  79  -4.475   1.471 -13.676
  215   1HB   ARG  79          1HB       ARG  79  -6.300   1.449 -15.459
  216   2HB   ARG  79          2HB       ARG  79  -5.088   0.815 -16.573
  217   1HG   ARG  79          1HG       ARG  79  -6.120  -1.128 -15.723
  218   2HG   ARG  79          2HG       ARG  79  -4.655  -0.979 -14.749
  219   1HD   ARG  79          1HD       ARG  79  -6.202  -1.257 -13.041
  220   2HD   ARG  79          2HD       ARG  79  -6.321   0.504 -13.226
  221    HE   ARG  79           HE       ARG  79  -8.390   0.222 -14.378
  222   1HH1  ARG  79          1HH1      ARG  79  -6.730  -2.832 -14.155
  223   2HH1  ARG  79          2HH1      ARG  79  -8.166  -3.756 -14.425
  224   1HH2  ARG  79          1HH2      ARG  79 -10.264  -1.010 -14.590
  225   2HH2  ARG  79          2HH2      ARG  79 -10.148  -2.736 -14.672
  226    H    ASN  80           H        ASN  80  -2.939   1.854 -16.878
  227    HA   ASN  80           HA       ASN  80  -0.742   0.016 -15.989
  228   1HB   ASN  80          1HB       ASN  80  -1.847   0.835 -18.693
  229   2HB   ASN  80          2HB       ASN  80  -0.375  -0.119 -18.505
  230   1HD2  ASN  80          2HD2      ASN  80  -1.231  -2.103 -19.365
  231   2HD2  ASN  80          1HD2      ASN  80  -2.467  -2.974 -18.594
  232    H    CYS  81           H        CYS  81  -0.995   2.900 -15.311
  233    HA   CYS  81           HA       CYS  81   0.346   4.839 -15.258
  234   1HB   CYS  81          1HB       CYS  81   2.352   2.796 -16.273
  235   2HB   CYS  81          2HB       CYS  81   2.767   4.372 -15.602
  236    H    GLU  82           H        GLU  82  -1.267   4.704 -17.522
  237    HA   GLU  82           HA       GLU  82   0.527   5.567 -19.763
  238   1HB   GLU  82          1HB       GLU  82  -1.464   5.027 -21.168
  239   2HB   GLU  82          2HB       GLU  82  -0.921   3.642 -20.222
  240   1HG   GLU  82          1HG       GLU  82  -2.793   3.634 -18.903
  241   2HG   GLU  82          2HG       GLU  82  -2.938   5.391 -18.917
  242    H    THR  83           H        THR  83  -0.587   7.164 -17.351
  243    HA   THR  83           HA       THR  83  -1.643   9.436 -18.979
  244    HB   THR  83           HB       THR  83  -2.796   8.381 -16.375
  245    HG1  THR  83           HG1      THR  83  -4.197   7.358 -17.572
  246   1HG2  THR  83          1HG2      THR  83  -3.722  10.592 -18.232
  247   2HG2  THR  83          2HG2      THR  83  -4.576  10.036 -16.793
  248   3HG2  THR  83          3HG2      THR  83  -3.006  10.823 -16.637
  249    H    HIS  84           H        HIS  84   0.172  10.748 -18.683
  250    HA   HIS  84           HA       HIS  84   1.620  10.945 -16.168
  251   1HB   HIS  84          1HB       HIS  84   2.189  11.457 -18.739
  252   2HB   HIS  84          2HB       HIS  84   1.703  13.083 -18.257
  253    HD1  HIS  84           HD1      HIS  84   4.700  12.138 -18.910
  254    HD2  HIS  84           HD2      HIS  84   3.063  12.675 -15.113
  255    HE1  HIS  84           HE1      HIS  84   6.647  12.537 -17.341
  256    H    LYS  85           H        LYS  85   1.205  12.315 -14.468
  257    HA   LYS  85           HA       LYS  85  -1.230  13.959 -14.504
  258   1HB   LYS  85          1HB       LYS  85   0.930  13.443 -12.434
  259   2HB   LYS  85          2HB       LYS  85  -0.592  14.273 -12.112
  260   1HG   LYS  85          1HG       LYS  85  -0.783  11.618 -13.441
  261   2HG   LYS  85          2HG       LYS  85  -0.288  11.619 -11.747
  262   1HD   LYS  85          1HD       LYS  85  -2.585  13.372 -12.445
  263   2HD   LYS  85          2HD       LYS  85  -2.880  11.635 -12.510
  264   1HE   LYS  85          1HE       LYS  85  -3.276  11.885 -10.260
  265   2HE   LYS  85          2HE       LYS  85  -1.506  11.847 -10.143
  266   1HZ   LYS  85          1HZ       LYS  85  -3.039  14.326 -10.695
  267   2HZ   LYS  85          2HZ       LYS  85  -2.593  13.854  -9.128
  268   3HZ   LYS  85          3HZ       LYS  85  -1.396  14.191 -10.284
  269    H    ASP  86           H        ASP  86  -1.278  16.229 -14.405
  270    HA   ASP  86           HA       ASP  86   1.338  17.627 -14.871
  271   1HB   ASP  86          1HB       ASP  86  -0.446  17.433 -16.718
  272   2HB   ASP  86          2HB       ASP  86  -1.416  18.533 -15.738
  273    H    ASP  87           H        ASP  87  -1.832  17.787 -13.277
  274    HA   ASP  87           HA       ASP  87  -1.203  20.311 -11.900
  275   1HB   ASP  87          1HB       ASP  87  -3.472  19.564 -12.735
  276   2HB   ASP  87          2HB       ASP  87  -3.461  18.330 -11.474
  277    H    GLY  88           H        GLY  88  -1.523  16.859 -11.048
  278   1HA   GLY  88          1HA       GLY  88  -0.350  15.705  -9.330
  279   2HA   GLY  88          2HA       GLY  88   0.284  17.249  -8.759
  280    H    SER  89           H        SER  89  -1.233  18.660  -7.564
  281    HA   SER  89           HA       SER  89  -2.704  18.966  -5.746
  282   1HB   SER  89          1HB       SER  89  -4.923  18.518  -6.372
  283   2HB   SER  89          2HB       SER  89  -4.093  18.554  -7.923
  284    HG   SER  89           HG       SER  89  -5.287  16.703  -7.898
  285    H    ALA  90           H        ALA  90  -0.772  17.107  -5.067
  286    HA   ALA  90           HA       ALA  90  -0.313  15.320  -3.591
  287   1HB   ALA  90          1HB       ALA  90  -1.952  16.961  -2.387
  288   2HB   ALA  90          2HB       ALA  90  -3.148  15.688  -2.632
  289   3HB   ALA  90          3HB       ALA  90  -1.696  15.363  -1.683
  Start of MODEL    9
    1   1H    SER  45          1H        SER  45  -2.403 -14.173  -5.558
    2   2H    SER  45          2H        SER  45  -0.999 -13.231  -5.728
    3   3H    SER  45          3H        SER  45  -2.129 -13.303  -6.991
    4    HA   SER  45           HA       SER  45  -0.231 -14.695  -7.528
    5   1HB   SER  45          1HB       SER  45  -0.984 -16.116  -4.959
    6   2HB   SER  45          2HB       SER  45   0.421 -16.435  -5.971
    7    HG   SER  45           HG       SER  45   0.465 -14.921  -3.966
    8    H    ASP  46           H        ASP  46  -2.894 -14.518  -8.385
    9    HA   ASP  46           HA       ASP  46  -3.515 -17.387  -8.918
   10   1HB   ASP  46          1HB       ASP  46  -5.402 -15.264  -7.847
   11   2HB   ASP  46          2HB       ASP  46  -5.925 -16.844  -8.433
   12    H    GLY  47           H        GLY  47  -2.889 -17.093 -11.113
   13   1HA   GLY  47          1HA       GLY  47  -4.019 -16.804 -13.302
   14   2HA   GLY  47          2HA       GLY  47  -4.673 -15.284 -12.691
   15    H    ASP  48           H        ASP  48  -3.085 -15.608 -15.100
   16    HA   ASP  48           HA       ASP  48  -0.413 -14.513 -14.460
   17   1HB   ASP  48          1HB       ASP  48  -1.844 -15.788 -16.694
   18   2HB   ASP  48          2HB       ASP  48  -0.782 -14.476 -17.206
   19    H    GLN  49           H        GLN  49  -0.899 -12.406 -13.634
   20    HA   GLN  49           HA       GLN  49  -2.457 -10.553 -15.369
   21   1HB   GLN  49          1HB       GLN  49  -1.295 -10.331 -12.571
   22   2HB   GLN  49          2HB       GLN  49  -2.311  -9.111 -13.339
   23   1HG   GLN  49          1HG       GLN  49  -4.221 -10.337 -13.073
   24   2HG   GLN  49          2HG       GLN  49  -3.397 -11.872 -13.352
   25   1HE2  GLN  49          2HE2      GLN  49  -1.457 -11.940 -11.382
   26   2HE2  GLN  49          1HE2      GLN  49  -2.166 -11.862  -9.842
   27    H    CYS  50           H        CYS  50   0.689 -10.635 -13.647
   28    HA   CYS  50           HA       CYS  50   1.709  -8.417 -15.325
   29   1HB   CYS  50          1HB       CYS  50   2.822 -10.022 -13.002
   30   2HB   CYS  50          2HB       CYS  50   3.654  -8.659 -13.749
   31    H    ALA  51           H        ALA  51   1.203 -10.624 -16.920
   32    HA   ALA  51           HA       ALA  51   3.533 -12.365 -17.184
   33   1HB   ALA  51          1HB       ALA  51   1.119 -11.754 -18.916
   34   2HB   ALA  51          2HB       ALA  51   2.283 -13.029 -19.276
   35   3HB   ALA  51          3HB       ALA  51   1.310 -13.113 -17.807
   36    H    SER  52           H        SER  52   2.135  -9.905 -19.398
   37    HA   SER  52           HA       SER  52   4.776  -9.629 -20.732
   38   1HB   SER  52          1HB       SER  52   2.127  -8.319 -21.386
   39   2HB   SER  52          2HB       SER  52   3.489  -8.586 -22.470
   40    HG   SER  52           HG       SER  52   1.481 -10.281 -21.695
   41    H    SER  53           H        SER  53   4.055  -8.469 -17.965
   42    HA   SER  53           HA       SER  53   4.395  -6.457 -16.774
   43   1HB   SER  53          1HB       SER  53   6.621  -6.681 -17.548
   44   2HB   SER  53          2HB       SER  53   6.174  -6.301 -19.208
   45    HG   SER  53           HG       SER  53   7.149  -4.514 -18.220
   46    HA   PRO  54           HA       PRO  54   1.408  -4.130 -19.473
   47   1HB   PRO  54          1HB       PRO  54  -0.536  -3.828 -17.570
   48   2HB   PRO  54          2HB       PRO  54  -0.436  -5.245 -18.635
   49   1HG   PRO  54          1HG       PRO  54   0.429  -4.941 -15.804
   50   2HG   PRO  54          2HG       PRO  54  -0.342  -6.318 -16.608
   51   1HD   PRO  54          1HD       PRO  54   2.325  -6.200 -16.059
   52   2HD   PRO  54          2HD       PRO  54   1.642  -7.127 -17.412
   53    H    CYS  55           H        CYS  55   2.907  -3.628 -16.371
   54    HA   CYS  55           HA       CYS  55   2.055  -0.915 -15.874
   55   1HB   CYS  55          1HB       CYS  55   4.575  -2.414 -15.077
   56   2HB   CYS  55          2HB       CYS  55   3.973  -0.947 -14.308
   57    H    GLN  56           H        GLN  56   2.669   0.907 -16.971
   58    HA   GLN  56           HA       GLN  56   4.961   0.737 -18.874
   59   1HB   GLN  56          1HB       GLN  56   2.394   1.598 -19.138
   60   2HB   GLN  56          2HB       GLN  56   3.194   3.118 -18.737
   61   1HG   GLN  56          1HG       GLN  56   3.570   3.162 -20.998
   62   2HG   GLN  56          2HG       GLN  56   4.953   2.165 -20.547
   63   1HE2  GLN  56          2HE2      GLN  56   1.446   1.723 -21.316
   64   2HE2  GLN  56          1HE2      GLN  56   1.674   0.287 -22.191
   65    H    ASN  57           H        ASN  57   5.845   3.229 -19.112
   66    HA   ASN  57           HA       ASN  57   7.325   4.801 -18.163
   67   1HB   ASN  57          1HB       ASN  57   5.006   4.583 -16.252
   68   2HB   ASN  57          2HB       ASN  57   6.329   5.706 -15.934
   69   1HD2  ASN  57          2HD2      ASN  57   3.316   5.696 -17.243
   70   2HD2  ASN  57          1HD2      ASN  57   3.502   6.892 -18.434
   71    H    GLY  58           H        GLY  58   7.986   2.001 -17.653
   72   1HA   GLY  58          1HA       GLY  58   9.499   0.772 -16.348
   73   2HA   GLY  58          2HA       GLY  58  10.027   2.319 -15.688
   74    H    GLY  59           H        GLY  59   6.771   0.926 -15.476
   75   1HA   GLY  59          1HA       GLY  59   6.887   1.237 -12.538
   76   2HA   GLY  59          2HA       GLY  59   5.441   0.888 -13.483
   77    H    SER  60           H        SER  60   6.603  -0.506 -11.089
   78    HA   SER  60           HA       SER  60   7.408  -3.152 -12.146
   79   1HB   SER  60          1HB       SER  60   6.834  -2.374  -9.284
   80   2HB   SER  60          2HB       SER  60   7.948  -3.603  -9.874
   81    HG   SER  60           HG       SER  60   9.408  -2.112 -10.184
   82    H    CYS  61           H        CYS  61   5.984  -4.849 -12.358
   83    HA   CYS  61           HA       CYS  61   3.139  -4.388 -11.621
   84   1HB   CYS  61          1HB       CYS  61   4.074  -5.103 -13.927
   85   2HB   CYS  61          2HB       CYS  61   4.310  -6.687 -13.188
   86    H    LYS  62           H        LYS  62   2.276  -5.391  -9.867
   87    HA   LYS  62           HA       LYS  62   3.654  -7.827  -8.780
   88   1HB   LYS  62          1HB       LYS  62   2.896  -5.230  -7.613
   89   2HB   LYS  62          2HB       LYS  62   2.375  -6.612  -6.651
   90   1HG   LYS  62          1HG       LYS  62   4.891  -7.404  -7.242
   91   2HG   LYS  62          2HG       LYS  62   5.123  -5.656  -7.258
   92   1HD   LYS  62          1HD       LYS  62   4.153  -5.483  -5.010
   93   2HD   LYS  62          2HD       LYS  62   3.853  -7.222  -4.992
   94   1HE   LYS  62          1HE       LYS  62   5.901  -7.019  -3.820
   95   2HE   LYS  62          2HE       LYS  62   6.431  -7.411  -5.468
   96   1HZ   LYS  62          1HZ       LYS  62   6.048  -4.650  -4.439
   97   2HZ   LYS  62          2HZ       LYS  62   7.555  -5.428  -4.541
   98   3HZ   LYS  62          3HZ       LYS  62   6.679  -5.091  -5.954
   99    H    ASP  63           H        ASP  63   2.306  -9.577  -8.668
  100    HA   ASP  63           HA       ASP  63  -0.460  -9.436  -9.495
  101   1HB   ASP  63          1HB       ASP  63  -0.397 -11.859  -8.912
  102   2HB   ASP  63          2HB       ASP  63   1.002 -11.377  -9.870
  103    H    GLN  64           H        GLN  64  -2.042  -8.593  -8.208
  104    HA   GLN  64           HA       GLN  64  -1.810  -8.854  -5.242
  105   1HB   GLN  64          1HB       GLN  64  -3.247  -7.045  -7.179
  106   2HB   GLN  64          2HB       GLN  64  -3.762  -7.129  -5.495
  107   1HG   GLN  64          1HG       GLN  64  -0.915  -6.563  -6.366
  108   2HG   GLN  64          2HG       GLN  64  -2.085  -5.311  -5.941
  109   1HE2  GLN  64          2HE2      GLN  64  -3.126  -5.646  -3.661
  110   2HE2  GLN  64          1HE2      GLN  64  -2.099  -6.213  -2.435
  111    H    LEU  65           H        LEU  65  -4.420  -8.709  -4.471
  112    HA   LEU  65           HA       LEU  65  -5.407 -11.370  -4.726
  113   1HB   LEU  65          1HB       LEU  65  -5.847  -9.367  -3.048
  114   2HB   LEU  65          2HB       LEU  65  -7.194  -9.027  -4.130
  115    HG   LEU  65           HG       LEU  65  -7.921 -10.474  -2.280
  116   1HD1  LEU  65          1HD1      LEU  65  -8.867 -10.754  -4.608
  117   2HD1  LEU  65          2HD1      LEU  65  -7.755 -12.105  -4.828
  118   3HD1  LEU  65          3HD1      LEU  65  -9.005 -12.184  -3.586
  119   1HD2  LEU  65          1HD2      LEU  65  -5.539 -11.516  -2.113
  120   2HD2  LEU  65          2HD2      LEU  65  -6.928 -12.549  -1.776
  121   3HD2  LEU  65          3HD2      LEU  65  -6.116 -12.644  -3.339
  122    H    GLN  66           H        GLN  66  -5.928 -12.147  -6.760
  123    HA   GLN  66           HA       GLN  66  -7.034 -12.343  -8.839
  124   1HB   GLN  66          1HB       GLN  66  -8.839 -12.205  -6.988
  125   2HB   GLN  66          2HB       GLN  66  -9.110 -10.560  -7.564
  126   1HG   GLN  66          1HG       GLN  66  -9.173 -11.787  -9.931
  127   2HG   GLN  66          2HG       GLN  66  -9.651 -13.161  -8.933
  128   1HE2  GLN  66          2HE2      GLN  66 -10.892 -10.481 -10.572
  129   2HE2  GLN  66          1HE2      GLN  66 -12.375 -10.347  -9.756
  130    H    SER  67           H        SER  67  -5.206 -10.003  -8.480
  131    HA   SER  67           HA       SER  67  -5.926  -8.545 -10.896
  132   1HB   SER  67          1HB       SER  67  -6.226  -6.362  -9.731
  133   2HB   SER  67          2HB       SER  67  -7.462  -7.529  -9.270
  134    HG   SER  67           HG       SER  67  -6.544  -7.757  -7.332
  135    H    TYR  68           H        TYR  68  -4.392  -6.286 -10.607
  136    HA   TYR  68           HA       TYR  68  -1.723  -7.224  -9.630
  137   1HB   TYR  68          1HB       TYR  68  -0.771  -6.333 -11.760
  138   2HB   TYR  68          2HB       TYR  68  -1.898  -7.659 -12.037
  139    HD1  TYR  68           HD1      TYR  68  -4.183  -7.213 -12.898
  140    HD2  TYR  68           HD2      TYR  68  -1.279  -4.077 -12.463
  141    HE1  TYR  68           HE1      TYR  68  -5.554  -5.742 -14.349
  142    HE2  TYR  68           HE2      TYR  68  -2.650  -2.607 -13.913
  143    HH   TYR  68           HH       TYR  68  -5.870  -3.339 -14.755
  144    H    ILE  69           H        ILE  69  -0.138  -5.261  -9.758
  145    HA   ILE  69           HA       ILE  69  -1.470  -2.644  -9.313
  146    HB   ILE  69           HB       ILE  69  -1.482  -3.839  -7.152
  147   1HG1  ILE  69          1HG1      ILE  69   0.744  -1.904  -6.753
  148   2HG1  ILE  69          2HG1      ILE  69  -0.699  -1.287  -7.558
  149   1HG2  ILE  69          1HG2      ILE  69   0.830  -5.007  -7.993
  150   2HG2  ILE  69          2HG2      ILE  69   1.469  -3.788  -6.891
  151   3HG2  ILE  69          3HG2      ILE  69   0.305  -4.980  -6.310
  152   1HD1  ILE  69          1HD1      ILE  69  -1.862  -2.673  -5.545
  153   2HD1  ILE  69          2HD1      ILE  69  -0.347  -2.222  -4.761
  154   3HD1  ILE  69          3HD1      ILE  69  -1.413  -0.973  -5.405
  155    H    CYS  70           H        CYS  70  -0.286  -1.289 -10.598
  156    HA   CYS  70           HA       CYS  70   2.524  -1.924 -11.251
  157   1HB   CYS  70          1HB       CYS  70   0.483   0.121 -12.152
  158   2HB   CYS  70          2HB       CYS  70   2.146   0.130 -12.739
  159    H    PHE  71           H        PHE  71   4.260  -0.854 -10.388
  160    HA   PHE  71           HA       PHE  71   3.729   1.364  -8.451
  161   1HB   PHE  71          1HB       PHE  71   5.989  -0.620  -8.856
  162   2HB   PHE  71          2HB       PHE  71   6.061   0.695  -7.682
  163    HD1  PHE  71           HD1      PHE  71   3.776   0.896  -6.221
  164    HD2  PHE  71           HD2      PHE  71   5.296  -2.685  -8.042
  165    HE1  PHE  71           HE1      PHE  71   2.488  -0.474  -4.603
  166    HE2  PHE  71           HE2      PHE  71   4.009  -4.054  -6.423
  167    HZ   PHE  71           HZ       PHE  71   2.604  -2.948  -4.705
  168    H    CYS  72           H        CYS  72   3.710   3.145  -9.901
  169    HA   CYS  72           HA       CYS  72   6.131   3.531 -11.617
  170   1HB   CYS  72          1HB       CYS  72   3.351   4.747 -11.626
  171   2HB   CYS  72          2HB       CYS  72   4.622   5.162 -12.776
  172    H    LEU  73           H        LEU  73   6.067   6.245 -11.938
  173    HA   LEU  73           HA       LEU  73   7.204   7.229  -9.435
  174   1HB   LEU  73          1HB       LEU  73   7.003   7.962 -12.273
  175   2HB   LEU  73          2HB       LEU  73   6.934   9.361 -11.201
  176    HG   LEU  73           HG       LEU  73   9.002   8.526 -10.068
  177   1HD1  LEU  73          1HD1      LEU  73   8.934   6.504 -12.329
  178   2HD1  LEU  73          2HD1      LEU  73  10.305   6.760 -11.250
  179   3HD1  LEU  73          3HD1      LEU  73   8.781   6.148 -10.609
  180   1HD2  LEU  73          1HD2      LEU  73   8.855  10.067 -12.209
  181   2HD2  LEU  73          2HD2      LEU  73  10.421   9.478 -11.652
  182   3HD2  LEU  73          3HD2      LEU  73   9.610   8.685 -13.003
  183    HA   PRO  74           HA       PRO  74   3.642   9.148  -7.714
  184   1HB   PRO  74          1HB       PRO  74   4.624  11.533  -6.776
  185   2HB   PRO  74          2HB       PRO  74   4.935   9.971  -5.991
  186   1HG   PRO  74          1HG       PRO  74   6.669  11.525  -7.860
  187   2HG   PRO  74          2HG       PRO  74   7.103  10.667  -6.371
  188   1HD   PRO  74          1HD       PRO  74   7.563   9.614  -8.804
  189   2HD   PRO  74          2HD       PRO  74   7.126   8.602  -7.406
  190    H    ALA  75           H        ALA  75   5.307  10.636 -10.347
  191    HA   ALA  75           HA       ALA  75   3.203  12.714 -10.702
  192   1HB   ALA  75          1HB       ALA  75   5.590  13.317 -10.871
  193   2HB   ALA  75          2HB       ALA  75   5.805  12.122 -12.150
  194   3HB   ALA  75          3HB       ALA  75   4.786  13.535 -12.426
  195    H    PHE  76           H        PHE  76   2.982   9.627 -11.225
  196    HA   PHE  76           HA       PHE  76   2.036   9.873 -14.068
  197   1HB   PHE  76          1HB       PHE  76   3.353   7.599 -12.558
  198   2HB   PHE  76          2HB       PHE  76   2.626   7.408 -14.154
  199    HD1  PHE  76           HD1      PHE  76   5.094   9.544 -12.309
  200    HD2  PHE  76           HD2      PHE  76   3.906   7.835 -16.065
  201    HE1  PHE  76           HE1      PHE  76   7.167  10.407 -13.356
  202    HE2  PHE  76           HE2      PHE  76   5.982   8.699 -17.113
  203    HZ   PHE  76           HZ       PHE  76   7.614   9.981 -15.755
  204    H    GLU  77           H        GLU  77   0.136   8.572 -14.575
  205    HA   GLU  77           HA       GLU  77  -1.380   7.406 -12.303
  206   1HB   GLU  77          1HB       GLU  77  -1.685  10.040 -12.938
  207   2HB   GLU  77          2HB       GLU  77  -2.889   9.313 -14.003
  208   1HG   GLU  77          1HG       GLU  77  -3.485   7.950 -11.785
  209   2HG   GLU  77          2HG       GLU  77  -2.790   9.380 -11.019
  210    H    GLY  78           H        GLY  78  -3.516   6.461 -13.207
  211   1HA   GLY  78          1HA       GLY  78  -4.717   5.684 -15.237
  212   2HA   GLY  78          2HA       GLY  78  -3.148   5.545 -16.031
  213    H    ARG  79           H        ARG  79  -5.101   3.415 -15.724
  214    HA   ARG  79           HA       ARG  79  -4.515   1.603 -13.598
  215   1HB   ARG  79          1HB       ARG  79  -6.424   1.490 -15.202
  216   2HB   ARG  79          2HB       ARG  79  -5.296   1.033 -16.478
  217   1HG   ARG  79          1HG       ARG  79  -6.021  -1.060 -15.764
  218   2HG   ARG  79          2HG       ARG  79  -4.588  -0.842 -14.760
  219   1HD   ARG  79          1HD       ARG  79  -6.224  -1.488 -13.184
  220   2HD   ARG  79          2HD       ARG  79  -6.280   0.283 -13.077
  221    HE   ARG  79           HE       ARG  79  -8.064  -0.132 -15.059
  222   1HH1  ARG  79          1HH1      ARG  79  -7.746  -1.468 -11.858
  223   2HH1  ARG  79          2HH1      ARG  79  -9.376  -2.044 -11.819
  224   1HH2  ARG  79          1HH2      ARG  79 -10.136  -1.013 -15.032
  225   2HH2  ARG  79          2HH2      ARG  79 -10.718  -1.788 -13.597
  226    H    ASN  80           H        ASN  80  -3.134   1.805 -16.893
  227    HA   ASN  80           HA       ASN  80  -0.949  -0.058 -16.066
  228   1HB   ASN  80          1HB       ASN  80  -2.192   0.849 -18.660
  229   2HB   ASN  80          2HB       ASN  80  -0.604   0.084 -18.656
  230   1HD2  ASN  80          2HD2      ASN  80  -1.586  -1.793 -19.807
  231   2HD2  ASN  80          1HD2      ASN  80  -2.507  -2.927 -18.943
  232    H    CYS  81           H        CYS  81  -1.166   2.880 -15.355
  233    HA   CYS  81           HA       CYS  81   0.231   4.774 -15.260
  234   1HB   CYS  81          1HB       CYS  81   2.047   2.455 -15.889
  235   2HB   CYS  81          2HB       CYS  81   2.707   4.083 -15.741
  236    H    GLU  82           H        GLU  82  -1.228   4.917 -17.511
  237    HA   GLU  82           HA       GLU  82   0.717   5.522 -19.713
  238   1HB   GLU  82          1HB       GLU  82  -1.255   5.150 -21.190
  239   2HB   GLU  82          2HB       GLU  82  -0.903   3.736 -20.198
  240   1HG   GLU  82          1HG       GLU  82  -2.703   4.208 -18.706
  241   2HG   GLU  82          2HG       GLU  82  -2.907   5.837 -19.352
  242    H    THR  83           H        THR  83  -0.354   7.239 -17.347
  243    HA   THR  83           HA       THR  83  -1.097   9.590 -19.033
  244    HB   THR  83           HB       THR  83  -2.488   8.669 -16.496
  245    HG1  THR  83           HG1      THR  83  -4.192   8.216 -17.909
  246   1HG2  THR  83          1HG2      THR  83  -3.009  10.978 -18.387
  247   2HG2  THR  83          2HG2      THR  83  -4.106  10.476 -17.100
  248   3HG2  THR  83          3HG2      THR  83  -2.501  11.092 -16.702
  249    H    HIS  84           H        HIS  84   0.592  10.970 -18.612
  250    HA   HIS  84           HA       HIS  84   2.063  10.941 -16.084
  251   1HB   HIS  84          1HB       HIS  84   2.919  11.427 -18.446
  252   2HB   HIS  84          2HB       HIS  84   2.126  12.997 -18.308
  253    HD1  HIS  84           HD1      HIS  84   5.352  12.072 -18.224
  254    HD2  HIS  84           HD2      HIS  84   3.002  13.728 -15.205
  255    HE1  HIS  84           HE1      HIS  84   6.951  13.141 -16.576
  256    H    LYS  85           H        LYS  85   1.444  12.054 -14.284
  257    HA   LYS  85           HA       LYS  85  -0.878  13.704 -14.109
  258   1HB   LYS  85          1HB       LYS  85   1.573  13.218 -12.426
  259   2HB   LYS  85          2HB       LYS  85   0.368  14.403 -11.921
  260   1HG   LYS  85          1HG       LYS  85  -0.577  11.691 -12.767
  261   2HG   LYS  85          2HG       LYS  85   0.169  11.858 -11.177
  262   1HD   LYS  85          1HD       LYS  85  -1.850  13.917 -11.891
  263   2HD   LYS  85          2HD       LYS  85  -2.468  12.287 -11.616
  264   1HE   LYS  85          1HE       LYS  85  -2.471  13.489  -9.486
  265   2HE   LYS  85          2HE       LYS  85  -1.189  12.263  -9.427
  266   1HZ   LYS  85          1HZ       LYS  85  -0.731  15.039 -10.367
  267   2HZ   LYS  85          2HZ       LYS  85  -0.487  14.564  -8.757
  268   3HZ   LYS  85          3HZ       LYS  85   0.436  13.862  -9.998
  269    H    ASP  86           H        ASP  86  -0.327  16.015 -12.874
  270    HA   ASP  86           HA       ASP  86   0.292  18.261 -13.168
  271   1HB   ASP  86          1HB       ASP  86   2.625  17.038 -14.683
  272   2HB   ASP  86          2HB       ASP  86   2.561  18.655 -13.994
  273    H    ASP  87           H        ASP  87   1.410  16.822 -16.248
  274    HA   ASP  87           HA       ASP  87   0.162  18.959 -17.806
  275   1HB   ASP  87          1HB       ASP  87   2.312  17.742 -18.322
  276   2HB   ASP  87          2HB       ASP  87   1.351  16.310 -18.687
  277    H    GLY  88           H        GLY  88  -0.662  15.663 -16.880
  278   1HA   GLY  88          1HA       GLY  88  -2.671  14.471 -17.113
  279   2HA   GLY  88          2HA       GLY  88  -3.435  15.996 -17.563
  280    H    SER  89           H        SER  89  -4.394  15.779 -19.516
  281    HA   SER  89           HA       SER  89  -3.424  13.845 -21.506
  282   1HB   SER  89          1HB       SER  89  -5.427  14.843 -22.749
  283   2HB   SER  89          2HB       SER  89  -5.787  14.091 -21.198
  284    HG   SER  89           HG       SER  89  -6.512  15.958 -20.598
  285    H    ALA  90           H        ALA  90  -2.439  14.379 -23.478
  286    HA   ALA  90           HA       ALA  90  -2.148  17.150 -24.377
  287   1HB   ALA  90          1HB       ALA  90  -0.534  16.655 -22.384
  288   2HB   ALA  90          2HB       ALA  90   0.377  15.715 -23.566
  289   3HB   ALA  90          3HB       ALA  90   0.126  17.441 -23.818
  Start of MODEL   10
    1   1H    SER  45          1H        SER  45  -1.155 -21.678 -11.070
    2   2H    SER  45          2H        SER  45   0.507 -21.416 -10.838
    3   3H    SER  45          3H        SER  45  -0.545 -21.411  -9.507
    4    HA   SER  45           HA       SER  45   0.058 -19.140 -10.092
    5   1HB   SER  45          1HB       SER  45  -1.127 -19.996 -12.752
    6   2HB   SER  45          2HB       SER  45  -0.551 -18.375 -12.371
    7    HG   SER  45           HG       SER  45   0.837 -20.637 -13.032
    8    H    ASP  46           H        ASP  46  -1.800 -17.418 -10.810
    9    HA   ASP  46           HA       ASP  46  -4.531 -18.412 -10.266
   10   1HB   ASP  46          1HB       ASP  46  -3.329 -18.143  -8.065
   11   2HB   ASP  46          2HB       ASP  46  -3.140 -16.429  -8.437
   12    H    GLY  47           H        GLY  47  -3.634 -17.210 -12.598
   13   1HA   GLY  47          1HA       GLY  47  -5.015 -15.534 -13.824
   14   2HA   GLY  47          2HA       GLY  47  -4.842 -14.477 -12.422
   15    H    ASP  48           H        ASP  48  -3.751 -14.867 -15.481
   16    HA   ASP  48           HA       ASP  48  -0.909 -14.205 -15.002
   17   1HB   ASP  48          1HB       ASP  48  -2.670 -15.125 -17.180
   18   2HB   ASP  48          2HB       ASP  48  -1.436 -13.984 -17.704
   19    H    GLN  49           H        GLN  49  -1.970 -12.166 -13.810
   20    HA   GLN  49           HA       GLN  49  -2.854 -10.002 -15.585
   21   1HB   GLN  49          1HB       GLN  49  -2.171 -10.272 -12.648
   22   2HB   GLN  49          2HB       GLN  49  -2.692  -8.747 -13.365
   23   1HG   GLN  49          1HG       GLN  49  -4.716  -9.656 -12.614
   24   2HG   GLN  49          2HG       GLN  49  -4.682 -10.158 -14.305
   25   1HE2  GLN  49          2HE2      GLN  49  -3.176 -11.444 -11.276
   26   2HE2  GLN  49          1HE2      GLN  49  -3.693 -13.041 -11.530
   27    H    CYS  50           H        CYS  50   0.060 -10.755 -13.662
   28    HA   CYS  50           HA       CYS  50   1.500  -8.483 -14.962
   29   1HB   CYS  50          1HB       CYS  50   1.399  -8.783 -12.460
   30   2HB   CYS  50          2HB       CYS  50   2.295 -10.289 -12.656
   31    H    ALA  51           H        ALA  51   1.099 -10.468 -16.785
   32    HA   ALA  51           HA       ALA  51   3.327 -12.403 -16.738
   33   1HB   ALA  51          1HB       ALA  51   0.858 -12.643 -17.587
   34   2HB   ALA  51          2HB       ALA  51   1.468 -11.854 -19.041
   35   3HB   ALA  51          3HB       ALA  51   2.155 -13.392 -18.519
   36    H    SER  52           H        SER  52   2.215  -9.909 -19.073
   37    HA   SER  52           HA       SER  52   4.981  -9.739 -20.163
   38   1HB   SER  52          1HB       SER  52   2.247  -8.781 -21.044
   39   2HB   SER  52          2HB       SER  52   3.724  -8.375 -21.914
   40    HG   SER  52           HG       SER  52   2.413 -10.825 -21.614
   41    H    SER  53           H        SER  53   4.066  -8.508 -17.517
   42    HA   SER  53           HA       SER  53   4.331  -6.472 -16.345
   43   1HB   SER  53          1HB       SER  53   6.148  -5.755 -18.650
   44   2HB   SER  53          2HB       SER  53   6.336  -5.345 -16.948
   45    HG   SER  53           HG       SER  53   6.766  -7.779 -18.282
   46    HA   PRO  54           HA       PRO  54   1.507  -4.203 -19.246
   47   1HB   PRO  54          1HB       PRO  54  -0.525  -3.831 -17.452
   48   2HB   PRO  54          2HB       PRO  54  -0.380  -5.286 -18.460
   49   1HG   PRO  54          1HG       PRO  54   0.335  -4.885 -15.601
   50   2HG   PRO  54          2HG       PRO  54  -0.385  -6.292 -16.400
   51   1HD   PRO  54          1HD       PRO  54   2.251  -6.127 -15.708
   52   2HD   PRO  54          2HD       PRO  54   1.642  -7.126 -17.045
   53    H    CYS  55           H        CYS  55   2.671  -3.622 -15.988
   54    HA   CYS  55           HA       CYS  55   1.884  -0.914 -15.598
   55   1HB   CYS  55          1HB       CYS  55   4.411  -2.381 -14.764
   56   2HB   CYS  55          2HB       CYS  55   3.806  -0.899 -14.027
   57    H    GLN  56           H        GLN  56   2.288   0.718 -17.040
   58    HA   GLN  56           HA       GLN  56   4.653   0.651 -18.806
   59   1HB   GLN  56          1HB       GLN  56   2.041   2.007 -18.577
   60   2HB   GLN  56          2HB       GLN  56   3.326   3.033 -19.213
   61   1HG   GLN  56          1HG       GLN  56   2.399   1.977 -21.126
   62   2HG   GLN  56          2HG       GLN  56   3.875   1.072 -20.789
   63   1HE2  GLN  56          2HE2      GLN  56   0.334   0.989 -20.141
   64   2HE2  GLN  56          1HE2      GLN  56   0.241  -0.703 -20.045
   65    H    ASN  57           H        ASN  57   5.286   3.317 -19.043
   66    HA   ASN  57           HA       ASN  57   6.685   4.972 -18.114
   67   1HB   ASN  57          1HB       ASN  57   4.963   4.362 -15.690
   68   2HB   ASN  57          2HB       ASN  57   5.883   5.839 -15.956
   69   1HD2  ASN  57          2HD2      ASN  57   5.190   5.971 -18.878
   70   2HD2  ASN  57          1HD2      ASN  57   3.559   6.427 -18.940
   71    H    GLY  58           H        GLY  58   7.333   1.967 -17.689
   72   1HA   GLY  58          1HA       GLY  58   9.060   0.759 -16.664
   73   2HA   GLY  58          2HA       GLY  58   9.793   2.320 -16.300
   74    H    GLY  59           H        GLY  59   6.653   1.076 -15.200
   75   1HA   GLY  59          1HA       GLY  59   7.437   1.693 -12.416
   76   2HA   GLY  59          2HA       GLY  59   5.815   1.272 -12.963
   77    H    SER  60           H        SER  60   6.763   0.021 -10.717
   78    HA   SER  60           HA       SER  60   7.915  -2.597 -11.473
   79   1HB   SER  60          1HB       SER  60   7.607  -0.913  -9.112
   80   2HB   SER  60          2HB       SER  60   7.154  -2.580  -8.770
   81    HG   SER  60           HG       SER  60   9.597  -1.550  -9.751
   82    H    CYS  61           H        CYS  61   6.642  -4.346 -11.912
   83    HA   CYS  61           HA       CYS  61   3.711  -4.145 -11.510
   84   1HB   CYS  61          1HB       CYS  61   4.743  -4.799 -13.681
   85   2HB   CYS  61          2HB       CYS  61   5.456  -6.207 -12.895
   86    H    LYS  62           H        LYS  62   2.736  -5.134  -9.806
   87    HA   LYS  62           HA       LYS  62   4.140  -7.432  -8.477
   88   1HB   LYS  62          1HB       LYS  62   3.053  -4.853  -7.478
   89   2HB   LYS  62          2HB       LYS  62   2.712  -6.264  -6.477
   90   1HG   LYS  62          1HG       LYS  62   5.497  -6.034  -7.485
   91   2HG   LYS  62          2HG       LYS  62   5.010  -4.837  -6.286
   92   1HD   LYS  62          1HD       LYS  62   5.933  -6.758  -5.122
   93   2HD   LYS  62          2HD       LYS  62   4.195  -6.710  -4.830
   94   1HE   LYS  62          1HE       LYS  62   3.774  -8.501  -6.327
   95   2HE   LYS  62          2HE       LYS  62   5.365  -8.338  -7.098
   96   1HZ   LYS  62          1HZ       LYS  62   4.905  -9.064  -4.251
   97   2HZ   LYS  62          2HZ       LYS  62   5.334 -10.158  -5.479
   98   3HZ   LYS  62          3HZ       LYS  62   6.415  -8.934  -5.018
   99    H    ASP  63           H        ASP  63   2.793  -9.167  -7.936
  100    HA   ASP  63           HA       ASP  63   0.052  -9.117  -9.067
  101   1HB   ASP  63          1HB       ASP  63   0.236 -11.570  -8.728
  102   2HB   ASP  63          2HB       ASP  63   1.625 -10.938  -9.609
  103    H    GLN  64           H        GLN  64  -1.723  -8.870  -7.777
  104    HA   GLN  64           HA       GLN  64  -1.429  -9.386  -4.832
  105   1HB   GLN  64          1HB       GLN  64  -2.972  -7.242  -6.334
  106   2HB   GLN  64          2HB       GLN  64  -3.010  -7.465  -4.585
  107   1HG   GLN  64          1HG       GLN  64  -0.406  -7.085  -6.062
  108   2HG   GLN  64          2HG       GLN  64  -1.363  -5.708  -5.515
  109   1HE2  GLN  64          2HE2      GLN  64  -1.991  -5.822  -3.076
  110   2HE2  GLN  64          1HE2      GLN  64  -0.820  -6.443  -2.015
  111    H    LEU  65           H        LEU  65  -2.347 -11.316  -6.788
  112    HA   LEU  65           HA       LEU  65  -4.096 -12.869  -7.066
  113   1HB   LEU  65          1HB       LEU  65  -4.060 -12.205  -4.456
  114   2HB   LEU  65          2HB       LEU  65  -5.663 -11.595  -4.868
  115    HG   LEU  65           HG       LEU  65  -4.875 -14.333  -5.801
  116   1HD1  LEU  65          1HD1      LEU  65  -4.469 -13.828  -3.206
  117   2HD1  LEU  65          2HD1      LEU  65  -6.216 -14.056  -3.146
  118   3HD1  LEU  65          3HD1      LEU  65  -5.178 -15.347  -3.750
  119   1HD2  LEU  65          1HD2      LEU  65  -7.095 -12.842  -6.170
  120   2HD2  LEU  65          2HD2      LEU  65  -7.143 -14.601  -6.072
  121   3HD2  LEU  65          3HD2      LEU  65  -7.533 -13.629  -4.654
  122    H    GLN  66           H        GLN  66  -6.036 -12.962  -8.239
  123    HA   GLN  66           HA       GLN  66  -7.805 -12.182  -9.579
  124   1HB   GLN  66          1HB       GLN  66  -7.905 -10.802  -7.027
  125   2HB   GLN  66          2HB       GLN  66  -8.501  -9.746  -8.307
  126   1HG   GLN  66          1HG       GLN  66 -10.112 -11.414  -9.014
  127   2HG   GLN  66          2HG       GLN  66  -9.439 -12.598  -7.893
  128   1HE2  GLN  66          2HE2      GLN  66 -10.995 -12.843  -6.268
  129   2HE2  GLN  66          1HE2      GLN  66 -11.739 -11.559  -5.443
  130    H    SER  67           H        SER  67  -6.687  -8.956  -8.554
  131    HA   SER  67           HA       SER  67  -6.114  -8.333 -11.420
  132   1HB   SER  67          1HB       SER  67  -6.540  -6.043 -10.734
  133   2HB   SER  67          2HB       SER  67  -7.818  -7.054 -10.066
  134    HG   SER  67           HG       SER  67  -7.020  -6.783  -8.100
  135    H    TYR  68           H        TYR  68  -4.509  -6.039 -10.876
  136    HA   TYR  68           HA       TYR  68  -2.099  -7.149  -9.495
  137   1HB   TYR  68          1HB       TYR  68  -0.761  -6.384 -11.468
  138   2HB   TYR  68          2HB       TYR  68  -1.919  -7.644 -11.888
  139    HD1  TYR  68           HD1      TYR  68  -1.118  -4.054 -12.161
  140    HD2  TYR  68           HD2      TYR  68  -3.891  -7.152 -13.239
  141    HE1  TYR  68           HE1      TYR  68  -2.147  -2.548 -13.841
  142    HE2  TYR  68           HE2      TYR  68  -4.920  -5.647 -14.919
  143    HH   TYR  68           HH       TYR  68  -5.126  -3.218 -15.327
  144    H    ILE  69           H        ILE  69  -0.366  -5.304  -9.411
  145    HA   ILE  69           HA       ILE  69  -1.641  -2.620  -9.096
  146    HB   ILE  69           HB       ILE  69  -1.680  -3.812  -6.933
  147   1HG1  ILE  69          1HG1      ILE  69   0.512  -1.715  -6.958
  148   2HG1  ILE  69          2HG1      ILE  69  -1.211  -1.345  -7.035
  149   1HG2  ILE  69          1HG2      ILE  69   0.329  -5.269  -7.543
  150   2HG2  ILE  69          2HG2      ILE  69   1.340  -3.899  -7.085
  151   3HG2  ILE  69          3HG2      ILE  69   0.292  -4.660  -5.889
  152   1HD1  ILE  69          1HD1      ILE  69  -1.227  -2.976  -4.894
  153   2HD1  ILE  69          2HD1      ILE  69   0.412  -2.341  -4.747
  154   3HD1  ILE  69          3HD1      ILE  69  -0.964  -1.237  -4.755
  155    H    CYS  70           H        CYS  70  -0.407  -1.184 -10.232
  156    HA   CYS  70           HA       CYS  70   2.392  -1.881 -10.930
  157   1HB   CYS  70          1HB       CYS  70   0.392   0.218 -11.806
  158   2HB   CYS  70          2HB       CYS  70   2.053   0.187 -12.396
  159    H    PHE  71           H        PHE  71   4.134  -0.838 -10.034
  160    HA   PHE  71           HA       PHE  71   3.601   1.330  -8.044
  161   1HB   PHE  71          1HB       PHE  71   5.723  -0.770  -8.476
  162   2HB   PHE  71          2HB       PHE  71   6.047   0.621  -7.440
  163    HD1  PHE  71           HD1      PHE  71   4.403   1.118  -5.534
  164    HD2  PHE  71           HD2      PHE  71   4.467  -2.604  -7.676
  165    HE1  PHE  71           HE1      PHE  71   3.157   0.033  -3.685
  166    HE2  PHE  71           HE2      PHE  71   3.221  -3.689  -5.827
  167    HZ   PHE  71           HZ       PHE  71   2.566  -2.371  -3.832
  168    H    CYS  72           H        CYS  72   3.386   2.688 -10.157
  169    HA   CYS  72           HA       CYS  72   5.885   3.308 -11.573
  170   1HB   CYS  72          1HB       CYS  72   3.089   4.484 -11.599
  171   2HB   CYS  72          2HB       CYS  72   4.361   4.911 -12.743
  172    H    LEU  73           H        LEU  73   6.201   5.855 -11.848
  173    HA   LEU  73           HA       LEU  73   6.992   6.897  -9.246
  174   1HB   LEU  73          1HB       LEU  73   6.910   8.087 -12.041
  175   2HB   LEU  73          2HB       LEU  73   7.746   8.814 -10.672
  176    HG   LEU  73           HG       LEU  73   8.305   5.983 -11.493
  177   1HD1  LEU  73          1HD1      LEU  73   8.974   8.421 -12.964
  178   2HD1  LEU  73          2HD1      LEU  73  10.407   7.505 -12.499
  179   3HD1  LEU  73          3HD1      LEU  73   9.140   6.735 -13.453
  180   1HD2  LEU  73          1HD2      LEU  73   9.758   8.134  -9.941
  181   2HD2  LEU  73          2HD2      LEU  73   9.190   6.573  -9.349
  182   3HD2  LEU  73          3HD2      LEU  73  10.550   6.649 -10.469
  183    HA   PRO  74           HA       PRO  74   3.439   9.317  -8.301
  184   1HB   PRO  74          1HB       PRO  74   4.496  11.692  -7.425
  185   2HB   PRO  74          2HB       PRO  74   4.528  10.198  -6.464
  186   1HG   PRO  74          1HG       PRO  74   6.677  11.422  -8.128
  187   2HG   PRO  74          2HG       PRO  74   6.784  10.650  -6.537
  188   1HD   PRO  74          1HD       PRO  74   7.501   9.388  -8.817
  189   2HD   PRO  74          2HD       PRO  74   6.819   8.525  -7.422
  190    H    ALA  75           H        ALA  75   5.610  10.276 -10.794
  191    HA   ALA  75           HA       ALA  75   4.004  12.615 -11.634
  192   1HB   ALA  75          1HB       ALA  75   6.623  12.090 -11.713
  193   2HB   ALA  75          2HB       ALA  75   6.185  11.383 -13.269
  194   3HB   ALA  75          3HB       ALA  75   5.852  13.085 -12.949
  195    H    PHE  76           H        PHE  76   3.342   9.427 -11.808
  196    HA   PHE  76           HA       PHE  76   2.296   9.601 -14.618
  197   1HB   PHE  76          1HB       PHE  76   3.441   7.314 -12.997
  198   2HB   PHE  76          2HB       PHE  76   2.553   7.059 -14.499
  199    HD1  PHE  76           HD1      PHE  76   3.365   9.070 -16.323
  200    HD2  PHE  76           HD2      PHE  76   5.732   7.118 -13.318
  201    HE1  PHE  76           HE1      PHE  76   5.422   9.573 -17.615
  202    HE2  PHE  76           HE2      PHE  76   7.786   7.622 -14.610
  203    HZ   PHE  76           HZ       PHE  76   7.633   8.847 -16.756
  204    H    GLU  77           H        GLU  77   0.271   8.335 -14.942
  205    HA   GLU  77           HA       GLU  77  -1.283   7.682 -12.496
  206   1HB   GLU  77          1HB       GLU  77  -1.368  10.201 -13.563
  207   2HB   GLU  77          2HB       GLU  77  -2.682   9.421 -14.444
  208   1HG   GLU  77          1HG       GLU  77  -3.675  10.312 -12.464
  209   2HG   GLU  77          2HG       GLU  77  -3.514   8.579 -12.179
  210    H    GLY  78           H        GLY  78  -3.503   6.788 -13.197
  211   1HA   GLY  78          1HA       GLY  78  -4.860   5.756 -14.960
  212   2HA   GLY  78          2HA       GLY  78  -3.382   5.510 -15.893
  213    H    ARG  79           H        ARG  79  -5.353   3.481 -15.090
  214    HA   ARG  79           HA       ARG  79  -4.498   1.886 -12.884
  215   1HB   ARG  79          1HB       ARG  79  -6.617   1.673 -14.200
  216   2HB   ARG  79          2HB       ARG  79  -5.679   1.020 -15.544
  217   1HG   ARG  79          1HG       ARG  79  -6.213  -0.976 -14.552
  218   2HG   ARG  79          2HG       ARG  79  -4.797  -0.597 -13.569
  219   1HD   ARG  79          1HD       ARG  79  -6.441   0.641 -11.999
  220   2HD   ARG  79          2HD       ARG  79  -7.716  -0.245 -12.859
  221    HE   ARG  79           HE       ARG  79  -6.860  -2.291 -11.978
  222   1HH1  ARG  79          1HH1      ARG  79  -4.539   0.266 -11.513
  223   2HH1  ARG  79          2HH1      ARG  79  -3.705  -0.574 -10.253
  224   1HH2  ARG  79          1HH2      ARG  79  -5.838  -3.297 -10.242
  225   2HH2  ARG  79          2HH2      ARG  79  -4.430  -2.572  -9.540
  226    H    ASN  80           H        ASN  80  -3.566   1.742 -16.332
  227    HA   ASN  80           HA       ASN  80  -1.383  -0.177 -15.666
  228   1HB   ASN  80          1HB       ASN  80  -2.834   0.740 -18.144
  229   2HB   ASN  80          2HB       ASN  80  -1.296  -0.111 -18.280
  230   1HD2  ASN  80          2HD2      ASN  80  -1.293  -2.173 -16.643
  231   2HD2  ASN  80          1HD2      ASN  80  -2.681  -3.143 -16.760
  232    H    CYS  81           H        CYS  81  -1.410   2.837 -15.086
  233    HA   CYS  81           HA       CYS  81   0.085   4.653 -15.220
  234   1HB   CYS  81          1HB       CYS  81   1.791   2.241 -15.873
  235   2HB   CYS  81          2HB       CYS  81   2.479   3.848 -15.660
  236    H    GLU  82           H        GLU  82  -1.466   4.812 -17.367
  237    HA   GLU  82           HA       GLU  82   0.349   5.026 -19.744
  238   1HB   GLU  82          1HB       GLU  82  -1.782   4.860 -21.029
  239   2HB   GLU  82          2HB       GLU  82  -1.529   3.465 -19.982
  240   1HG   GLU  82          1HG       GLU  82  -2.991   5.712 -18.725
  241   2HG   GLU  82          2HG       GLU  82  -3.843   4.920 -20.050
  242    H    THR  83           H        THR  83  -0.353   7.015 -17.410
  243    HA   THR  83           HA       THR  83  -0.886   9.339 -19.218
  244    HB   THR  83           HB       THR  83  -2.135   8.802 -16.503
  245    HG1  THR  83           HG1      THR  83  -3.679   7.896 -17.575
  246   1HG2  THR  83          1HG2      THR  83  -2.287  11.074 -18.473
  247   2HG2  THR  83          2HG2      THR  83  -3.617  10.753 -17.359
  248   3HG2  THR  83          3HG2      THR  83  -2.015  11.139 -16.732
  249    H    HIS  84           H        HIS  84   0.396  11.119 -18.732
  250    HA   HIS  84           HA       HIS  84   2.331  10.816 -16.472
  251   1HB   HIS  84          1HB       HIS  84   2.987  11.066 -18.945
  252   2HB   HIS  84          2HB       HIS  84   2.430  12.733 -18.811
  253    HD1  HIS  84           HD1      HIS  84   5.484  11.690 -19.168
  254    HD2  HIS  84           HD2      HIS  84   3.725  13.137 -15.676
  255    HE1  HIS  84           HE1      HIS  84   7.376  12.507 -17.698
  256    H    LYS  85           H        LYS  85   1.941  12.062 -14.695
  257    HA   LYS  85           HA       LYS  85  -0.036  14.230 -14.750
  258   1HB   LYS  85          1HB       LYS  85   1.830  13.141 -12.616
  259   2HB   LYS  85          2HB       LYS  85   0.516  14.277 -12.316
  260   1HG   LYS  85          1HG       LYS  85  -0.057  11.695 -13.741
  261   2HG   LYS  85          2HG       LYS  85   0.096  11.706 -11.984
  262   1HD   LYS  85          1HD       LYS  85  -1.746  13.547 -13.534
  263   2HD   LYS  85          2HD       LYS  85  -2.263  12.037 -12.784
  264   1HE   LYS  85          1HE       LYS  85  -1.011  13.175 -10.666
  265   2HE   LYS  85          2HE       LYS  85  -1.575  14.632 -11.509
  266   1HZ   LYS  85          1HZ       LYS  85  -3.765  13.508 -11.738
  267   2HZ   LYS  85          2HZ       LYS  85  -3.201  12.278 -10.712
  268   3HZ   LYS  85          3HZ       LYS  85  -3.350  13.868 -10.134
  269    H    ASP  86           H        ASP  86   1.062  16.074 -12.982
  270    HA   ASP  86           HA       ASP  86   2.357  18.049 -12.984
  271   1HB   ASP  86          1HB       ASP  86   3.956  15.906 -12.698
  272   2HB   ASP  86          2HB       ASP  86   4.615  16.530 -14.211
  273    H    ASP  87           H        ASP  87   0.806  18.498 -14.966
  274    HA   ASP  87           HA       ASP  87   2.534  19.397 -17.215
  275   1HB   ASP  87          1HB       ASP  87   0.927  18.382 -18.829
  276   2HB   ASP  87          2HB       ASP  87   1.703  17.163 -17.819
  277    H    GLY  88           H        GLY  88   2.089  21.556 -17.324
  278   1HA   GLY  88          1HA       GLY  88  -0.228  22.803 -16.207
  279   2HA   GLY  88          2HA       GLY  88   0.887  23.572 -17.338
  280    H    SER  89           H        SER  89  -2.163  21.961 -17.003
  281    HA   SER  89           HA       SER  89  -3.041  22.895 -19.627
  282   1HB   SER  89          1HB       SER  89  -2.178  20.078 -19.105
  283   2HB   SER  89          2HB       SER  89  -3.565  20.333 -20.158
  284    HG   SER  89           HG       SER  89  -2.188  21.845 -21.314
  285    H    ALA  90           H        ALA  90  -3.965  20.025 -17.710
  286    HA   ALA  90           HA       ALA  90  -6.761  20.929 -17.607
  287   1HB   ALA  90          1HB       ALA  90  -5.235  18.536 -16.536
  288   2HB   ALA  90          2HB       ALA  90  -6.983  18.718 -16.401
  289   3HB   ALA  90          3HB       ALA  90  -6.230  18.593 -17.990
  Start of MODEL   11
    1   1H    SER  45          1H        SER  45  -8.969 -16.973  -9.400
    2   2H    SER  45          2H        SER  45  -9.398 -17.595  -7.878
    3   3H    SER  45          3H        SER  45  -9.010 -15.952  -8.043
    4    HA   SER  45           HA       SER  45  -7.126 -17.034  -7.066
    5   1HB   SER  45          1HB       SER  45  -7.482 -18.903  -9.431
    6   2HB   SER  45          2HB       SER  45  -6.188 -19.014  -8.241
    7    HG   SER  45           HG       SER  45  -7.589 -19.685  -6.761
    8    H    ASP  46           H        ASP  46  -4.812 -17.178  -8.213
    9    HA   ASP  46           HA       ASP  46  -4.579 -14.777  -9.897
   10   1HB   ASP  46          1HB       ASP  46  -3.098 -15.377  -7.952
   11   2HB   ASP  46          2HB       ASP  46  -2.487 -16.735  -8.898
   12    H    GLY  47           H        GLY  47  -3.866 -14.767 -12.056
   13   1HA   GLY  47          1HA       GLY  47  -3.306 -17.384 -13.357
   14   2HA   GLY  47          2HA       GLY  47  -4.587 -16.371 -14.023
   15    H    ASP  48           H        ASP  48  -3.995 -14.885 -15.528
   16    HA   ASP  48           HA       ASP  48  -1.071 -14.270 -15.815
   17   1HB   ASP  48          1HB       ASP  48  -2.166 -15.596 -17.617
   18   2HB   ASP  48          2HB       ASP  48  -3.319 -14.283 -17.857
   19    H    GLN  49           H        GLN  49  -1.402 -12.458 -14.258
   20    HA   GLN  49           HA       GLN  49  -2.976 -10.164 -15.368
   21   1HB   GLN  49          1HB       GLN  49  -1.970 -10.945 -12.622
   22   2HB   GLN  49          2HB       GLN  49  -2.637  -9.348 -12.961
   23   1HG   GLN  49          1HG       GLN  49  -4.513 -10.552 -12.212
   24   2HG   GLN  49          2HG       GLN  49  -4.652 -10.651 -13.967
   25   1HE2  GLN  49          2HE2      GLN  49  -5.464 -12.733 -14.355
   26   2HE2  GLN  49          1HE2      GLN  49  -4.794 -14.157 -13.721
   27    H    CYS  50           H        CYS  50   0.109 -10.823 -13.660
   28    HA   CYS  50           HA       CYS  50   1.296  -8.440 -15.050
   29   1HB   CYS  50          1HB       CYS  50   1.044  -8.417 -12.544
   30   2HB   CYS  50          2HB       CYS  50   2.117  -9.815 -12.471
   31    H    ALA  51           H        ALA  51   1.246 -10.779 -16.533
   32    HA   ALA  51           HA       ALA  51   3.773 -12.258 -16.115
   33   1HB   ALA  51          1HB       ALA  51   1.441 -13.143 -16.847
   34   2HB   ALA  51          2HB       ALA  51   1.855 -12.491 -18.432
   35   3HB   ALA  51          3HB       ALA  51   2.857 -13.748 -17.708
   36    H    SER  52           H        SER  52   2.283 -10.400 -18.803
   37    HA   SER  52           HA       SER  52   4.965 -10.050 -20.039
   38   1HB   SER  52          1HB       SER  52   3.499  -9.124 -21.897
   39   2HB   SER  52          2HB       SER  52   3.176 -10.801 -21.467
   40    HG   SER  52           HG       SER  52   1.592  -8.591 -21.249
   41    H    SER  53           H        SER  53   4.021  -8.569 -17.540
   42    HA   SER  53           HA       SER  53   4.088  -6.373 -16.670
   43   1HB   SER  53          1HB       SER  53   6.345  -6.743 -17.756
   44   2HB   SER  53          2HB       SER  53   5.727  -5.908 -19.178
   45    HG   SER  53           HG       SER  53   5.905  -4.074 -18.158
   46    HA   PRO  54           HA       PRO  54   0.865  -4.870 -19.641
   47   1HB   PRO  54          1HB       PRO  54  -1.066  -4.402 -17.759
   48   2HB   PRO  54          2HB       PRO  54  -0.836  -5.982 -18.535
   49   1HG   PRO  54          1HG       PRO  54   0.039  -5.048 -15.850
   50   2HG   PRO  54          2HG       PRO  54  -0.590  -6.626 -16.347
   51   1HD   PRO  54          1HD       PRO  54   2.058  -6.121 -15.928
   52   2HD   PRO  54          2HD       PRO  54   1.458  -7.368 -17.043
   53    H    CYS  55           H        CYS  55   2.263  -3.644 -16.681
   54    HA   CYS  55           HA       CYS  55   1.263  -0.894 -17.112
   55   1HB   CYS  55          1HB       CYS  55   3.080  -2.215 -15.068
   56   2HB   CYS  55          2HB       CYS  55   2.551  -0.533 -14.980
   57    H    GLN  56           H        GLN  56   2.559   0.807 -17.845
   58    HA   GLN  56           HA       GLN  56   5.305   0.072 -18.811
   59   1HB   GLN  56          1HB       GLN  56   4.809   1.638 -20.666
   60   2HB   GLN  56          2HB       GLN  56   3.577   0.385 -20.555
   61   1HG   GLN  56          1HG       GLN  56   2.042   1.874 -19.451
   62   2HG   GLN  56          2HG       GLN  56   3.289   3.106 -19.260
   63   1HE2  GLN  56          2HE2      GLN  56   1.101   1.592 -21.594
   64   2HE2  GLN  56          1HE2      GLN  56   1.354   2.725 -22.833
   65    H    ASN  57           H        ASN  57   5.864   2.842 -19.568
   66    HA   ASN  57           HA       ASN  57   6.892   4.745 -18.640
   67   1HB   ASN  57          1HB       ASN  57   4.416   4.274 -16.987
   68   2HB   ASN  57          2HB       ASN  57   5.492   5.618 -16.608
   69   1HD2  ASN  57          2HD2      ASN  57   2.802   6.020 -17.583
   70   2HD2  ASN  57          1HD2      ASN  57   2.906   6.740 -19.116
   71    H    GLY  58           H        GLY  58   7.845   2.092 -17.754
   72   1HA   GLY  58          1HA       GLY  58   9.340   1.214 -16.175
   73   2HA   GLY  58          2HA       GLY  58   9.643   2.884 -15.696
   74    H    GLY  59           H        GLY  59   6.432   1.482 -15.547
   75   1HA   GLY  59          1HA       GLY  59   6.176   2.155 -12.742
   76   2HA   GLY  59          2HA       GLY  59   4.985   1.274 -13.701
   77    H    SER  60           H        SER  60   5.564   0.496 -11.076
   78    HA   SER  60           HA       SER  60   7.290  -1.935 -11.370
   79   1HB   SER  60          1HB       SER  60   6.110  -0.795  -8.834
   80   2HB   SER  60          2HB       SER  60   7.548  -1.795  -9.012
   81    HG   SER  60           HG       SER  60   8.658  -0.091  -9.740
   82    H    CYS  61           H        CYS  61   5.943  -3.544 -12.181
   83    HA   CYS  61           HA       CYS  61   3.156  -3.794 -11.237
   84   1HB   CYS  61          1HB       CYS  61   3.846  -4.071 -13.612
   85   2HB   CYS  61          2HB       CYS  61   4.842  -5.449 -13.146
   86    H    LYS  62           H        LYS  62   2.427  -5.391  -9.860
   87    HA   LYS  62           HA       LYS  62   4.365  -7.468  -8.914
   88   1HB   LYS  62          1HB       LYS  62   3.106  -5.214  -7.494
   89   2HB   LYS  62          2HB       LYS  62   2.893  -6.761  -6.677
   90   1HG   LYS  62          1HG       LYS  62   5.508  -6.962  -7.326
   91   2HG   LYS  62          2HG       LYS  62   5.379  -5.209  -7.173
   92   1HD   LYS  62          1HD       LYS  62   4.085  -6.826  -5.036
   93   2HD   LYS  62          2HD       LYS  62   5.849  -6.812  -5.058
   94   1HE   LYS  62          1HE       LYS  62   4.526  -4.168  -5.413
   95   2HE   LYS  62          2HE       LYS  62   4.420  -4.897  -3.798
   96   1HZ   LYS  62          1HZ       LYS  62   6.932  -4.700  -5.370
   97   2HZ   LYS  62          2HZ       LYS  62   6.487  -3.593  -4.165
   98   3HZ   LYS  62          3HZ       LYS  62   6.771  -5.218  -3.760
   99    H    ASP  63           H        ASP  63   3.401  -9.476  -8.669
  100    HA   ASP  63           HA       ASP  63   0.711  -9.899  -9.676
  101   1HB   ASP  63          1HB       ASP  63   1.247 -12.263  -9.104
  102   2HB   ASP  63          2HB       ASP  63   2.561 -11.487  -9.986
  103    H    GLN  64           H        GLN  64  -1.173  -9.906  -8.525
  104    HA   GLN  64           HA       GLN  64  -1.072 -10.362  -5.569
  105   1HB   GLN  64          1HB       GLN  64  -2.189  -8.050  -7.151
  106   2HB   GLN  64          2HB       GLN  64  -2.865  -8.456  -5.574
  107   1HG   GLN  64          1HG       GLN  64   0.075  -7.924  -6.092
  108   2HG   GLN  64          2HG       GLN  64  -1.056  -6.740  -5.438
  109   1HE2  GLN  64          2HE2      GLN  64   1.201  -9.050  -4.501
  110   2HE2  GLN  64          1HE2      GLN  64   0.641  -9.338  -2.924
  111    H    LEU  65           H        LEU  65  -3.315 -10.851  -4.721
  112    HA   LEU  65           HA       LEU  65  -4.617 -12.895  -6.256
  113   1HB   LEU  65          1HB       LEU  65  -5.119 -11.346  -3.740
  114   2HB   LEU  65          2HB       LEU  65  -6.431 -12.331  -4.387
  115    HG   LEU  65           HG       LEU  65  -4.418 -14.111  -4.591
  116   1HD1  LEU  65          1HD1      LEU  65  -2.824 -12.434  -3.593
  117   2HD1  LEU  65          2HD1      LEU  65  -3.760 -12.513  -2.101
  118   3HD1  LEU  65          3HD1      LEU  65  -2.923 -13.948  -2.693
  119   1HD2  LEU  65          1HD2      LEU  65  -6.704 -13.937  -3.173
  120   2HD2  LEU  65          2HD2      LEU  65  -5.537 -15.235  -2.924
  121   3HD2  LEU  65          3HD2      LEU  65  -5.546 -13.838  -1.847
  122    H    GLN  66           H        GLN  66  -6.724 -12.841  -7.250
  123    HA   GLN  66           HA       GLN  66  -8.510 -11.920  -8.481
  124   1HB   GLN  66          1HB       GLN  66  -8.417 -10.498  -6.182
  125   2HB   GLN  66          2HB       GLN  66  -8.091  -9.204  -7.335
  126   1HG   GLN  66          1HG       GLN  66 -10.381  -9.130  -7.437
  127   2HG   GLN  66          2HG       GLN  66 -10.135 -10.424  -8.609
  128   1HE2  GLN  66          2HE2      GLN  66  -9.446 -12.550  -6.828
  129   2HE2  GLN  66          1HE2      GLN  66 -10.797 -12.907  -5.866
  130    H    SER  67           H        SER  67  -6.142  -9.230  -8.149
  131    HA   SER  67           HA       SER  67  -5.738  -9.316 -11.108
  132   1HB   SER  67          1HB       SER  67  -7.559  -7.714 -10.469
  133   2HB   SER  67          2HB       SER  67  -6.396  -6.846  -9.470
  134    HG   SER  67           HG       SER  67  -6.619  -7.027 -12.247
  135    H    TYR  68           H        TYR  68  -4.191  -6.910 -11.161
  136    HA   TYR  68           HA       TYR  68  -1.797  -7.768  -9.572
  137   1HB   TYR  68          1HB       TYR  68  -0.540  -6.648 -11.424
  138   2HB   TYR  68          2HB       TYR  68  -1.565  -7.961 -12.002
  139    HD1  TYR  68           HD1      TYR  68  -1.463  -4.249 -11.545
  140    HD2  TYR  68           HD2      TYR  68  -3.236  -7.562 -13.626
  141    HE1  TYR  68           HE1      TYR  68  -2.629  -2.673 -13.061
  142    HE2  TYR  68           HE2      TYR  68  -4.402  -5.985 -15.142
  143    HH   TYR  68           HH       TYR  68  -5.167  -3.330 -14.796
  144    H    ILE  69           H        ILE  69  -0.252  -5.824  -9.222
  145    HA   ILE  69           HA       ILE  69  -1.764  -3.320  -8.599
  146    HB   ILE  69           HB       ILE  69  -1.594  -4.755  -6.588
  147   1HG1  ILE  69          1HG1      ILE  69   0.359  -2.446  -6.405
  148   2HG1  ILE  69          2HG1      ILE  69  -1.392  -2.243  -6.451
  149   1HG2  ILE  69          1HG2      ILE  69   0.574  -5.868  -7.428
  150   2HG2  ILE  69          2HG2      ILE  69   1.408  -4.461  -6.769
  151   3HG2  ILE  69          3HG2      ILE  69   0.476  -5.511  -5.705
  152   1HD1  ILE  69          1HD1      ILE  69  -1.243  -4.081  -4.496
  153   2HD1  ILE  69          2HD1      ILE  69   0.332  -3.320  -4.276
  154   3HD1  ILE  69          3HD1      ILE  69  -1.137  -2.350  -4.170
  155    H    CYS  70           H        CYS  70  -0.744  -1.749  -9.781
  156    HA   CYS  70           HA       CYS  70   2.205  -2.000 -10.219
  157   1HB   CYS  70          1HB       CYS  70  -0.106  -0.856 -11.760
  158   2HB   CYS  70          2HB       CYS  70   1.534  -0.298 -12.094
  159    H    PHE  71           H        PHE  71   3.543  -0.373  -9.535
  160    HA   PHE  71           HA       PHE  71   2.303   1.960  -8.129
  161   1HB   PHE  71          1HB       PHE  71   5.047   0.661  -7.988
  162   2HB   PHE  71          2HB       PHE  71   4.541   2.040  -7.013
  163    HD1  PHE  71           HD1      PHE  71   3.986  -1.563  -7.675
  164    HD2  PHE  71           HD2      PHE  71   3.027   1.780  -5.150
  165    HE1  PHE  71           HE1      PHE  71   2.951  -3.101  -6.030
  166    HE2  PHE  71           HE2      PHE  71   1.992   0.240  -3.505
  167    HZ   PHE  71           HZ       PHE  71   1.955  -2.201  -3.945
  168    H    CYS  72           H        CYS  72   2.093   3.514  -9.759
  169    HA   CYS  72           HA       CYS  72   4.031   3.868 -11.892
  170   1HB   CYS  72          1HB       CYS  72   1.867   5.723 -10.842
  171   2HB   CYS  72          2HB       CYS  72   2.620   5.807 -12.431
  172    H    LEU  73           H        LEU  73   4.682   6.411 -12.138
  173    HA   LEU  73           HA       LEU  73   6.617   6.905  -9.981
  174   1HB   LEU  73          1HB       LEU  73   6.148   7.596 -12.775
  175   2HB   LEU  73          2HB       LEU  73   6.617   9.016 -11.843
  176    HG   LEU  73           HG       LEU  73   8.582   7.761 -10.974
  177   1HD1  LEU  73          1HD1      LEU  73   7.633   5.640 -12.927
  178   2HD1  LEU  73          2HD1      LEU  73   9.173   5.614 -12.068
  179   3HD1  LEU  73          3HD1      LEU  73   7.660   5.489 -11.170
  180   1HD2  LEU  73          1HD2      LEU  73   8.473   9.110 -13.217
  181   2HD2  LEU  73          2HD2      LEU  73   9.886   8.106 -12.889
  182   3HD2  LEU  73          3HD2      LEU  73   8.621   7.523 -13.973
  183    HA   PRO  74           HA       PRO  74   4.411  10.014  -7.791
  184   1HB   PRO  74          1HB       PRO  74   6.153  12.123  -7.591
  185   2HB   PRO  74          2HB       PRO  74   6.326  10.623  -6.656
  186   1HG   PRO  74          1HG       PRO  74   7.712  11.458  -9.164
  187   2HG   PRO  74          2HG       PRO  74   8.371  10.659  -7.726
  188   1HD   PRO  74          1HD       PRO  74   7.797   9.302  -9.983
  189   2HD   PRO  74          2HD       PRO  74   7.612   8.576  -8.370
  190    H    ALA  75           H        ALA  75   5.782  10.951 -10.881
  191    HA   ALA  75           HA       ALA  75   3.779  13.167 -11.113
  192   1HB   ALA  75          1HB       ALA  75   6.541  12.637 -12.071
  193   2HB   ALA  75          2HB       ALA  75   5.483  13.479 -13.204
  194   3HB   ALA  75          3HB       ALA  75   5.788  14.163 -11.606
  195    H    PHE  76           H        PHE  76   3.541  10.076 -11.632
  196    HA   PHE  76           HA       PHE  76   2.647  10.255 -14.491
  197   1HB   PHE  76          1HB       PHE  76   3.759   8.082 -12.725
  198   2HB   PHE  76          2HB       PHE  76   2.823   7.663 -14.159
  199    HD1  PHE  76           HD1      PHE  76   5.531  10.120 -13.245
  200    HD2  PHE  76           HD2      PHE  76   4.058   7.241 -16.073
  201    HE1  PHE  76           HE1      PHE  76   7.527  10.494 -14.663
  202    HE2  PHE  76           HE2      PHE  76   6.060   7.613 -17.489
  203    HZ   PHE  76           HZ       PHE  76   7.794   9.237 -16.781
  204    H    GLU  77           H        GLU  77   0.732   8.709 -14.917
  205    HA   GLU  77           HA       GLU  77  -1.093   8.350 -12.601
  206   1HB   GLU  77          1HB       GLU  77  -1.137  10.675 -14.018
  207   2HB   GLU  77          2HB       GLU  77  -2.267   9.707 -14.966
  208   1HG   GLU  77          1HG       GLU  77  -3.751   9.445 -13.177
  209   2HG   GLU  77          2HG       GLU  77  -2.507   9.772 -11.970
  210    H    GLY  78           H        GLY  78  -3.193   7.266 -13.438
  211   1HA   GLY  78          1HA       GLY  78  -4.278   5.889 -15.138
  212   2HA   GLY  78          2HA       GLY  78  -2.696   5.611 -15.868
  213    H    ARG  79           H        ARG  79  -4.825   3.737 -14.728
  214    HA   ARG  79           HA       ARG  79  -3.887   2.493 -12.335
  215   1HB   ARG  79          1HB       ARG  79  -6.089   2.141 -13.444
  216   2HB   ARG  79          2HB       ARG  79  -5.273   1.285 -14.754
  217   1HG   ARG  79          1HG       ARG  79  -4.548  -0.465 -13.274
  218   2HG   ARG  79          2HG       ARG  79  -5.057   0.447 -11.852
  219   1HD   ARG  79          1HD       ARG  79  -7.420   0.301 -12.612
  220   2HD   ARG  79          2HD       ARG  79  -6.894  -0.670 -14.001
  221    HE   ARG  79           HE       ARG  79  -6.442  -2.481 -12.530
  222   1HH1  ARG  79          1HH1      ARG  79  -6.695   0.472 -10.701
  223   2HH1  ARG  79          2HH1      ARG  79  -6.956  -0.351  -9.202
  224   1HH2  ARG  79          1HH2      ARG  79  -6.920  -3.520 -10.589
  225   2HH2  ARG  79          2HH2      ARG  79  -7.081  -2.589  -9.137
  226    H    ASN  80           H        ASN  80  -3.004   2.003 -15.743
  227    HA   ASN  80           HA       ASN  80  -0.980  -0.039 -14.942
  228   1HB   ASN  80          1HB       ASN  80  -2.276   0.831 -17.533
  229   2HB   ASN  80          2HB       ASN  80  -0.904  -0.277 -17.503
  230   1HD2  ASN  80          2HD2      ASN  80  -1.304  -2.461 -16.910
  231   2HD2  ASN  80          1HD2      ASN  80  -2.836  -3.046 -16.472
  232    H    CYS  81           H        CYS  81  -0.768   2.998 -14.578
  233    HA   CYS  81           HA       CYS  81   0.868   4.679 -14.850
  234   1HB   CYS  81          1HB       CYS  81   2.546   2.248 -15.562
  235   2HB   CYS  81          2HB       CYS  81   3.155   3.794 -14.982
  236    H    GLU  82           H        GLU  82  -0.728   4.674 -17.036
  237    HA   GLU  82           HA       GLU  82   1.137   4.697 -19.387
  238   1HB   GLU  82          1HB       GLU  82  -0.946   4.336 -20.703
  239   2HB   GLU  82          2HB       GLU  82  -0.693   3.062 -19.512
  240   1HG   GLU  82          1HG       GLU  82  -2.341   3.969 -18.044
  241   2HG   GLU  82          2HG       GLU  82  -2.403   5.490 -18.935
  242    H    THR  83           H        THR  83   0.339   6.877 -17.275
  243    HA   THR  83           HA       THR  83  -0.213   9.000 -19.308
  244    HB   THR  83           HB       THR  83  -1.543   8.699 -16.596
  245    HG1  THR  83           HG1      THR  83  -2.925   7.528 -17.618
  246   1HG2  THR  83          1HG2      THR  83  -1.845  10.686 -18.856
  247   2HG2  THR  83          2HG2      THR  83  -3.037  10.506 -17.569
  248   3HG2  THR  83          3HG2      THR  83  -1.394  11.019 -17.184
  249    H    HIS  84           H        HIS  84   0.867  10.949 -18.869
  250    HA   HIS  84           HA       HIS  84   2.681  10.944 -16.477
  251   1HB   HIS  84          1HB       HIS  84   3.497  10.757 -18.968
  252   2HB   HIS  84          2HB       HIS  84   3.149  12.486 -19.021
  253    HD1  HIS  84           HD1      HIS  84   6.067  11.113 -19.067
  254    HD2  HIS  84           HD2      HIS  84   4.250  12.964 -15.803
  255    HE1  HIS  84           HE1      HIS  84   7.937  11.815 -17.509
  256    H    LYS  85           H        LYS  85   2.361  12.615 -15.061
  257    HA   LYS  85           HA       LYS  85   0.393  14.720 -15.705
  258   1HB   LYS  85          1HB       LYS  85   1.966  13.862 -13.263
  259   2HB   LYS  85          2HB       LYS  85   0.901  15.270 -13.252
  260   1HG   LYS  85          1HG       LYS  85  -0.220  12.731 -14.340
  261   2HG   LYS  85          2HG       LYS  85   0.024  12.819 -12.595
  262   1HD   LYS  85          1HD       LYS  85  -1.286  15.135 -13.966
  263   2HD   LYS  85          2HD       LYS  85  -2.237  13.677 -13.686
  264   1HE   LYS  85          1HE       LYS  85  -1.492  13.780 -11.254
  265   2HE   LYS  85          2HE       LYS  85  -0.847  15.396 -11.610
  266   1HZ   LYS  85          1HZ       LYS  85  -3.624  14.541 -12.228
  267   2HZ   LYS  85          2HZ       LYS  85  -3.194  15.414 -10.836
  268   3HZ   LYS  85          3HZ       LYS  85  -2.979  16.106 -12.370
  269    H    ASP  86           H        ASP  86   1.210  16.428 -16.876
  270    HA   ASP  86           HA       ASP  86   4.014  17.280 -16.619
  271   1HB   ASP  86          1HB       ASP  86   1.590  18.037 -18.243
  272   2HB   ASP  86          2HB       ASP  86   3.033  19.050 -18.276
  273    H    ASP  87           H        ASP  87   0.859  18.952 -16.243
  274    HA   ASP  87           HA       ASP  87   1.784  20.306 -13.799
  275   1HB   ASP  87          1HB       ASP  87   2.762  21.485 -15.855
  276   2HB   ASP  87          2HB       ASP  87   1.106  21.942 -16.254
  277    H    GLY  88           H        GLY  88  -0.598  20.849 -16.428
  278   1HA   GLY  88          1HA       GLY  88  -2.791  20.369 -14.479
  279   2HA   GLY  88          2HA       GLY  88  -2.764  21.912 -15.335
  280    H    SER  89           H        SER  89  -2.857  21.823 -17.723
  281    HA   SER  89           HA       SER  89  -4.219  19.341 -18.724
  282   1HB   SER  89          1HB       SER  89  -4.789  22.262 -19.316
  283   2HB   SER  89          2HB       SER  89  -5.647  20.898 -20.028
  284    HG   SER  89           HG       SER  89  -6.826  20.890 -18.299
  285    H    ALA  90           H        ALA  90  -2.516  18.473 -19.933
  286    HA   ALA  90           HA       ALA  90  -0.926  18.281 -21.672
  287   1HB   ALA  90          1HB       ALA  90  -3.265  19.228 -22.643
  288   2HB   ALA  90          2HB       ALA  90  -2.205  20.564 -23.093
  289   3HB   ALA  90          3HB       ALA  90  -1.862  18.935 -23.671
  Start of MODEL   12
    1   1H    SER  45          1H        SER  45  -1.124 -21.145  -7.032
    2   2H    SER  45          2H        SER  45  -0.876 -22.207  -8.335
    3   3H    SER  45          3H        SER  45   0.455 -21.520  -7.538
    4    HA   SER  45           HA       SER  45  -0.058 -19.347  -8.366
    5   1HB   SER  45          1HB       SER  45   1.177 -21.061  -9.734
    6   2HB   SER  45          2HB       SER  45  -0.347 -21.466 -10.520
    7    HG   SER  45           HG       SER  45  -0.373 -19.534 -11.490
    8    H    ASP  46           H        ASP  46  -1.559 -17.930  -9.370
    9    HA   ASP  46           HA       ASP  46  -4.077 -18.871 -10.508
   10   1HB   ASP  46          1HB       ASP  46  -4.335 -19.245  -8.044
   11   2HB   ASP  46          2HB       ASP  46  -4.079 -17.518  -7.791
   12    H    GLY  47           H        GLY  47  -4.679 -17.305 -11.949
   13   1HA   GLY  47          1HA       GLY  47  -5.084 -15.143 -12.817
   14   2HA   GLY  47          2HA       GLY  47  -4.487 -14.462 -11.302
   15    H    ASP  48           H        ASP  48  -3.838 -14.028 -14.301
   16    HA   ASP  48           HA       ASP  48  -0.865 -14.037 -13.933
   17   1HB   ASP  48          1HB       ASP  48  -1.629 -15.955 -15.318
   18   2HB   ASP  48          2HB       ASP  48  -2.427 -14.829 -16.415
   19    H    GLN  49           H        GLN  49  -2.334 -11.768 -13.413
   20    HA   GLN  49           HA       GLN  49  -2.840 -10.080 -15.702
   21   1HB   GLN  49          1HB       GLN  49  -2.233  -9.487 -12.785
   22   2HB   GLN  49          2HB       GLN  49  -2.874  -8.311 -13.933
   23   1HG   GLN  49          1HG       GLN  49  -4.227 -10.936 -13.249
   24   2HG   GLN  49          2HG       GLN  49  -4.654  -9.381 -12.534
   25   1HE2  GLN  49          2HE2      GLN  49  -5.494 -11.465 -15.032
   26   2HE2  GLN  49          1HE2      GLN  49  -6.239 -10.346 -16.069
   27    H    CYS  50           H        CYS  50  -0.033 -10.529 -13.560
   28    HA   CYS  50           HA       CYS  50   1.545  -8.505 -15.044
   29   1HB   CYS  50          1HB       CYS  50   1.495  -8.819 -12.522
   30   2HB   CYS  50          2HB       CYS  50   2.342 -10.346 -12.772
   31    H    ALA  51           H        ALA  51   0.833 -10.648 -16.713
   32    HA   ALA  51           HA       ALA  51   3.004 -12.634 -16.757
   33   1HB   ALA  51          1HB       ALA  51   0.384 -12.580 -17.513
   34   2HB   ALA  51          2HB       ALA  51   1.173 -12.288 -19.063
   35   3HB   ALA  51          3HB       ALA  51   1.554 -13.742 -18.141
   36    H    SER  52           H        SER  52   2.198  -9.602 -18.356
   37    HA   SER  52           HA       SER  52   4.729  -9.836 -19.954
   38   1HB   SER  52          1HB       SER  52   2.287 -10.011 -21.020
   39   2HB   SER  52          2HB       SER  52   2.385  -8.254 -20.930
   40    HG   SER  52           HG       SER  52   3.425  -9.803 -22.754
   41    H    SER  53           H        SER  53   3.991  -8.465 -17.308
   42    HA   SER  53           HA       SER  53   4.306  -6.383 -16.239
   43   1HB   SER  53          1HB       SER  53   6.424  -5.432 -16.844
   44   2HB   SER  53          2HB       SER  53   6.545  -7.160 -17.154
   45    HG   SER  53           HG       SER  53   6.730  -6.760 -19.212
   46    HA   PRO  54           HA       PRO  54   1.856  -4.020 -19.415
   47   1HB   PRO  54          1HB       PRO  54  -0.310  -3.516 -17.822
   48   2HB   PRO  54          2HB       PRO  54  -0.155  -4.980 -18.814
   49   1HG   PRO  54          1HG       PRO  54   0.311  -4.612 -15.900
   50   2HG   PRO  54          2HG       PRO  54  -0.418  -5.973 -16.764
   51   1HD   PRO  54          1HD       PRO  54   2.146  -5.976 -15.831
   52   2HD   PRO  54          2HD       PRO  54   1.604  -6.933 -17.226
   53    H    CYS  55           H        CYS  55   3.239  -3.435 -16.344
   54    HA   CYS  55           HA       CYS  55   2.355  -0.730 -15.858
   55   1HB   CYS  55          1HB       CYS  55   4.905  -2.187 -15.075
   56   2HB   CYS  55          2HB       CYS  55   4.288  -0.725 -14.312
   57    H    GLN  56           H        GLN  56   2.818   0.991 -17.168
   58    HA   GLN  56           HA       GLN  56   5.069   0.869 -19.080
   59   1HB   GLN  56          1HB       GLN  56   2.591   2.434 -18.604
   60   2HB   GLN  56          2HB       GLN  56   3.908   3.309 -19.386
   61   1HG   GLN  56          1HG       GLN  56   2.526   2.278 -21.101
   62   2HG   GLN  56          2HG       GLN  56   4.084   1.451 -21.054
   63   1HE2  GLN  56          2HE2      GLN  56   0.642   1.072 -20.484
   64   2HE2  GLN  56          1HE2      GLN  56   0.693  -0.582 -20.106
   65    H    ASN  57           H        ASN  57   5.954   3.403 -19.273
   66    HA   ASN  57           HA       ASN  57   7.529   4.904 -18.372
   67   1HB   ASN  57          1HB       ASN  57   5.516   4.539 -16.141
   68   2HB   ASN  57          2HB       ASN  57   6.783   5.764 -16.095
   69   1HD2  ASN  57          2HD2      ASN  57   3.587   5.297 -17.019
   70   2HD2  ASN  57          1HD2      ASN  57   3.454   6.553 -18.153
   71    H    GLY  58           H        GLY  58   7.884   1.881 -17.868
   72   1HA   GLY  58          1HA       GLY  58   9.477   0.542 -16.788
   73   2HA   GLY  58          2HA       GLY  58  10.321   2.038 -16.392
   74    H    GLY  59           H        GLY  59   7.064   0.984 -15.420
   75   1HA   GLY  59          1HA       GLY  59   7.755   1.591 -12.612
   76   2HA   GLY  59          2HA       GLY  59   6.142   1.227 -13.223
   77    H    SER  60           H        SER  60   6.924  -0.047 -10.933
   78    HA   SER  60           HA       SER  60   8.023  -2.709 -11.622
   79   1HB   SER  60          1HB       SER  60   7.701  -1.000  -9.298
   80   2HB   SER  60          2HB       SER  60   7.096  -2.618  -8.955
   81    HG   SER  60           HG       SER  60   9.596  -1.816  -9.042
   82    H    CYS  61           H        CYS  61   6.765  -4.547 -11.826
   83    HA   CYS  61           HA       CYS  61   3.806  -4.196 -11.713
   84   1HB   CYS  61          1HB       CYS  61   4.946  -4.942 -13.798
   85   2HB   CYS  61          2HB       CYS  61   5.564  -6.349 -12.934
   86    H    LYS  62           H        LYS  62   2.717  -5.074 -10.021
   87    HA   LYS  62           HA       LYS  62   3.961  -7.376  -8.545
   88   1HB   LYS  62          1HB       LYS  62   2.978  -4.729  -7.722
   89   2HB   LYS  62          2HB       LYS  62   2.292  -6.044  -6.768
   90   1HG   LYS  62          1HG       LYS  62   5.228  -6.114  -7.310
   91   2HG   LYS  62          2HG       LYS  62   4.640  -4.940  -6.131
   92   1HD   LYS  62          1HD       LYS  62   3.439  -6.789  -4.953
   93   2HD   LYS  62          2HD       LYS  62   4.174  -7.935  -6.077
   94   1HE   LYS  62          1HE       LYS  62   6.254  -7.761  -5.102
   95   2HE   LYS  62          2HE       LYS  62   6.027  -6.050  -4.688
   96   1HZ   LYS  62          1HZ       LYS  62   4.399  -6.706  -3.022
   97   2HZ   LYS  62          2HZ       LYS  62   4.641  -8.345  -3.401
   98   3HZ   LYS  62          3HZ       LYS  62   5.897  -7.436  -2.706
   99    H    ASP  63           H        ASP  63   2.496  -9.020  -7.901
  100    HA   ASP  63           HA       ASP  63  -0.071  -9.066  -9.383
  101   1HB   ASP  63          1HB       ASP  63  -0.003 -11.464  -8.746
  102   2HB   ASP  63          2HB       ASP  63   1.506 -10.956  -9.502
  103    H    GLN  64           H        GLN  64  -1.993  -8.652  -8.386
  104    HA   GLN  64           HA       GLN  64  -2.074  -8.672  -5.387
  105   1HB   GLN  64          1HB       GLN  64  -3.342  -6.988  -7.541
  106   2HB   GLN  64          2HB       GLN  64  -4.069  -7.071  -5.936
  107   1HG   GLN  64          1HG       GLN  64  -1.173  -6.346  -6.457
  108   2HG   GLN  64          2HG       GLN  64  -2.459  -5.167  -6.196
  109   1HE2  GLN  64          2HE2      GLN  64  -0.136  -7.082  -4.587
  110   2HE2  GLN  64          1HE2      GLN  64  -0.752  -6.928  -3.013
  111    H    LEU  65           H        LEU  65  -2.474 -11.091  -6.784
  112    HA   LEU  65           HA       LEU  65  -3.981 -12.884  -6.954
  113   1HB   LEU  65          1HB       LEU  65  -4.789 -11.160  -4.723
  114   2HB   LEU  65          2HB       LEU  65  -6.130 -12.108  -5.360
  115    HG   LEU  65           HG       LEU  65  -4.959 -13.335  -3.571
  116   1HD1  LEU  65          1HD1      LEU  65  -5.820 -14.376  -5.880
  117   2HD1  LEU  65          2HD1      LEU  65  -4.114 -14.796  -6.032
  118   3HD1  LEU  65          3HD1      LEU  65  -5.043 -15.370  -4.647
  119   1HD2  LEU  65          1HD2      LEU  65  -2.693 -12.167  -4.416
  120   2HD2  LEU  65          2HD2      LEU  65  -2.682 -13.690  -3.524
  121   3HD2  LEU  65          3HD2      LEU  65  -2.540 -13.696  -5.282
  122    H    GLN  66           H        GLN  66  -6.583 -10.508  -6.467
  123    HA   GLN  66           HA       GLN  66  -8.133 -11.404  -8.678
  124   1HB   GLN  66          1HB       GLN  66  -8.447  -9.742  -6.535
  125   2HB   GLN  66          2HB       GLN  66  -8.380  -8.568  -7.849
  126   1HG   GLN  66          1HG       GLN  66 -10.695  -9.222  -7.529
  127   2HG   GLN  66          2HG       GLN  66 -10.130  -9.906  -9.053
  128   1HE2  GLN  66          2HE2      GLN  66 -11.302 -11.864  -9.152
  129   2HE2  GLN  66          1HE2      GLN  66 -11.254 -13.058  -7.946
  130    H    SER  67           H        SER  67  -6.519  -8.210  -8.469
  131    HA   SER  67           HA       SER  67  -6.099  -8.333 -11.437
  132   1HB   SER  67          1HB       SER  67  -6.392  -5.896  -9.658
  133   2HB   SER  67          2HB       SER  67  -6.482  -5.951 -11.416
  134    HG   SER  67           HG       SER  67  -8.561  -5.996 -10.780
  135    H    TYR  68           H        TYR  68  -4.434  -5.947 -11.396
  136    HA   TYR  68           HA       TYR  68  -1.996  -6.998  -9.998
  137   1HB   TYR  68          1HB       TYR  68  -0.752  -6.175 -11.987
  138   2HB   TYR  68          2HB       TYR  68  -1.958  -7.380 -12.428
  139    HD1  TYR  68           HD1      TYR  68  -4.025  -6.728 -13.604
  140    HD2  TYR  68           HD2      TYR  68  -1.016  -3.833 -12.598
  141    HE1  TYR  68           HE1      TYR  68  -5.066  -5.105 -15.161
  142    HE2  TYR  68           HE2      TYR  68  -2.057  -2.210 -14.155
  143    HH   TYR  68           HH       TYR  68  -4.092  -2.979 -16.520
  144    H    ILE  69           H        ILE  69  -0.283  -5.150  -9.882
  145    HA   ILE  69           HA       ILE  69  -1.523  -2.473  -9.475
  146    HB   ILE  69           HB       ILE  69  -1.687  -3.741  -7.362
  147   1HG1  ILE  69          1HG1      ILE  69   0.580  -1.898  -6.794
  148   2HG1  ILE  69          2HG1      ILE  69  -0.809  -1.209  -7.635
  149   1HG2  ILE  69          1HG2      ILE  69   0.478  -5.094  -8.041
  150   2HG2  ILE  69          2HG2      ILE  69   1.304  -3.813  -7.154
  151   3HG2  ILE  69          3HG2      ILE  69   0.104  -4.817  -6.341
  152   1HD1  ILE  69          1HD1      ILE  69  -2.089  -2.638  -5.718
  153   2HD1  ILE  69          2HD1      ILE  69  -0.600  -2.237  -4.860
  154   3HD1  ILE  69          3HD1      ILE  69  -1.616  -0.951  -5.510
  155    H    CYS  70           H        CYS  70  -0.239  -1.157 -10.698
  156    HA   CYS  70           HA       CYS  70   2.590  -1.855 -11.197
  157   1HB   CYS  70          1HB       CYS  70   0.615   0.197 -12.208
  158   2HB   CYS  70          2HB       CYS  70   2.319   0.261 -12.658
  159    H    PHE  71           H        PHE  71   4.291  -0.839 -10.220
  160    HA   PHE  71           HA       PHE  71   3.711   1.367  -8.288
  161   1HB   PHE  71          1HB       PHE  71   5.839  -0.745  -8.630
  162   2HB   PHE  71          2HB       PHE  71   6.136   0.659  -7.605
  163    HD1  PHE  71           HD1      PHE  71   4.588   1.138  -5.674
  164    HD2  PHE  71           HD2      PHE  71   4.413  -2.521  -7.918
  165    HE1  PHE  71           HE1      PHE  71   3.289   0.078  -3.846
  166    HE2  PHE  71           HE2      PHE  71   3.115  -3.581  -6.091
  167    HZ   PHE  71           HZ       PHE  71   2.553  -2.281  -4.054
  168    H    CYS  72           H        CYS  72   3.558   2.756 -10.336
  169    HA   CYS  72           HA       CYS  72   6.097   3.316 -11.729
  170   1HB   CYS  72          1HB       CYS  72   3.276   4.417 -11.880
  171   2HB   CYS  72          2HB       CYS  72   4.574   4.885 -12.979
  172    H    LEU  73           H        LEU  73   6.240   5.904 -12.127
  173    HA   LEU  73           HA       LEU  73   7.287   7.068  -9.745
  174   1HB   LEU  73          1HB       LEU  73   6.678   7.811 -12.536
  175   2HB   LEU  73          2HB       LEU  73   6.716   9.177 -11.421
  176    HG   LEU  73           HG       LEU  73   8.951   8.386 -10.620
  177   1HD1  LEU  73          1HD1      LEU  73   8.675   6.453 -12.944
  178   2HD1  LEU  73          2HD1      LEU  73  10.130   6.689 -11.976
  179   3HD1  LEU  73          3HD1      LEU  73   8.682   6.008 -11.237
  180   1HD2  LEU  73          1HD2      LEU  73   8.751  10.114 -12.386
  181   2HD2  LEU  73          2HD2      LEU  73  10.184   9.112 -12.624
  182   3HD2  LEU  73          3HD2      LEU  73   8.747   8.847 -13.612
  183    HA   PRO  74           HA       PRO  74   3.717   8.616  -7.684
  184   1HB   PRO  74          1HB       PRO  74   4.629  10.993  -6.663
  185   2HB   PRO  74          2HB       PRO  74   5.076   9.408  -5.998
  186   1HG   PRO  74          1HG       PRO  74   6.597  11.170  -7.866
  187   2HG   PRO  74          2HG       PRO  74   7.174  10.247  -6.469
  188   1HD   PRO  74          1HD       PRO  74   7.521   9.381  -8.996
  189   2HD   PRO  74          2HD       PRO  74   7.249   8.260  -7.642
  190    H    ALA  75           H        ALA  75   5.156  10.383 -10.290
  191    HA   ALA  75           HA       ALA  75   2.900  12.324 -10.406
  192   1HB   ALA  75          1HB       ALA  75   5.338  12.973 -10.620
  193   2HB   ALA  75          2HB       ALA  75   5.377  12.070 -12.134
  194   3HB   ALA  75          3HB       ALA  75   4.332  13.481 -11.976
  195    H    PHE  76           H        PHE  76   2.911   9.264 -11.174
  196    HA   PHE  76           HA       PHE  76   1.810   9.656 -13.941
  197   1HB   PHE  76          1HB       PHE  76   3.397   7.421 -12.658
  198   2HB   PHE  76          2HB       PHE  76   2.564   7.226 -14.201
  199    HD1  PHE  76           HD1      PHE  76   4.945   9.546 -12.459
  200    HD2  PHE  76           HD2      PHE  76   3.673   7.807 -16.175
  201    HE1  PHE  76           HE1      PHE  76   6.841  10.641 -13.618
  202    HE2  PHE  76           HE2      PHE  76   5.576   8.901 -17.334
  203    HZ   PHE  76           HZ       PHE  76   7.160  10.315 -16.052
  204    H    GLU  77           H        GLU  77  -0.109   8.462 -14.429
  205    HA   GLU  77           HA       GLU  77  -1.401   6.963 -12.195
  206   1HB   GLU  77          1HB       GLU  77  -1.901   9.595 -12.606
  207   2HB   GLU  77          2HB       GLU  77  -3.080   8.891 -13.713
  208   1HG   GLU  77          1HG       GLU  77  -4.361   8.824 -11.810
  209   2HG   GLU  77          2HG       GLU  77  -3.497   7.304 -11.573
  210    H    GLY  78           H        GLY  78  -3.549   5.988 -13.076
  211   1HA   GLY  78          1HA       GLY  78  -4.770   5.293 -15.139
  212   2HA   GLY  78          2HA       GLY  78  -3.201   5.191 -15.940
  213    H    ARG  79           H        ARG  79  -5.098   3.021 -15.729
  214    HA   ARG  79           HA       ARG  79  -4.550   1.156 -13.647
  215   1HB   ARG  79          1HB       ARG  79  -6.186   1.293 -15.801
  216   2HB   ARG  79          2HB       ARG  79  -4.982   0.162 -16.421
  217   1HG   ARG  79          1HG       ARG  79  -5.282  -1.045 -14.128
  218   2HG   ARG  79          2HG       ARG  79  -6.789  -0.134 -14.030
  219   1HD   ARG  79          1HD       ARG  79  -6.474  -1.362 -16.664
  220   2HD   ARG  79          2HD       ARG  79  -6.436  -2.568 -15.366
  221    HE   ARG  79           HE       ARG  79  -8.632  -1.882 -14.680
  222   1HH1  ARG  79          1HH1      ARG  79  -7.369   0.321 -17.070
  223   2HH1  ARG  79          2HH1      ARG  79  -8.938   0.862 -17.551
  224   1HH2  ARG  79          1HH2      ARG  79 -10.658  -1.252 -15.426
  225   2HH2  ARG  79          2HH2      ARG  79 -10.781  -0.015 -16.632
  226    H    ASN  80           H        ASN  80  -2.967   1.612 -16.812
  227    HA   ASN  80           HA       ASN  80  -0.742  -0.181 -15.899
  228   1HB   ASN  80          1HB       ASN  80  -1.893   0.541 -18.606
  229   2HB   ASN  80          2HB       ASN  80  -0.362  -0.316 -18.428
  230   1HD2  ASN  80          2HD2      ASN  80  -3.203  -1.178 -19.402
  231   2HD2  ASN  80          1HD2      ASN  80  -3.488  -2.612 -18.539
  232    H    CYS  81           H        CYS  81  -1.047   2.687 -15.244
  233    HA   CYS  81           HA       CYS  81   0.237   4.663 -15.224
  234   1HB   CYS  81          1HB       CYS  81   2.279   2.653 -16.220
  235   2HB   CYS  81          2HB       CYS  81   2.668   4.251 -15.592
  236    H    GLU  82           H        GLU  82  -1.380   4.487 -17.475
  237    HA   GLU  82           HA       GLU  82   0.373   5.279 -19.766
  238   1HB   GLU  82          1HB       GLU  82  -1.688   4.837 -21.092
  239   2HB   GLU  82          2HB       GLU  82  -1.217   3.439 -20.128
  240   1HG   GLU  82          1HG       GLU  82  -2.933   3.815 -18.535
  241   2HG   GLU  82          2HG       GLU  82  -3.205   5.466 -19.095
  242    H    THR  83           H        THR  83  -0.590   6.957 -17.316
  243    HA   THR  83           HA       THR  83  -1.501   9.290 -18.939
  244    HB   THR  83           HB       THR  83  -2.745   8.296 -16.354
  245    HG1  THR  83           HG1      THR  83  -4.447   7.705 -17.646
  246   1HG2  THR  83          1HG2      THR  83  -2.697  10.809 -16.800
  247   2HG2  THR  83          2HG2      THR  83  -3.726  10.484 -18.195
  248   3HG2  THR  83          3HG2      THR  83  -4.295  10.099 -16.569
  249    H    HIS  84           H        HIS  84  -0.063  10.910 -18.507
  250    HA   HIS  84           HA       HIS  84   1.628  10.839 -16.099
  251   1HB   HIS  84          1HB       HIS  84   2.238  11.456 -18.540
  252   2HB   HIS  84          2HB       HIS  84   1.463  13.004 -18.200
  253    HD1  HIS  84           HD1      HIS  84   4.667  12.215 -18.558
  254    HD2  HIS  84           HD2      HIS  84   2.652  13.375 -15.098
  255    HE1  HIS  84           HE1      HIS  84   6.422  13.132 -16.980
  256    H    LYS  85           H        LYS  85   1.137  11.936 -14.245
  257    HA   LYS  85           HA       LYS  85  -1.288  13.504 -13.979
  258   1HB   LYS  85          1HB       LYS  85   1.139  13.004 -12.231
  259   2HB   LYS  85          2HB       LYS  85  -0.278  13.897 -11.677
  260   1HG   LYS  85          1HG       LYS  85  -0.790  11.263 -12.961
  261   2HG   LYS  85          2HG       LYS  85  -0.039  11.230 -11.365
  262   1HD   LYS  85          1HD       LYS  85  -2.221  11.338 -10.672
  263   2HD   LYS  85          2HD       LYS  85  -1.961  13.068 -10.904
  264   1HE   LYS  85          1HE       LYS  85  -3.005  13.030 -13.066
  265   2HE   LYS  85          2HE       LYS  85  -3.009  11.255 -13.101
  266   1HZ   LYS  85          1HZ       LYS  85  -4.412  11.257 -11.128
  267   2HZ   LYS  85          2HZ       LYS  85  -4.429  12.953 -11.116
  268   3HZ   LYS  85          3HZ       LYS  85  -5.164  12.107 -12.393
  269    H    ASP  86           H        ASP  86  -1.451  15.779 -13.602
  270    HA   ASP  86           HA       ASP  86   0.931  17.495 -13.814
  271   1HB   ASP  86          1HB       ASP  86   0.099  18.573 -15.901
  272   2HB   ASP  86          2HB       ASP  86   0.476  16.869 -16.147
  273    H    ASP  87           H        ASP  87  -0.711  17.424 -11.661
  274    HA   ASP  87           HA       ASP  87  -2.932  19.334 -11.891
  275   1HB   ASP  87          1HB       ASP  87  -1.564  17.806  -9.667
  276   2HB   ASP  87          2HB       ASP  87  -2.868  18.948  -9.345
  277    H    GLY  88           H        GLY  88  -0.003  19.308  -9.821
  278   1HA   GLY  88          1HA       GLY  88   1.584  21.108  -9.614
  279   2HA   GLY  88          2HA       GLY  88   0.452  22.169 -10.454
  280    H    SER  89           H        SER  89  -0.283  23.723  -9.107
  281    HA   SER  89           HA       SER  89  -0.937  22.962  -6.276
  282   1HB   SER  89          1HB       SER  89   1.138  24.482  -6.963
  283   2HB   SER  89          2HB       SER  89  -0.100  25.730  -7.066
  284    HG   SER  89           HG       SER  89   1.073  24.731  -4.903
  285    H    ALA  90           H        ALA  90  -2.591  24.488  -5.309
  286    HA   ALA  90           HA       ALA  90  -4.764  25.413  -5.366
  287   1HB   ALA  90          1HB       ALA  90  -3.233  26.655  -7.639
  288   2HB   ALA  90          2HB       ALA  90  -4.930  27.075  -7.402
  289   3HB   ALA  90          3HB       ALA  90  -3.757  27.389  -6.122
  Start of MODEL   13
    1   1H    SER  45          1H        SER  45   1.651 -21.023 -11.800
    2   2H    SER  45          2H        SER  45   1.159 -20.822 -13.411
    3   3H    SER  45          3H        SER  45   2.730 -20.376 -12.943
    4    HA   SER  45           HA       SER  45   1.945 -18.545 -11.671
    5   1HB   SER  45          1HB       SER  45   0.331 -18.675 -14.226
    6   2HB   SER  45          2HB       SER  45   1.094 -17.262 -13.504
    7    HG   SER  45           HG       SER  45   3.121 -18.390 -13.853
    8    H    ASP  46           H        ASP  46  -0.428 -17.163 -11.948
    9    HA   ASP  46           HA       ASP  46  -2.673 -18.925 -11.152
   10   1HB   ASP  46          1HB       ASP  46  -2.896 -17.724  -8.979
   11   2HB   ASP  46          2HB       ASP  46  -1.366 -18.590  -9.097
   12    H    GLY  47           H        GLY  47  -2.593 -17.391 -13.438
   13   1HA   GLY  47          1HA       GLY  47  -4.717 -16.086 -14.035
   14   2HA   GLY  47          2HA       GLY  47  -4.212 -14.966 -12.769
   15    H    ASP  48           H        ASP  48  -4.577 -14.121 -15.434
   16    HA   ASP  48           HA       ASP  48  -1.785 -13.757 -16.458
   17   1HB   ASP  48          1HB       ASP  48  -3.501 -14.790 -17.936
   18   2HB   ASP  48          2HB       ASP  48  -4.492 -13.341 -17.771
   19    H    GLN  49           H        GLN  49  -2.369 -12.203 -14.241
   20    HA   GLN  49           HA       GLN  49  -3.401  -9.576 -15.107
   21   1HB   GLN  49          1HB       GLN  49  -2.240 -10.669 -12.524
   22   2HB   GLN  49          2HB       GLN  49  -2.919  -9.050 -12.696
   23   1HG   GLN  49          1HG       GLN  49  -4.800 -10.170 -11.960
   24   2HG   GLN  49          2HG       GLN  49  -4.980 -10.412 -13.698
   25   1HE2  GLN  49          2HE2      GLN  49  -3.310 -12.007 -10.914
   26   2HE2  GLN  49          1HE2      GLN  49  -3.639 -13.586 -11.439
   27    H    CYS  50           H        CYS  50  -0.334 -10.820 -13.723
   28    HA   CYS  50           HA       CYS  50   1.085  -8.479 -14.949
   29   1HB   CYS  50          1HB       CYS  50   1.051  -8.745 -12.451
   30   2HB   CYS  50          2HB       CYS  50   1.882 -10.290 -12.646
   31    H    ALA  51           H        ALA  51   0.567 -10.552 -16.702
   32    HA   ALA  51           HA       ALA  51   2.857 -12.424 -16.719
   33   1HB   ALA  51          1HB       ALA  51   0.256 -12.618 -17.434
   34   2HB   ALA  51          2HB       ALA  51   0.954 -12.182 -18.994
   35   3HB   ALA  51          3HB       ALA  51   1.515 -13.625 -18.149
   36    H    SER  52           H        SER  52   1.488  -9.974 -18.962
   37    HA   SER  52           HA       SER  52   4.075  -9.876 -20.423
   38   1HB   SER  52          1HB       SER  52   1.249  -8.932 -20.869
   39   2HB   SER  52          2HB       SER  52   2.562  -8.320 -21.870
   40    HG   SER  52           HG       SER  52   2.930 -10.330 -22.628
   41    H    SER  53           H        SER  53   3.597  -8.658 -17.656
   42    HA   SER  53           HA       SER  53   4.022  -6.645 -16.500
   43   1HB   SER  53          1HB       SER  53   6.079  -5.656 -17.245
   44   2HB   SER  53          2HB       SER  53   6.162  -7.365 -17.656
   45    HG   SER  53           HG       SER  53   6.381  -5.280 -19.262
   46    HA   PRO  54           HA       PRO  54   1.293  -4.088 -19.260
   47   1HB   PRO  54          1HB       PRO  54  -0.664  -3.626 -17.404
   48   2HB   PRO  54          2HB       PRO  54  -0.656  -5.046 -18.469
   49   1HG   PRO  54          1HG       PRO  54   0.157  -4.816 -15.617
   50   2HG   PRO  54          2HG       PRO  54  -0.699  -6.125 -16.445
   51   1HD   PRO  54          1HD       PRO  54   1.956  -6.215 -15.824
   52   2HD   PRO  54          2HD       PRO  54   1.235  -7.095 -17.189
   53    H    CYS  55           H        CYS  55   2.553  -3.726 -16.005
   54    HA   CYS  55           HA       CYS  55   2.009  -0.971 -15.517
   55   1HB   CYS  55          1HB       CYS  55   4.406  -2.680 -14.761
   56   2HB   CYS  55          2HB       CYS  55   3.937  -1.178 -13.967
   57    H    GLN  56           H        GLN  56   2.797   0.848 -16.511
   58    HA   GLN  56           HA       GLN  56   5.191   0.558 -18.299
   59   1HB   GLN  56          1HB       GLN  56   2.645   1.217 -18.948
   60   2HB   GLN  56          2HB       GLN  56   3.281   2.820 -18.580
   61   1HG   GLN  56          1HG       GLN  56   3.951   2.736 -20.768
   62   2HG   GLN  56          2HG       GLN  56   5.319   1.863 -20.077
   63   1HE2  GLN  56          2HE2      GLN  56   1.951   1.105 -21.163
   64   2HE2  GLN  56          1HE2      GLN  56   2.373  -0.353 -21.922
   65    H    ASN  57           H        ASN  57   5.681   3.266 -18.704
   66    HA   ASN  57           HA       ASN  57   6.917   5.049 -17.779
   67   1HB   ASN  57          1HB       ASN  57   4.685   4.482 -15.836
   68   2HB   ASN  57          2HB       ASN  57   5.836   5.781 -15.517
   69   1HD2  ASN  57          2HD2      ASN  57   2.972   6.139 -16.162
   70   2HD2  ASN  57          1HD2      ASN  57   2.912   7.033 -17.603
   71    H    GLY  58           H        GLY  58   7.882   2.289 -17.214
   72   1HA   GLY  58          1HA       GLY  58   9.573   1.286 -15.935
   73   2HA   GLY  58          2HA       GLY  58   9.964   2.907 -15.360
   74    H    GLY  59           H        GLY  59   6.910   1.131 -14.963
   75   1HA   GLY  59          1HA       GLY  59   7.137   1.561 -12.031
   76   2HA   GLY  59          2HA       GLY  59   5.657   1.150 -12.896
   77    H    SER  60           H        SER  60   6.638  -0.232 -10.573
   78    HA   SER  60           HA       SER  60   7.751  -2.797 -11.552
   79   1HB   SER  60          1HB       SER  60   8.077  -1.329  -9.290
   80   2HB   SER  60          2HB       SER  60   6.809  -2.429  -8.757
   81    HG   SER  60           HG       SER  60   9.215  -3.228 -10.036
   82    H    CYS  61           H        CYS  61   6.489  -4.596 -11.912
   83    HA   CYS  61           HA       CYS  61   3.555  -4.360 -11.439
   84   1HB   CYS  61          1HB       CYS  61   4.485  -4.835 -13.707
   85   2HB   CYS  61          2HB       CYS  61   5.201  -6.318 -13.076
   86    H    LYS  62           H        LYS  62   2.764  -5.368  -9.651
   87    HA   LYS  62           HA       LYS  62   4.179  -7.819  -8.642
   88   1HB   LYS  62          1HB       LYS  62   3.167  -5.327  -7.383
   89   2HB   LYS  62          2HB       LYS  62   2.866  -6.812  -6.481
   90   1HG   LYS  62          1HG       LYS  62   5.597  -6.369  -7.626
   91   2HG   LYS  62          2HG       LYS  62   5.141  -5.482  -6.171
   92   1HD   LYS  62          1HD       LYS  62   4.275  -7.920  -5.448
   93   2HD   LYS  62          2HD       LYS  62   5.561  -8.406  -6.554
   94   1HE   LYS  62          1HE       LYS  62   7.230  -7.562  -5.199
   95   2HE   LYS  62          2HE       LYS  62   6.202  -6.257  -4.572
   96   1HZ   LYS  62          1HZ       LYS  62   5.833  -9.145  -3.975
   97   2HZ   LYS  62          2HZ       LYS  62   6.560  -8.030  -2.923
   98   3HZ   LYS  62          3HZ       LYS  62   4.921  -7.861  -3.338
   99    H    ASP  63           H        ASP  63   2.890  -9.621  -8.389
  100    HA   ASP  63           HA       ASP  63   0.139  -9.567  -9.369
  101   1HB   ASP  63          1HB       ASP  63   0.303 -12.005  -8.905
  102   2HB   ASP  63          2HB       ASP  63   1.703 -11.421  -9.801
  103    H    GLN  64           H        GLN  64  -1.521  -8.902  -8.076
  104    HA   GLN  64           HA       GLN  64  -1.296  -9.253  -5.117
  105   1HB   GLN  64          1HB       GLN  64  -2.813  -7.453  -6.999
  106   2HB   GLN  64          2HB       GLN  64  -3.336  -7.628  -5.323
  107   1HG   GLN  64          1HG       GLN  64  -0.470  -6.986  -6.017
  108   2HG   GLN  64          2HG       GLN  64  -1.682  -5.717  -5.845
  109   1HE2  GLN  64          2HE2      GLN  64   0.674  -7.236  -4.096
  110   2HE2  GLN  64          1HE2      GLN  64   0.013  -7.104  -2.539
  111    H    LEU  65           H        LEU  65  -1.857 -11.611  -6.499
  112    HA   LEU  65           HA       LEU  65  -3.385 -13.396  -6.569
  113   1HB   LEU  65          1HB       LEU  65  -3.988 -11.714  -4.246
  114   2HB   LEU  65          2HB       LEU  65  -5.396 -12.617  -4.796
  115    HG   LEU  65           HG       LEU  65  -4.129 -13.916  -3.137
  116   1HD1  LEU  65          1HD1      LEU  65  -5.176 -14.895  -5.380
  117   2HD1  LEU  65          2HD1      LEU  65  -3.493 -15.308  -5.705
  118   3HD1  LEU  65          3HD1      LEU  65  -4.289 -15.929  -4.260
  119   1HD2  LEU  65          1HD2      LEU  65  -1.875 -13.101  -4.875
  120   2HD2  LEU  65          2HD2      LEU  65  -1.894 -13.459  -3.150
  121   3HD2  LEU  65          3HD2      LEU  65  -1.821 -14.774  -4.322
  122    H    GLN  66           H        GLN  66  -5.908 -10.995  -5.838
  123    HA   GLN  66           HA       GLN  66  -7.646 -11.830  -7.933
  124   1HB   GLN  66          1HB       GLN  66  -8.254 -10.547  -5.886
  125   2HB   GLN  66          2HB       GLN  66  -7.427  -9.137  -6.546
  126   1HG   GLN  66          1HG       GLN  66  -8.948  -9.274  -8.549
  127   2HG   GLN  66          2HG       GLN  66  -9.848 -10.537  -7.711
  128   1HE2  GLN  66          2HE2      GLN  66 -11.682  -9.675  -6.740
  129   2HE2  GLN  66          1HE2      GLN  66 -11.772  -8.150  -5.999
  130    H    SER  67           H        SER  67  -5.940  -8.678  -7.797
  131    HA   SER  67           HA       SER  67  -5.669  -8.803 -10.785
  132   1HB   SER  67          1HB       SER  67  -7.382  -7.213  -9.866
  133   2HB   SER  67          2HB       SER  67  -6.092  -6.389  -8.994
  134    HG   SER  67           HG       SER  67  -6.836  -6.153 -11.565
  135    H    TYR  68           H        TYR  68  -4.081  -6.513 -11.055
  136    HA   TYR  68           HA       TYR  68  -1.557  -7.350  -9.666
  137   1HB   TYR  68          1HB       TYR  68  -0.463  -6.394 -11.698
  138   2HB   TYR  68          2HB       TYR  68  -1.588  -7.692 -12.095
  139    HD1  TYR  68           HD1      TYR  68  -1.269  -3.978 -11.898
  140    HD2  TYR  68           HD2      TYR  68  -3.439  -7.308 -13.527
  141    HE1  TYR  68           HE1      TYR  68  -2.527  -2.435 -13.377
  142    HE2  TYR  68           HE2      TYR  68  -4.697  -5.766 -15.005
  143    HH   TYR  68           HH       TYR  68  -4.078  -3.268 -16.007
  144    H    ILE  69           H        ILE  69   0.052  -5.410  -9.589
  145    HA   ILE  69           HA       ILE  69  -1.321  -2.815  -9.072
  146    HB   ILE  69           HB       ILE  69  -1.287  -4.118  -6.974
  147   1HG1  ILE  69          1HG1      ILE  69   0.898  -2.135  -6.532
  148   2HG1  ILE  69          2HG1      ILE  69  -0.602  -1.536  -7.243
  149   1HG2  ILE  69          1HG2      ILE  69   1.058  -5.176  -7.893
  150   2HG2  ILE  69          2HG2      ILE  69   1.660  -4.010  -6.717
  151   3HG2  ILE  69          3HG2      ILE  69   0.528  -5.266  -6.214
  152   1HD1  ILE  69          1HD1      ILE  69  -1.627  -3.068  -5.266
  153   2HD1  ILE  69          2HD1      ILE  69  -0.096  -2.612  -4.519
  154   3HD1  ILE  69          3HD1      ILE  69  -1.225  -1.365  -5.045
  155    H    CYS  70           H        CYS  70  -0.185  -1.380 -10.307
  156    HA   CYS  70           HA       CYS  70   2.648  -1.898 -10.987
  157   1HB   CYS  70          1HB       CYS  70   0.608   0.194 -11.805
  158   2HB   CYS  70          2HB       CYS  70   2.232   0.081 -12.482
  159    H    PHE  71           H        PHE  71   4.339  -0.792 -10.081
  160    HA   PHE  71           HA       PHE  71   3.721   1.320  -8.056
  161   1HB   PHE  71          1HB       PHE  71   5.983  -0.617  -8.569
  162   2HB   PHE  71          2HB       PHE  71   6.188   0.748  -7.471
  163    HD1  PHE  71           HD1      PHE  71   4.648   0.989  -5.488
  164    HD2  PHE  71           HD2      PHE  71   4.735  -2.546  -7.926
  165    HE1  PHE  71           HE1      PHE  71   3.490  -0.275  -3.696
  166    HE2  PHE  71           HE2      PHE  71   3.576  -3.810  -6.133
  167    HZ   PHE  71           HZ       PHE  71   2.954  -2.674  -4.019
  168    H    CYS  72           H        CYS  72   3.470   3.017  -9.690
  169    HA   CYS  72           HA       CYS  72   5.913   3.689 -11.269
  170   1HB   CYS  72          1HB       CYS  72   3.037   4.658 -11.343
  171   2HB   CYS  72          2HB       CYS  72   4.298   5.180 -12.461
  172    H    LEU  73           H        LEU  73   6.001   6.265 -11.522
  173    HA   LEU  73           HA       LEU  73   6.646   7.334  -8.879
  174   1HB   LEU  73          1HB       LEU  73   6.606   8.539 -11.669
  175   2HB   LEU  73          2HB       LEU  73   7.355   9.288 -10.261
  176    HG   LEU  73           HG       LEU  73   8.091   6.512 -11.146
  177   1HD1  LEU  73          1HD1      LEU  73   8.438   8.671 -12.790
  178   2HD1  LEU  73          2HD1      LEU  73   9.930   8.713 -11.852
  179   3HD1  LEU  73          3HD1      LEU  73   9.504   7.266 -12.765
  180   1HD2  LEU  73          1HD2      LEU  73   9.183   8.601  -9.287
  181   2HD2  LEU  73          2HD2      LEU  73   8.949   6.876  -9.006
  182   3HD2  LEU  73          3HD2      LEU  73  10.286   7.431 -10.012
  183    HA   PRO  74           HA       PRO  74   2.904   9.532  -8.131
  184   1HB   PRO  74          1HB       PRO  74   3.774  11.930  -7.129
  185   2HB   PRO  74          2HB       PRO  74   3.826  10.415  -6.207
  186   1HG   PRO  74          1HG       PRO  74   6.006  11.813  -7.674
  187   2HG   PRO  74          2HG       PRO  74   6.053  10.971  -6.117
  188   1HD   PRO  74          1HD       PRO  74   6.972   9.876  -8.426
  189   2HD   PRO  74          2HD       PRO  74   6.312   8.908  -7.092
  190    H    ALA  75           H        ALA  75   5.158  10.633 -10.476
  191    HA   ALA  75           HA       ALA  75   3.493  12.922 -11.352
  192   1HB   ALA  75          1HB       ALA  75   6.181  11.741 -11.974
  193   2HB   ALA  75          2HB       ALA  75   5.438  12.836 -13.140
  194   3HB   ALA  75          3HB       ALA  75   5.773  13.390 -11.500
  195    H    PHE  76           H        PHE  76   3.182   9.647 -11.723
  196    HA   PHE  76           HA       PHE  76   2.353   9.854 -14.599
  197   1HB   PHE  76          1HB       PHE  76   3.394   7.646 -12.826
  198   2HB   PHE  76          2HB       PHE  76   2.530   7.267 -14.314
  199    HD1  PHE  76           HD1      PHE  76   3.360   9.207 -16.249
  200    HD2  PHE  76           HD2      PHE  76   5.685   7.381 -13.135
  201    HE1  PHE  76           HE1      PHE  76   5.429   9.617 -17.552
  202    HE2  PHE  76           HE2      PHE  76   7.754   7.792 -14.437
  203    HZ   PHE  76           HZ       PHE  76   7.626   8.910 -16.644
  204    H    GLU  77           H        GLU  77   0.403   8.472 -15.128
  205    HA   GLU  77           HA       GLU  77  -1.448   7.953 -12.864
  206   1HB   GLU  77          1HB       GLU  77  -1.416  10.391 -14.136
  207   2HB   GLU  77          2HB       GLU  77  -2.629   9.519 -15.074
  208   1HG   GLU  77          1HG       GLU  77  -2.805   9.251 -12.118
  209   2HG   GLU  77          2HG       GLU  77  -3.224  10.827 -12.789
  210    H    GLY  78           H        GLY  78  -3.531   6.944 -13.758
  211   1HA   GLY  78          1HA       GLY  78  -4.649   5.768 -15.599
  212   2HA   GLY  78          2HA       GLY  78  -3.068   5.514 -16.338
  213    H    ARG  79           H        ARG  79  -5.024   3.452 -15.695
  214    HA   ARG  79           HA       ARG  79  -4.439   2.019 -13.298
  215   1HB   ARG  79          1HB       ARG  79  -6.343   1.627 -14.857
  216   2HB   ARG  79          2HB       ARG  79  -5.210   0.986 -16.048
  217   1HG   ARG  79          1HG       ARG  79  -4.832  -0.955 -14.853
  218   2HG   ARG  79          2HG       ARG  79  -5.155  -0.184 -13.298
  219   1HD   ARG  79          1HD       ARG  79  -7.095  -1.464 -13.549
  220   2HD   ARG  79          2HD       ARG  79  -7.613   0.046 -14.325
  221    HE   ARG  79           HE       ARG  79  -6.244  -1.664 -16.216
  222   1HH1  ARG  79          1HH1      ARG  79  -9.321  -0.881 -14.777
  223   2HH1  ARG  79          2HH1      ARG  79 -10.215  -1.811 -15.928
  224   1HH2  ARG  79          1HH2      ARG  79  -7.426  -2.973 -17.612
  225   2HH2  ARG  79          2HH2      ARG  79  -9.156  -2.983 -17.519
  226    H    ASN  80           H        ASN  80  -3.018   1.730 -16.566
  227    HA   ASN  80           HA       ASN  80  -0.848   0.006 -15.446
  228   1HB   ASN  80          1HB       ASN  80  -2.053   0.522 -18.163
  229   2HB   ASN  80          2HB       ASN  80  -0.466  -0.234 -18.024
  230   1HD2  ASN  80          2HD2      ASN  80  -3.245  -1.350 -18.822
  231   2HD2  ASN  80          1HD2      ASN  80  -3.419  -2.726 -17.844
  232    H    CYS  81           H        CYS  81  -1.070   3.011 -15.165
  233    HA   CYS  81           HA       CYS  81   0.327   4.901 -15.326
  234   1HB   CYS  81          1HB       CYS  81   2.303   2.653 -15.827
  235   2HB   CYS  81          2HB       CYS  81   2.750   4.306 -15.412
  236    H    GLU  82           H        GLU  82  -1.109   4.664 -17.610
  237    HA   GLU  82           HA       GLU  82   0.872   4.980 -19.841
  238   1HB   GLU  82          1HB       GLU  82  -1.067   4.368 -21.280
  239   2HB   GLU  82          2HB       GLU  82  -0.715   3.120 -20.087
  240   1HG   GLU  82          1HG       GLU  82  -2.546   3.788 -18.704
  241   2HG   GLU  82          2HG       GLU  82  -2.766   5.290 -19.602
  242    H    THR  83           H        THR  83  -0.243   7.012 -17.776
  243    HA   THR  83           HA       THR  83  -1.012   9.073 -19.797
  244    HB   THR  83           HB       THR  83  -2.384   8.536 -17.142
  245    HG1  THR  83           HG1      THR  83  -3.499   7.191 -18.275
  246   1HG2  THR  83          1HG2      THR  83  -2.286  10.932 -17.959
  247   2HG2  THR  83          2HG2      THR  83  -3.198  10.409 -19.375
  248   3HG2  THR  83          3HG2      THR  83  -3.913  10.279 -17.767
  249    H    HIS  84           H        HIS  84   0.983  10.162 -19.568
  250    HA   HIS  84           HA       HIS  84   2.258  10.691 -17.024
  251   1HB   HIS  84          1HB       HIS  84   3.127  10.666 -19.503
  252   2HB   HIS  84          2HB       HIS  84   2.606  12.351 -19.513
  253    HD1  HIS  84           HD1      HIS  84   5.650  11.248 -19.530
  254    HD2  HIS  84           HD2      HIS  84   3.606  12.874 -16.281
  255    HE1  HIS  84           HE1      HIS  84   7.416  12.097 -17.925
  256    H    LYS  85           H        LYS  85   1.820  12.316 -15.582
  257    HA   LYS  85           HA       LYS  85  -0.306  14.284 -16.260
  258   1HB   LYS  85          1HB       LYS  85   1.001  13.205 -13.766
  259   2HB   LYS  85          2HB       LYS  85   0.023  14.672 -13.696
  260   1HG   LYS  85          1HG       LYS  85  -1.018  12.158 -14.999
  261   2HG   LYS  85          2HG       LYS  85  -1.179  12.426 -13.263
  262   1HD   LYS  85          1HD       LYS  85  -2.066  14.812 -14.146
  263   2HD   LYS  85          2HD       LYS  85  -2.524  13.814 -15.526
  264   1HE   LYS  85          1HE       LYS  85  -3.166  12.827 -12.761
  265   2HE   LYS  85          2HE       LYS  85  -4.202  14.061 -13.504
  266   1HZ   LYS  85          1HZ       LYS  85  -3.358  11.589 -14.910
  267   2HZ   LYS  85          2HZ       LYS  85  -4.816  11.704 -14.046
  268   3HZ   LYS  85          3HZ       LYS  85  -4.543  12.702 -15.395
  269    H    ASP  86           H        ASP  86   2.568  14.485 -17.237
  270    HA   ASP  86           HA       ASP  86   4.236  16.142 -17.466
  271   1HB   ASP  86          1HB       ASP  86   2.120  17.309 -18.126
  272   2HB   ASP  86          2HB       ASP  86   1.953  17.871 -16.461
  273    H    ASP  87           H        ASP  87   3.846  14.818 -14.757
  274    HA   ASP  87           HA       ASP  87   4.872  16.979 -12.960
  275   1HB   ASP  87          1HB       ASP  87   3.349  14.428 -12.680
  276   2HB   ASP  87          2HB       ASP  87   4.409  14.878 -11.343
  277    H    GLY  88           H        GLY  88   6.512  15.977 -11.280
  278   1HA   GLY  88          1HA       GLY  88   8.167  13.770 -11.944
  279   2HA   GLY  88          2HA       GLY  88   8.880  15.209 -12.674
  280    H    SER  89           H        SER  89   7.233  14.617  -9.551
  281    HA   SER  89           HA       SER  89   9.198  16.301  -8.152
  282   1HB   SER  89          1HB       SER  89   6.646  16.084  -7.788
  283   2HB   SER  89          2HB       SER  89   7.020  14.574  -6.962
  284    HG   SER  89           HG       SER  89   7.186  17.065  -6.041
  285    H    ALA  90           H        ALA  90   9.399  14.943  -5.711
  286    HA   ALA  90           HA       ALA  90  10.797  13.380  -4.622
  287   1HB   ALA  90          1HB       ALA  90   9.330  11.868  -6.772
  288   2HB   ALA  90          2HB       ALA  90  10.505  11.029  -5.758
  289   3HB   ALA  90          3HB       ALA  90   9.103  11.808  -5.023
  Start of MODEL   14
    1   1H    SER  45          1H        SER  45   2.944 -16.280  -6.827
    2   2H    SER  45          2H        SER  45   3.718 -16.569  -8.308
    3   3H    SER  45          3H        SER  45   4.034 -15.136  -7.450
    4    HA   SER  45           HA       SER  45   1.885 -14.270  -7.885
    5   1HB   SER  45          1HB       SER  45   3.685 -14.254  -9.650
    6   2HB   SER  45          2HB       SER  45   2.943 -15.691 -10.348
    7    HG   SER  45           HG       SER  45   2.325 -13.405 -11.076
    8    H    ASP  46           H        ASP  46  -0.306 -14.623  -8.502
    9    HA   ASP  46           HA       ASP  46  -1.106 -17.487  -8.913
   10   1HB   ASP  46          1HB       ASP  46  -1.442 -16.552  -6.591
   11   2HB   ASP  46          2HB       ASP  46  -2.545 -15.366  -7.291
   12    H    GLY  47           H        GLY  47  -1.430 -17.184 -11.182
   13   1HA   GLY  47          1HA       GLY  47  -3.453 -16.892 -12.639
   14   2HA   GLY  47          2HA       GLY  47  -3.654 -15.307 -11.888
   15    H    ASP  48           H        ASP  48  -3.492 -15.414 -14.627
   16    HA   ASP  48           HA       ASP  48  -0.680 -14.744 -15.362
   17   1HB   ASP  48          1HB       ASP  48  -2.023 -16.372 -16.688
   18   2HB   ASP  48          2HB       ASP  48  -3.196 -15.099 -17.025
   19    H    GLN  49           H        GLN  49  -1.947 -12.847 -13.689
   20    HA   GLN  49           HA       GLN  49  -3.124 -10.705 -15.314
   21   1HB   GLN  49          1HB       GLN  49  -2.231 -11.028 -12.440
   22   2HB   GLN  49          2HB       GLN  49  -2.909  -9.521 -13.056
   23   1HG   GLN  49          1HG       GLN  49  -4.797 -10.632 -12.202
   24   2HG   GLN  49          2HG       GLN  49  -4.856 -11.018 -13.922
   25   1HE2  GLN  49          2HE2      GLN  49  -6.022 -13.045 -13.411
   26   2HE2  GLN  49          1HE2      GLN  49  -5.187 -14.377 -12.771
   27    H    CYS  50           H        CYS  50  -0.057 -11.215 -13.547
   28    HA   CYS  50           HA       CYS  50   1.122  -8.875 -14.999
   29   1HB   CYS  50          1HB       CYS  50   1.060  -8.928 -12.491
   30   2HB   CYS  50          2HB       CYS  50   2.062 -10.379 -12.536
   31    H    ALA  51           H        ALA  51   0.897 -11.124 -16.582
   32    HA   ALA  51           HA       ALA  51   3.282 -12.820 -16.394
   33   1HB   ALA  51          1HB       ALA  51   1.023 -13.526 -17.230
   34   2HB   ALA  51          2HB       ALA  51   1.247 -12.458 -18.616
   35   3HB   ALA  51          3HB       ALA  51   2.315 -13.841 -18.388
   36    H    SER  52           H        SER  52   2.085 -10.609 -18.959
   37    HA   SER  52           HA       SER  52   4.849 -10.318 -19.992
   38   1HB   SER  52          1HB       SER  52   2.427 -10.617 -21.167
   39   2HB   SER  52          2HB       SER  52   2.540  -8.860 -21.165
   40    HG   SER  52           HG       SER  52   3.480  -9.922 -23.030
   41    H    SER  53           H        SER  53   3.665  -8.963 -17.415
   42    HA   SER  53           HA       SER  53   3.818  -6.861 -16.352
   43   1HB   SER  53          1HB       SER  53   6.142  -7.165 -16.692
   44   2HB   SER  53          2HB       SER  53   6.007  -6.912 -18.430
   45    HG   SER  53           HG       SER  53   5.996  -4.809 -18.126
   46    HA   PRO  54           HA       PRO  54   1.380  -4.724 -19.660
   47   1HB   PRO  54          1HB       PRO  54  -0.760  -4.094 -18.075
   48   2HB   PRO  54          2HB       PRO  54  -0.615  -5.639 -18.936
   49   1HG   PRO  54          1HG       PRO  54  -0.086  -5.009 -16.076
   50   2HG   PRO  54          2HG       PRO  54  -0.833  -6.444 -16.797
   51   1HD   PRO  54          1HD       PRO  54   1.750  -6.368 -15.928
   52   2HD   PRO  54          2HD       PRO  54   1.183  -7.435 -17.232
   53    H    CYS  55           H        CYS  55   2.442  -3.894 -16.439
   54    HA   CYS  55           HA       CYS  55   1.733  -1.117 -16.355
   55   1HB   CYS  55          1HB       CYS  55   4.149  -2.553 -15.193
   56   2HB   CYS  55          2HB       CYS  55   3.484  -1.025 -14.625
   57    H    GLN  56           H        GLN  56   2.942   0.738 -17.030
   58    HA   GLN  56           HA       GLN  56   5.389   0.228 -18.673
   59   1HB   GLN  56          1HB       GLN  56   4.416   1.723 -20.416
   60   2HB   GLN  56          2HB       GLN  56   3.443   0.276 -20.163
   61   1HG   GLN  56          1HG       GLN  56   1.694   1.443 -19.255
   62   2HG   GLN  56          2HG       GLN  56   2.748   2.624 -18.478
   63   1HE2  GLN  56          2HE2      GLN  56   0.512   2.322 -20.953
   64   2HE2  GLN  56          1HE2      GLN  56   1.015   3.618 -21.928
   65    H    ASN  57           H        ASN  57   6.055   2.681 -19.475
   66    HA   ASN  57           HA       ASN  57   7.096   4.667 -18.743
   67   1HB   ASN  57          1HB       ASN  57   4.385   4.591 -17.437
   68   2HB   ASN  57          2HB       ASN  57   5.473   5.947 -17.139
   69   1HD2  ASN  57          2HD2      ASN  57   2.950   6.133 -18.631
   70   2HD2  ASN  57          1HD2      ASN  57   3.347   6.598 -20.214
   71    H    GLY  58           H        GLY  58   8.288   2.583 -17.478
   72   1HA   GLY  58          1HA       GLY  58   9.575   2.042 -15.596
   73   2HA   GLY  58          2HA       GLY  58   9.359   3.720 -15.101
   74    H    GLY  59           H        GLY  59   6.582   1.647 -15.601
   75   1HA   GLY  59          1HA       GLY  59   5.891   1.958 -12.741
   76   2HA   GLY  59          2HA       GLY  59   4.810   1.370 -14.006
   77    H    SER  60           H        SER  60   5.909   0.269 -11.287
   78    HA   SER  60           HA       SER  60   7.152  -2.271 -12.165
   79   1HB   SER  60          1HB       SER  60   7.330  -0.633  -9.949
   80   2HB   SER  60          2HB       SER  60   6.306  -1.940  -9.361
   81    HG   SER  60           HG       SER  60   7.906  -3.400 -10.124
   82    H    CYS  61           H        CYS  61   6.050  -4.215 -12.277
   83    HA   CYS  61           HA       CYS  61   3.102  -4.141 -11.861
   84   1HB   CYS  61          1HB       CYS  61   4.087  -4.807 -14.043
   85   2HB   CYS  61          2HB       CYS  61   4.935  -6.128 -13.242
   86    H    LYS  62           H        LYS  62   2.230  -5.144 -10.110
   87    HA   LYS  62           HA       LYS  62   3.822  -7.288  -8.738
   88   1HB   LYS  62          1HB       LYS  62   3.473  -4.816  -7.766
   89   2HB   LYS  62          2HB       LYS  62   1.941  -5.512  -7.237
   90   1HG   LYS  62          1HG       LYS  62   3.283  -6.064  -5.429
   91   2HG   LYS  62          2HG       LYS  62   3.506  -7.498  -6.432
   92   1HD   LYS  62          1HD       LYS  62   5.333  -5.187  -6.915
   93   2HD   LYS  62          2HD       LYS  62   5.590  -6.135  -5.450
   94   1HE   LYS  62          1HE       LYS  62   5.433  -8.207  -7.038
   95   2HE   LYS  62          2HE       LYS  62   5.766  -7.030  -8.324
   96   1HZ   LYS  62          1HZ       LYS  62   7.651  -6.221  -6.990
   97   2HZ   LYS  62          2HZ       LYS  62   7.375  -7.462  -5.861
   98   3HZ   LYS  62          3HZ       LYS  62   7.843  -7.842  -7.450
   99    H    ASP  63           H        ASP  63   2.643  -9.131  -8.235
  100    HA   ASP  63           HA       ASP  63  -0.031  -9.431  -9.382
  101   1HB   ASP  63          1HB       ASP  63   0.276 -11.765  -8.584
  102   2HB   ASP  63          2HB       ASP  63   1.692 -11.191  -9.463
  103    H    GLN  64           H        GLN  64  -1.848  -8.818  -8.297
  104    HA   GLN  64           HA       GLN  64  -1.795  -8.757  -5.303
  105   1HB   GLN  64          1HB       GLN  64  -3.263  -7.271  -7.477
  106   2HB   GLN  64          2HB       GLN  64  -3.894  -7.288  -5.831
  107   1HG   GLN  64          1HG       GLN  64  -1.026  -6.551  -6.425
  108   2HG   GLN  64          2HG       GLN  64  -2.317  -5.350  -6.442
  109   1HE2  GLN  64          2HE2      GLN  64  -3.658  -5.224  -4.357
  110   2HE2  GLN  64          1HE2      GLN  64  -2.866  -5.534  -2.888
  111    H    LEU  65           H        LEU  65  -2.122 -11.291  -6.317
  112    HA   LEU  65           HA       LEU  65  -3.545 -13.159  -6.276
  113   1HB   LEU  65          1HB       LEU  65  -4.725 -11.131  -4.418
  114   2HB   LEU  65          2HB       LEU  65  -5.672 -12.576  -4.772
  115    HG   LEU  65           HG       LEU  65  -2.772 -12.734  -3.943
  116   1HD1  LEU  65          1HD1      LEU  65  -5.251 -12.409  -2.283
  117   2HD1  LEU  65          2HD1      LEU  65  -3.947 -13.436  -1.686
  118   3HD1  LEU  65          3HD1      LEU  65  -3.642 -11.732  -2.028
  119   1HD2  LEU  65          1HD2      LEU  65  -4.086 -14.658  -5.070
  120   2HD2  LEU  65          2HD2      LEU  65  -3.241 -15.025  -3.565
  121   3HD2  LEU  65          3HD2      LEU  65  -4.983 -14.753  -3.554
  122    H    GLN  66           H        GLN  66  -6.275 -10.887  -6.119
  123    HA   GLN  66           HA       GLN  66  -7.716 -12.122  -8.244
  124   1HB   GLN  66          1HB       GLN  66  -7.799  -9.506  -6.766
  125   2HB   GLN  66          2HB       GLN  66  -8.868  -9.744  -8.148
  126   1HG   GLN  66          1HG       GLN  66 -10.027 -11.496  -7.121
  127   2HG   GLN  66          2HG       GLN  66  -8.700 -11.854  -6.015
  128   1HE2  GLN  66          1HE2      GLN  66 -11.455  -9.702  -6.575
  129   2HE2  GLN  66          2HE2      GLN  66 -11.434  -8.986  -5.035
  130    H    SER  67           H        SER  67  -6.594  -8.741  -8.443
  131    HA   SER  67           HA       SER  67  -5.902  -9.225 -11.321
  132   1HB   SER  67          1HB       SER  67  -6.476  -6.852 -11.592
  133   2HB   SER  67          2HB       SER  67  -7.795  -7.694 -10.785
  134    HG   SER  67           HG       SER  67  -7.530  -6.219  -9.311
  135    H    TYR  68           H        TYR  68  -4.421  -6.933 -11.784
  136    HA   TYR  68           HA       TYR  68  -2.000  -7.380 -10.076
  137   1HB   TYR  68          1HB       TYR  68  -0.787  -6.576 -12.105
  138   2HB   TYR  68          2HB       TYR  68  -1.781  -7.991 -12.443
  139    HD1  TYR  68           HD1      TYR  68  -1.684  -4.275 -12.682
  140    HD2  TYR  68           HD2      TYR  68  -3.553  -7.898 -14.031
  141    HE1  TYR  68           HE1      TYR  68  -2.896  -2.999 -14.427
  142    HE2  TYR  68           HE2      TYR  68  -4.766  -6.622 -15.779
  143    HH   TYR  68           HH       TYR  68  -4.001  -3.923 -16.945
  144    H    ILE  69           H        ILE  69  -0.554  -5.348 -10.023
  145    HA   ILE  69           HA       ILE  69  -2.114  -2.809  -9.993
  146    HB   ILE  69           HB       ILE  69  -2.274  -3.845  -7.759
  147   1HG1  ILE  69          1HG1      ILE  69  -0.228  -1.665  -7.447
  148   2HG1  ILE  69          2HG1      ILE  69  -1.785  -1.297  -8.189
  149   1HG2  ILE  69          1HG2      ILE  69  -0.089  -5.139  -8.059
  150   2HG2  ILE  69          2HG2      ILE  69   0.740  -3.652  -7.601
  151   3HG2  ILE  69          3HG2      ILE  69  -0.357  -4.435  -6.465
  152   1HD1  ILE  69          1HD1      ILE  69  -1.880  -2.892  -5.685
  153   2HD1  ILE  69          2HD1      ILE  69  -1.376  -1.210  -5.516
  154   3HD1  ILE  69          3HD1      ILE  69  -2.941  -1.593  -6.235
  155    H    CYS  70           H        CYS  70  -0.905  -1.339 -11.111
  156    HA   CYS  70           HA       CYS  70   1.980  -1.818 -11.541
  157   1HB   CYS  70          1HB       CYS  70  -0.044   0.184 -12.587
  158   2HB   CYS  70          2HB       CYS  70   1.643   0.153 -13.095
  159    H    PHE  71           H        PHE  71   3.572  -0.663 -10.516
  160    HA   PHE  71           HA       PHE  71   2.781   1.407  -8.533
  161   1HB   PHE  71          1HB       PHE  71   5.201  -0.296  -9.114
  162   2HB   PHE  71          2HB       PHE  71   5.338   1.100  -8.047
  163    HD1  PHE  71           HD1      PHE  71   3.477  -2.086  -8.580
  164    HD2  PHE  71           HD2      PHE  71   4.548   1.018  -5.812
  165    HE1  PHE  71           HE1      PHE  71   2.514  -3.411  -6.719
  166    HE2  PHE  71           HE2      PHE  71   3.585  -0.307  -3.951
  167    HZ   PHE  71           HZ       PHE  71   2.567  -2.523  -4.404
  168    H    CYS  72           H        CYS  72   2.337   3.145 -10.024
  169    HA   CYS  72           HA       CYS  72   4.226   3.986 -12.058
  170   1HB   CYS  72          1HB       CYS  72   1.984   5.511 -10.690
  171   2HB   CYS  72          2HB       CYS  72   2.702   5.896 -12.250
  172    H    LEU  73           H        LEU  73   5.058   6.338 -11.970
  173    HA   LEU  73           HA       LEU  73   6.724   6.660  -9.568
  174   1HB   LEU  73          1HB       LEU  73   6.426   7.888 -12.302
  175   2HB   LEU  73          2HB       LEU  73   7.376   8.738 -11.091
  176    HG   LEU  73           HG       LEU  73   8.815   7.292 -12.468
  177   1HD1  LEU  73          1HD1      LEU  73   9.181   7.618  -9.939
  178   2HD1  LEU  73          2HD1      LEU  73   8.573   5.973  -9.764
  179   3HD1  LEU  73          3HD1      LEU  73  10.029   6.279 -10.708
  180   1HD2  LEU  73          1HD2      LEU  73   6.890   5.618 -12.863
  181   2HD2  LEU  73          2HD2      LEU  73   8.508   4.948 -12.653
  182   3HD2  LEU  73          3HD2      LEU  73   7.356   4.910 -11.317
  183    HA   PRO  74           HA       PRO  74   4.310   9.748  -7.557
  184   1HB   PRO  74          1HB       PRO  74   6.053  11.804  -7.034
  185   2HB   PRO  74          2HB       PRO  74   6.054  10.270  -6.139
  186   1HG   PRO  74          1HG       PRO  74   7.805  11.144  -8.391
  187   2HG   PRO  74          2HG       PRO  74   8.231  10.281  -6.902
  188   1HD   PRO  74          1HD       PRO  74   7.960   9.013  -9.259
  189   2HD   PRO  74          2HD       PRO  74   7.518   8.242  -7.721
  190    H    ALA  75           H        ALA  75   5.865  10.523 -10.542
  191    HA   ALA  75           HA       ALA  75   4.168  12.968 -10.870
  192   1HB   ALA  75          1HB       ALA  75   6.776  12.002 -12.052
  193   2HB   ALA  75          2HB       ALA  75   5.861  13.313 -12.796
  194   3HB   ALA  75          3HB       ALA  75   6.471  13.486 -11.151
  195    H    PHE  76           H        PHE  76   3.445  10.001 -11.252
  196    HA   PHE  76           HA       PHE  76   2.479  10.253 -14.080
  197   1HB   PHE  76          1HB       PHE  76   3.875   8.009 -12.633
  198   2HB   PHE  76          2HB       PHE  76   2.813   7.659 -13.997
  199    HD1  PHE  76           HD1      PHE  76   5.721   9.791 -12.994
  200    HD2  PHE  76           HD2      PHE  76   3.597   7.878 -16.201
  201    HE1  PHE  76           HE1      PHE  76   7.531  10.420 -14.570
  202    HE2  PHE  76           HE2      PHE  76   5.407   8.507 -17.776
  203    HZ   PHE  76           HZ       PHE  76   7.373   9.778 -16.960
  204    H    GLU  77           H        GLU  77   0.542   8.833 -14.472
  205    HA   GLU  77           HA       GLU  77  -0.975   8.012 -12.053
  206   1HB   GLU  77          1HB       GLU  77  -1.215  10.550 -12.995
  207   2HB   GLU  77          2HB       GLU  77  -2.435   9.741 -13.979
  208   1HG   GLU  77          1HG       GLU  77  -3.039   8.660 -11.590
  209   2HG   GLU  77          2HG       GLU  77  -2.370  10.197 -11.038
  210    H    GLY  78           H        GLY  78  -3.258   7.184 -12.920
  211   1HA   GLY  78          1HA       GLY  78  -4.467   6.121 -14.766
  212   2HA   GLY  78          2HA       GLY  78  -2.921   5.869 -15.578
  213    H    ARG  79           H        ARG  79  -4.472   3.677 -15.391
  214    HA   ARG  79           HA       ARG  79  -3.986   2.140 -12.945
  215   1HB   ARG  79          1HB       ARG  79  -5.973   1.983 -14.516
  216   2HB   ARG  79          2HB       ARG  79  -4.897   1.217 -15.686
  217   1HG   ARG  79          1HG       ARG  79  -5.636  -0.690 -14.645
  218   2HG   ARG  79          2HG       ARG  79  -4.327  -0.294 -13.529
  219   1HD   ARG  79          1HD       ARG  79  -5.841   0.738 -11.973
  220   2HD   ARG  79          2HD       ARG  79  -7.170   0.697 -13.148
  221    HE   ARG  79           HE       ARG  79  -6.094  -1.954 -12.721
  222   1HH1  ARG  79          1HH1      ARG  79  -8.405   0.406 -11.609
  223   2HH1  ARG  79          2HH1      ARG  79  -9.233  -0.726 -10.597
  224   1HH2  ARG  79          1HH2      ARG  79  -7.106  -3.364 -11.290
  225   2HH2  ARG  79          2HH2      ARG  79  -8.507  -2.839 -10.417
  226    H    ASN  80           H        ASN  80  -2.700   2.163 -16.273
  227    HA   ASN  80           HA       ASN  80  -0.575   0.226 -15.443
  228   1HB   ASN  80          1HB       ASN  80  -1.664   1.145 -18.122
  229   2HB   ASN  80          2HB       ASN  80  -0.322   0.013 -17.944
  230   1HD2  ASN  80          2HD2      ASN  80  -0.896  -1.947 -16.412
  231   2HD2  ASN  80          1HD2      ASN  80  -2.449  -2.606 -16.603
  232    H    CYS  81           H        CYS  81  -0.630   3.170 -14.827
  233    HA   CYS  81           HA       CYS  81   0.864   4.996 -14.835
  234   1HB   CYS  81          1HB       CYS  81   2.757   2.880 -15.914
  235   2HB   CYS  81          2HB       CYS  81   3.219   4.377 -15.112
  236    H    GLU  82           H        GLU  82  -0.701   4.283 -17.329
  237    HA   GLU  82           HA       GLU  82   0.997   4.967 -19.602
  238   1HB   GLU  82          1HB       GLU  82  -1.179   4.937 -20.788
  239   2HB   GLU  82          2HB       GLU  82  -0.994   3.524 -19.751
  240   1HG   GLU  82          1HG       GLU  82  -2.997   4.077 -18.858
  241   2HG   GLU  82          2HG       GLU  82  -2.162   5.409 -18.062
  242    H    THR  83           H        THR  83  -0.644   6.818 -17.176
  243    HA   THR  83           HA       THR  83  -0.763   9.246 -18.898
  244    HB   THR  83           HB       THR  83  -1.609   8.946 -16.012
  245    HG1  THR  83           HG1      THR  83  -3.003   8.210 -18.369
  246   1HG2  THR  83          1HG2      THR  83  -1.584  11.202 -17.087
  247   2HG2  THR  83          2HG2      THR  83  -2.715  10.598 -18.298
  248   3HG2  THR  83          3HG2      THR  83  -3.200  10.687 -16.604
  249    H    HIS  84           H        HIS  84   0.230  11.242 -18.106
  250    HA   HIS  84           HA       HIS  84   2.511  10.812 -16.203
  251   1HB   HIS  84          1HB       HIS  84   2.982  10.894 -18.742
  252   2HB   HIS  84          2HB       HIS  84   2.558  12.603 -18.638
  253    HD1  HIS  84           HD1      HIS  84   5.487  11.414 -19.218
  254    HD2  HIS  84           HD2      HIS  84   4.118  12.935 -15.586
  255    HE1  HIS  84           HE1      HIS  84   7.542  12.119 -17.917
  256    H    LYS  85           H        LYS  85   2.342  12.200 -14.494
  257    HA   LYS  85           HA       LYS  85   0.530  14.538 -14.657
  258   1HB   LYS  85          1HB       LYS  85   2.017  13.045 -12.490
  259   2HB   LYS  85          2HB       LYS  85   1.186  14.565 -12.155
  260   1HG   LYS  85          1HG       LYS  85  -0.358  12.515 -13.660
  261   2HG   LYS  85          2HG       LYS  85  -0.040  12.171 -11.959
  262   1HD   LYS  85          1HD       LYS  85  -0.949  14.930 -12.589
  263   2HD   LYS  85          2HD       LYS  85  -2.147  13.651 -12.780
  264   1HE   LYS  85          1HE       LYS  85  -2.468  13.987 -10.528
  265   2HE   LYS  85          2HE       LYS  85  -1.032  12.956 -10.374
  266   1HZ   LYS  85          1HZ       LYS  85  -0.880  15.890 -10.785
  267   2HZ   LYS  85          2HZ       LYS  85  -0.868  15.178  -9.245
  268   3HZ   LYS  85          3HZ       LYS  85   0.378  14.835 -10.348
  269    H    ASP  86           H        ASP  86   1.282  16.676 -13.996
  270    HA   ASP  86           HA       ASP  86   4.152  17.155 -14.681
  271   1HB   ASP  86          1HB       ASP  86   2.316  18.223 -16.002
  272   2HB   ASP  86          2HB       ASP  86   1.772  19.035 -14.534
  273    H    ASP  87           H        ASP  87   3.118  16.266 -11.988
  274    HA   ASP  87           HA       ASP  87   4.567  18.245 -10.372
  275   1HB   ASP  87          1HB       ASP  87   2.584  18.712  -8.936
  276   2HB   ASP  87          2HB       ASP  87   2.337  19.256 -10.594
  277    H    GLY  88           H        GLY  88   3.725  17.463  -7.854
  278   1HA   GLY  88          1HA       GLY  88   3.988  14.488  -7.828
  279   2HA   GLY  88          2HA       GLY  88   5.062  15.478  -6.837
  280    H    SER  89           H        SER  89   2.134  13.823  -6.858
  281    HA   SER  89           HA       SER  89   1.009  15.454  -4.611
  282   1HB   SER  89          1HB       SER  89  -0.356  15.000  -6.665
  283   2HB   SER  89          2HB       SER  89  -0.232  13.276  -6.327
  284    HG   SER  89           HG       SER  89  -1.955  15.029  -5.341
  285    H    ALA  90           H        ALA  90   0.304  14.310  -2.691
  286    HA   ALA  90           HA       ALA  90   1.465  11.565  -2.346
  287   1HB   ALA  90          1HB       ALA  90   2.725  13.648  -1.400
  288   2HB   ALA  90          2HB       ALA  90   1.442  13.675  -0.192
  289   3HB   ALA  90          3HB       ALA  90   2.487  12.262  -0.337
  Start of MODEL   15
    1   1H    SER  45          1H        SER  45   1.274 -16.106  -9.105
    2   2H    SER  45          2H        SER  45   1.186 -15.267  -7.631
    3   3H    SER  45          3H        SER  45   2.600 -16.108  -8.043
    4    HA   SER  45           HA       SER  45   1.565 -18.210  -7.777
    5   1HB   SER  45          1HB       SER  45   0.777 -16.209  -5.636
    6   2HB   SER  45          2HB       SER  45   0.863 -17.951  -5.394
    7    HG   SER  45           HG       SER  45   2.975 -17.838  -5.362
    8    H    ASP  46           H        ASP  46  -0.786 -15.542  -7.455
    9    HA   ASP  46           HA       ASP  46  -2.961 -17.476  -8.192
   10   1HB   ASP  46          1HB       ASP  46  -2.925 -16.613  -5.820
   11   2HB   ASP  46          2HB       ASP  46  -3.145 -14.987  -6.468
   12    H    GLY  47           H        GLY  47  -2.560 -16.850 -10.466
   13   1HA   GLY  47          1HA       GLY  47  -3.837 -15.622 -12.172
   14   2HA   GLY  47          2HA       GLY  47  -3.801 -14.211 -11.114
   15    H    ASP  48           H        ASP  48  -2.840 -14.501 -13.918
   16    HA   ASP  48           HA       ASP  48   0.058 -13.843 -13.490
   17   1HB   ASP  48          1HB       ASP  48  -0.438 -15.913 -14.779
   18   2HB   ASP  48          2HB       ASP  48  -1.377 -14.955 -15.925
   19    H    GLN  49           H        GLN  49  -1.742 -11.786 -13.078
   20    HA   GLN  49           HA       GLN  49  -2.553 -10.279 -15.365
   21   1HB   GLN  49          1HB       GLN  49  -1.726  -9.479 -12.555
   22   2HB   GLN  49          2HB       GLN  49  -2.530  -8.394 -13.690
   23   1HG   GLN  49          1HG       GLN  49  -3.655 -11.065 -12.802
   24   2HG   GLN  49          2HG       GLN  49  -4.117  -9.512 -12.103
   25   1HE2  GLN  49          2HE2      GLN  49  -4.722 -11.687 -14.717
   26   2HE2  GLN  49          1HE2      GLN  49  -5.749 -10.674 -15.610
   27    H    CYS  50           H        CYS  50   0.532 -10.450 -13.629
   28    HA   CYS  50           HA       CYS  50   1.713  -8.299 -15.294
   29   1HB   CYS  50          1HB       CYS  50   2.766 -10.057 -13.052
   30   2HB   CYS  50          2HB       CYS  50   3.656  -8.718 -13.776
   31    H    ALA  51           H        ALA  51   0.945 -10.462 -16.885
   32    HA   ALA  51           HA       ALA  51   3.101 -12.390 -17.249
   33   1HB   ALA  51          1HB       ALA  51   0.631 -12.643 -17.801
   34   2HB   ALA  51          2HB       ALA  51   0.905 -11.568 -19.171
   35   3HB   ALA  51          3HB       ALA  51   1.730 -13.125 -19.093
   36    H    SER  52           H        SER  52   1.871  -9.844 -19.461
   37    HA   SER  52           HA       SER  52   4.551  -9.714 -20.748
   38   1HB   SER  52          1HB       SER  52   2.169  -9.942 -21.848
   39   2HB   SER  52          2HB       SER  52   2.093  -8.201 -21.593
   40    HG   SER  52           HG       SER  52   3.013  -8.953 -23.649
   41    H    SER  53           H        SER  53   3.898  -8.496 -18.045
   42    HA   SER  53           HA       SER  53   4.288  -6.480 -16.878
   43   1HB   SER  53          1HB       SER  53   6.424  -6.974 -18.180
   44   2HB   SER  53          2HB       SER  53   5.868  -5.801 -19.370
   45    HG   SER  53           HG       SER  53   6.473  -4.280 -18.063
   46    HA   PRO  54           HA       PRO  54   1.183  -4.195 -19.478
   47   1HB   PRO  54          1HB       PRO  54  -0.678  -3.878 -17.496
   48   2HB   PRO  54          2HB       PRO  54  -0.620  -5.305 -18.549
   49   1HG   PRO  54          1HG       PRO  54   0.373  -4.967 -15.763
   50   2HG   PRO  54          2HG       PRO  54  -0.436  -6.351 -16.513
   51   1HD   PRO  54          1HD       PRO  54   2.251  -6.238 -16.092
   52   2HD   PRO  54          2HD       PRO  54   1.506  -7.167 -17.412
   53    H    CYS  55           H        CYS  55   2.726  -3.667 -16.385
   54    HA   CYS  55           HA       CYS  55   1.954  -0.866 -16.091
   55   1HB   CYS  55          1HB       CYS  55   4.220  -2.487 -14.875
   56   2HB   CYS  55          2HB       CYS  55   3.613  -0.950 -14.265
   57    H    GLN  56           H        GLN  56   2.804   0.752 -17.356
   58    HA   GLN  56           HA       GLN  56   5.431   0.273 -18.707
   59   1HB   GLN  56          1HB       GLN  56   4.618   2.062 -20.233
   60   2HB   GLN  56          2HB       GLN  56   3.466   0.736 -20.111
   61   1HG   GLN  56          1HG       GLN  56   1.895   2.021 -19.085
   62   2HG   GLN  56          2HG       GLN  56   3.088   2.885 -18.118
   63   1HE2  GLN  56          2HE2      GLN  56   1.388   2.871 -21.219
   64   2HE2  GLN  56          1HE2      GLN  56   1.891   4.417 -21.706
   65    H    ASN  57           H        ASN  57   6.062   2.967 -19.243
   66    HA   ASN  57           HA       ASN  57   7.267   4.758 -18.300
   67   1HB   ASN  57          1HB       ASN  57   4.881   4.340 -16.511
   68   2HB   ASN  57          2HB       ASN  57   6.058   5.600 -16.137
   69   1HD2  ASN  57          2HD2      ASN  57   3.262   6.036 -17.021
   70   2HD2  ASN  57          1HD2      ASN  57   3.352   6.898 -18.480
   71    H    GLY  58           H        GLY  58   8.284   2.127 -17.680
   72   1HA   GLY  58          1HA       GLY  58   9.859   1.128 -16.257
   73   2HA   GLY  58          2HA       GLY  58  10.134   2.741 -15.605
   74    H    GLY  59           H        GLY  59   7.048   1.014 -15.540
   75   1HA   GLY  59          1HA       GLY  59   7.091   1.225 -12.574
   76   2HA   GLY  59          2HA       GLY  59   5.653   0.975 -13.562
   77    H    SER  60           H        SER  60   6.728  -0.601 -11.254
   78    HA   SER  60           HA       SER  60   7.409  -3.205 -12.520
   79   1HB   SER  60          1HB       SER  60   7.763  -1.841  -9.944
   80   2HB   SER  60          2HB       SER  60   7.278  -3.525  -9.767
   81    HG   SER  60           HG       SER  60   9.658  -2.751 -10.163
   82    H    CYS  61           H        CYS  61   5.851  -4.756 -12.799
   83    HA   CYS  61           HA       CYS  61   3.104  -4.238 -11.834
   84   1HB   CYS  61          1HB       CYS  61   3.758  -4.948 -14.178
   85   2HB   CYS  61          2HB       CYS  61   4.217  -6.512 -13.502
   86    H    LYS  62           H        LYS  62   2.207  -5.296 -10.111
   87    HA   LYS  62           HA       LYS  62   3.601  -7.733  -9.047
   88   1HB   LYS  62          1HB       LYS  62   3.773  -5.322  -7.904
   89   2HB   LYS  62          2HB       LYS  62   2.209  -5.795  -7.239
   90   1HG   LYS  62          1HG       LYS  62   3.716  -6.621  -5.639
   91   2HG   LYS  62          2HG       LYS  62   3.409  -8.036  -6.647
   92   1HD   LYS  62          1HD       LYS  62   5.511  -8.009  -7.568
   93   2HD   LYS  62          2HD       LYS  62   5.631  -6.250  -7.500
   94   1HE   LYS  62          1HE       LYS  62   6.048  -6.325  -5.092
   95   2HE   LYS  62          2HE       LYS  62   5.812  -8.084  -5.082
   96   1HZ   LYS  62          1HZ       LYS  62   7.801  -6.705  -6.800
   97   2HZ   LYS  62          2HZ       LYS  62   8.183  -7.370  -5.287
   98   3HZ   LYS  62          3HZ       LYS  62   7.644  -8.378  -6.544
   99    H    ASP  63           H        ASP  63   2.208  -9.444  -8.897
  100    HA   ASP  63           HA       ASP  63  -0.585  -9.249  -9.568
  101   1HB   ASP  63          1HB       ASP  63  -0.567 -11.651  -8.897
  102   2HB   ASP  63          2HB       ASP  63   0.800 -11.247  -9.934
  103    H    GLN  64           H        GLN  64  -2.158  -8.439  -8.251
  104    HA   GLN  64           HA       GLN  64  -1.828  -8.732  -5.282
  105   1HB   GLN  64          1HB       GLN  64  -2.922  -6.580  -7.088
  106   2HB   GLN  64          2HB       GLN  64  -3.424  -6.662  -5.400
  107   1HG   GLN  64          1HG       GLN  64  -0.528  -6.598  -6.288
  108   2HG   GLN  64          2HG       GLN  64  -1.437  -5.166  -5.800
  109   1HE2  GLN  64          2HE2      GLN  64  -2.780  -5.807  -3.563
  110   2HE2  GLN  64          1HE2      GLN  64  -1.765  -6.437  -2.355
  111    H    LEU  65           H        LEU  65  -2.920 -10.939  -6.167
  112    HA   LEU  65           HA       LEU  65  -4.835 -12.317  -6.159
  113   1HB   LEU  65          1HB       LEU  65  -5.424  -9.984  -4.373
  114   2HB   LEU  65          2HB       LEU  65  -6.736 -11.107  -4.733
  115    HG   LEU  65           HG       LEU  65  -4.112 -12.300  -3.984
  116   1HD1  LEU  65          1HD1      LEU  65  -4.720 -10.280  -2.420
  117   2HD1  LEU  65          2HD1      LEU  65  -5.953 -11.377  -1.796
  118   3HD1  LEU  65          3HD1      LEU  65  -4.248 -11.820  -1.702
  119   1HD2  LEU  65          1HD2      LEU  65  -6.450 -13.402  -4.545
  120   2HD2  LEU  65          2HD2      LEU  65  -5.450 -14.062  -3.249
  121   3HD2  LEU  65          3HD2      LEU  65  -6.808 -13.002  -2.865
  122    H    GLN  66           H        GLN  66  -5.601 -12.437  -8.257
  123    HA   GLN  66           HA       GLN  66  -7.084 -12.099 -10.056
  124   1HB   GLN  66          1HB       GLN  66  -8.472 -11.460  -7.763
  125   2HB   GLN  66          2HB       GLN  66  -8.636  -9.978  -8.704
  126   1HG   GLN  66          1HG       GLN  66 -10.483 -11.462  -9.256
  127   2HG   GLN  66          2HG       GLN  66  -9.404 -11.359 -10.648
  128   1HE2  GLN  66          2HE2      GLN  66  -9.902 -13.487 -11.473
  129   2HE2  GLN  66          1HE2      GLN  66  -9.457 -14.903 -10.649
  130    H    SER  67           H        SER  67  -7.018  -8.837  -8.562
  131    HA   SER  67           HA       SER  67  -6.417  -7.622 -11.174
  132   1HB   SER  67          1HB       SER  67  -7.992  -6.542  -9.701
  133   2HB   SER  67          2HB       SER  67  -6.861  -6.609  -8.352
  134    HG   SER  67           HG       SER  67  -7.021  -4.851 -10.468
  135    H    TYR  68           H        TYR  68  -4.661  -5.715 -10.909
  136    HA   TYR  68           HA       TYR  68  -2.241  -6.817  -9.528
  137   1HB   TYR  68          1HB       TYR  68  -0.965  -6.213 -11.588
  138   2HB   TYR  68          2HB       TYR  68  -2.196  -7.437 -11.899
  139    HD1  TYR  68           HD1      TYR  68  -1.472  -3.789 -12.138
  140    HD2  TYR  68           HD2      TYR  68  -3.974  -7.034 -13.429
  141    HE1  TYR  68           HE1      TYR  68  -2.502  -2.316 -13.848
  142    HE2  TYR  68           HE2      TYR  68  -5.004  -5.561 -15.138
  143    HH   TYR  68           HH       TYR  68  -4.509  -2.154 -15.165
  144    H    ILE  69           H        ILE  69  -0.456  -5.066  -9.531
  145    HA   ILE  69           HA       ILE  69  -1.589  -2.306  -9.352
  146    HB   ILE  69           HB       ILE  69  -1.655  -3.381  -7.129
  147   1HG1  ILE  69          1HG1      ILE  69   0.709  -1.521  -7.051
  148   2HG1  ILE  69          2HG1      ILE  69  -0.871  -0.921  -7.556
  149   1HG2  ILE  69          1HG2      ILE  69   0.238  -4.988  -7.657
  150   2HG2  ILE  69          2HG2      ILE  69   1.353  -3.654  -7.358
  151   3HG2  ILE  69          3HG2      ILE  69   0.316  -4.245  -6.060
  152   1HD1  ILE  69          1HD1      ILE  69  -0.829  -2.579  -5.091
  153   2HD1  ILE  69          2HD1      ILE  69  -0.089  -0.983  -4.968
  154   3HD1  ILE  69          3HD1      ILE  69  -1.775  -1.137  -5.463
  155    H    CYS  70           H        CYS  70  -0.269  -0.934 -10.479
  156    HA   CYS  70           HA       CYS  70   2.419  -1.851 -11.310
  157   1HB   CYS  70          1HB       CYS  70   0.647   0.512 -11.996
  158   2HB   CYS  70          2HB       CYS  70   2.236   0.248 -12.715
  159    H    PHE  71           H        PHE  71   4.292  -1.042 -10.447
  160    HA   PHE  71           HA       PHE  71   4.098   1.015  -8.301
  161   1HB   PHE  71          1HB       PHE  71   6.079  -1.081  -9.187
  162   2HB   PHE  71          2HB       PHE  71   6.576   0.201  -8.083
  163    HD1  PHE  71           HD1      PHE  71   4.243  -2.646  -8.542
  164    HD2  PHE  71           HD2      PHE  71   5.843   0.245  -5.798
  165    HE1  PHE  71           HE1      PHE  71   3.210  -3.871  -6.651
  166    HE2  PHE  71           HE2      PHE  71   4.810  -0.981  -3.905
  167    HZ   PHE  71           HZ       PHE  71   3.493  -3.039  -4.332
  168    H    CYS  72           H        CYS  72   3.867   2.889  -9.682
  169    HA   CYS  72           HA       CYS  72   6.201   3.481 -11.467
  170   1HB   CYS  72          1HB       CYS  72   3.360   4.544 -11.363
  171   2HB   CYS  72          2HB       CYS  72   4.577   5.049 -12.534
  172    H    LEU  73           H        LEU  73   5.945   6.199 -11.668
  173    HA   LEU  73           HA       LEU  73   7.019   7.140  -9.103
  174   1HB   LEU  73          1HB       LEU  73   6.947   7.898 -11.936
  175   2HB   LEU  73          2HB       LEU  73   6.777   9.288 -10.864
  176    HG   LEU  73           HG       LEU  73   8.805   8.512  -9.625
  177   1HD1  LEU  73          1HD1      LEU  73   8.943   6.507 -11.899
  178   2HD1  LEU  73          2HD1      LEU  73  10.220   6.786 -10.715
  179   3HD1  LEU  73          3HD1      LEU  73   8.668   6.126 -10.199
  180   1HD2  LEU  73          1HD2      LEU  73   8.895   9.164 -12.563
  181   2HD2  LEU  73          2HD2      LEU  73   9.285  10.197 -11.188
  182   3HD2  LEU  73          3HD2      LEU  73  10.391   8.911 -11.666
  183    HA   PRO  74           HA       PRO  74   3.346   8.973  -7.527
  184   1HB   PRO  74          1HB       PRO  74   4.235  11.366  -6.519
  185   2HB   PRO  74          2HB       PRO  74   4.542   9.800  -5.739
  186   1HG   PRO  74          1HG       PRO  74   6.327  11.413  -7.507
  187   2HG   PRO  74          2HG       PRO  74   6.711  10.544  -6.011
  188   1HD   PRO  74          1HD       PRO  74   7.300   9.533  -8.435
  189   2HD   PRO  74          2HD       PRO  74   6.826   8.495  -7.071
  190    H    ALA  75           H        ALA  75   5.091  10.520 -10.072
  191    HA   ALA  75           HA       ALA  75   2.980  12.576 -10.488
  192   1HB   ALA  75          1HB       ALA  75   5.634  12.759 -10.612
  193   2HB   ALA  75          2HB       ALA  75   5.365  12.187 -12.258
  194   3HB   ALA  75          3HB       ALA  75   4.612  13.686 -11.710
  195    H    PHE  76           H        PHE  76   2.832   9.479 -11.053
  196    HA   PHE  76           HA       PHE  76   2.021   9.727 -13.937
  197   1HB   PHE  76          1HB       PHE  76   3.183   7.460 -12.298
  198   2HB   PHE  76          2HB       PHE  76   2.503   7.221 -13.908
  199    HD1  PHE  76           HD1      PHE  76   4.950   9.414 -12.094
  200    HD2  PHE  76           HD2      PHE  76   3.884   7.471 -15.774
  201    HE1  PHE  76           HE1      PHE  76   7.079  10.172 -13.107
  202    HE2  PHE  76           HE2      PHE  76   6.020   8.227 -16.787
  203    HZ   PHE  76           HZ       PHE  76   7.618   9.576 -15.450
  204    H    GLU  77           H        GLU  77   0.153   8.346 -14.538
  205    HA   GLU  77           HA       GLU  77  -1.581   7.411 -12.314
  206   1HB   GLU  77          1HB       GLU  77  -1.770   9.979 -13.186
  207   2HB   GLU  77          2HB       GLU  77  -2.876   9.187 -14.311
  208   1HG   GLU  77          1HG       GLU  77  -4.347   9.581 -12.581
  209   2HG   GLU  77          2HG       GLU  77  -3.720   8.016 -12.060
  210    H    GLY  78           H        GLY  78  -3.664   6.442 -13.323
  211   1HA   GLY  78          1HA       GLY  78  -4.723   5.458 -15.318
  212   2HA   GLY  78          2HA       GLY  78  -3.115   5.297 -16.027
  213    H    ARG  79           H        ARG  79  -5.127   3.184 -15.565
  214    HA   ARG  79           HA       ARG  79  -4.519   1.534 -13.319
  215   1HB   ARG  79          1HB       ARG  79  -6.246   1.499 -15.429
  216   2HB   ARG  79          2HB       ARG  79  -5.119   0.232 -15.918
  217   1HG   ARG  79          1HG       ARG  79  -5.479  -0.983 -13.868
  218   2HG   ARG  79          2HG       ARG  79  -6.407   0.350 -13.179
  219   1HD   ARG  79          1HD       ARG  79  -7.354  -0.802 -15.778
  220   2HD   ARG  79          2HD       ARG  79  -7.655  -1.725 -14.292
  221    HE   ARG  79           HE       ARG  79  -8.422   0.734 -13.489
  222   1HH1  ARG  79          1HH1      ARG  79  -9.274  -1.219 -16.245
  223   2HH1  ARG  79          2HH1      ARG  79 -10.703  -0.306 -16.587
  224   1HH2  ARG  79          1HH2      ARG  79 -10.213   1.985 -14.041
  225   2HH2  ARG  79          2HH2      ARG  79 -11.231   1.489 -15.351
  226    H    ASN  80           H        ASN  80  -3.114   1.590 -16.601
  227    HA   ASN  80           HA       ASN  80  -0.948  -0.258 -15.683
  228   1HB   ASN  80          1HB       ASN  80  -1.903   0.638 -18.425
  229   2HB   ASN  80          2HB       ASN  80  -0.607  -0.525 -18.145
  230   1HD2  ASN  80          1HD2      ASN  80  -1.427  -2.333 -16.410
  231   2HD2  ASN  80          2HD2      ASN  80  -2.940  -3.003 -16.787
  232    H    CYS  81           H        CYS  81  -1.150   2.686 -15.082
  233    HA   CYS  81           HA       CYS  81   0.247   4.581 -15.050
  234   1HB   CYS  81          1HB       CYS  81   2.077   2.266 -15.671
  235   2HB   CYS  81          2HB       CYS  81   2.714   3.903 -15.535
  236    H    GLU  82           H        GLU  82  -1.253   4.311 -17.423
  237    HA   GLU  82           HA       GLU  82   0.662   4.974 -19.618
  238   1HB   GLU  82          1HB       GLU  82  -1.336   4.581 -21.048
  239   2HB   GLU  82          2HB       GLU  82  -0.994   3.199 -20.009
  240   1HG   GLU  82          1HG       GLU  82  -2.786   3.704 -18.547
  241   2HG   GLU  82          2HG       GLU  82  -2.932   5.353 -19.158
  242    H    THR  83           H        THR  83  -0.289   6.799 -17.305
  243    HA   THR  83           HA       THR  83  -1.072   9.091 -19.056
  244    HB   THR  83           HB       THR  83  -2.356   8.307 -16.418
  245    HG1  THR  83           HG1      THR  83  -3.345   8.237 -19.076
  246   1HG2  THR  83          1HG2      THR  83  -2.985  10.516 -18.397
  247   2HG2  THR  83          2HG2      THR  83  -3.952  10.118 -16.977
  248   3HG2  THR  83          3HG2      THR  83  -2.310  10.732 -16.782
  249    H    HIS  84           H        HIS  84   0.754  10.353 -18.790
  250    HA   HIS  84           HA       HIS  84   2.189  10.486 -16.228
  251   1HB   HIS  84          1HB       HIS  84   3.074  10.558 -18.673
  252   2HB   HIS  84          2HB       HIS  84   2.577  12.250 -18.647
  253    HD1  HIS  84           HD1      HIS  84   5.605  11.121 -18.690
  254    HD2  HIS  84           HD2      HIS  84   3.575  12.668 -15.393
  255    HE1  HIS  84           HE1      HIS  84   7.378  11.902 -17.059
  256    H    LYS  85           H        LYS  85   1.540  11.851 -14.622
  257    HA   LYS  85           HA       LYS  85  -0.375  14.023 -15.149
  258   1HB   LYS  85          1HB       LYS  85   0.993  12.834 -12.726
  259   2HB   LYS  85          2HB       LYS  85  -0.066  14.239 -12.603
  260   1HG   LYS  85          1HG       LYS  85  -0.950  11.694 -13.968
  261   2HG   LYS  85          2HG       LYS  85  -1.158  11.944 -12.234
  262   1HD   LYS  85          1HD       LYS  85  -2.759  13.570 -12.516
  263   2HD   LYS  85          2HD       LYS  85  -2.063  14.139 -14.034
  264   1HE   LYS  85          1HE       LYS  85  -2.824  11.654 -14.804
  265   2HE   LYS  85          2HE       LYS  85  -4.058  11.985 -13.571
  266   1HZ   LYS  85          1HZ       LYS  85  -3.287  13.913 -15.693
  267   2HZ   LYS  85          2HZ       LYS  85  -4.614  12.865 -15.819
  268   3HZ   LYS  85          3HZ       LYS  85  -4.582  14.049 -14.602
  269    H    ASP  86           H        ASP  86   0.090  16.245 -14.916
  270    HA   ASP  86           HA       ASP  86   2.810  17.117 -14.146
  271   1HB   ASP  86          1HB       ASP  86   2.659  16.398 -16.635
  272   2HB   ASP  86          2HB       ASP  86   1.701  17.864 -16.854
  273    H    ASP  87           H        ASP  87   0.348  17.633 -12.869
  274    HA   ASP  87           HA       ASP  87  -1.000  19.405 -12.076
  275   1HB   ASP  87          1HB       ASP  87   1.595  20.594 -12.998
  276   2HB   ASP  87          2HB       ASP  87   0.310  21.681 -12.469
  277    H    GLY  88           H        GLY  88  -1.669  21.862 -12.948
  278   1HA   GLY  88          1HA       GLY  88  -2.593  21.428 -15.763
  279   2HA   GLY  88          2HA       GLY  88  -3.570  22.239 -14.539
  280    H    SER  89           H        SER  89  -3.676  24.359 -15.100
  281    HA   SER  89           HA       SER  89  -1.392  25.707 -16.403
  282   1HB   SER  89          1HB       SER  89  -4.165  26.608 -15.558
  283   2HB   SER  89          2HB       SER  89  -3.053  27.562 -16.535
  284    HG   SER  89           HG       SER  89  -4.772  25.940 -17.466
  285    H    ALA  90           H        ALA  90  -3.215  25.896 -13.343
  286    HA   ALA  90           HA       ALA  90  -1.411  27.997 -12.296
  287   1HB   ALA  90          1HB       ALA  90  -3.874  28.026 -11.955
  288   2HB   ALA  90          2HB       ALA  90  -3.756  26.498 -11.080
  289   3HB   ALA  90          3HB       ALA  90  -3.009  27.953 -10.420
  Start of MODEL   16
    1   1H    SER  45          1H        SER  45  -8.741 -18.631 -14.403
    2   2H    SER  45          2H        SER  45  -9.327 -19.621 -13.153
    3   3H    SER  45          3H        SER  45 -10.411 -18.856 -14.214
    4    HA   SER  45           HA       SER  45  -9.834 -16.694 -13.351
    5   1HB   SER  45          1HB       SER  45 -11.616 -17.875 -12.257
    6   2HB   SER  45          2HB       SER  45 -10.483 -18.914 -11.397
    7    HG   SER  45           HG       SER  45 -11.449 -17.009 -10.259
    8    H    ASP  46           H        ASP  46  -8.388 -15.407 -12.165
    9    HA   ASP  46           HA       ASP  46  -6.319 -14.811 -11.189
   10   1HB   ASP  46          1HB       ASP  46  -6.969 -17.426  -9.792
   11   2HB   ASP  46          2HB       ASP  46  -5.741 -16.287  -9.241
   12    H    GLY  47           H        GLY  47  -6.019 -16.055 -13.701
   13   1HA   GLY  47          1HA       GLY  47  -4.077 -18.223 -13.549
   14   2HA   GLY  47          2HA       GLY  47  -4.527 -17.338 -15.008
   15    H    ASP  48           H        ASP  48  -3.386 -15.420 -15.537
   16    HA   ASP  48           HA       ASP  48  -1.016 -14.767 -13.826
   17   1HB   ASP  48          1HB       ASP  48  -0.868 -16.326 -16.039
   18   2HB   ASP  48          2HB       ASP  48  -0.709 -14.735 -16.784
   19    H    GLN  49           H        GLN  49  -1.572 -12.683 -13.228
   20    HA   GLN  49           HA       GLN  49  -2.804 -10.844 -15.207
   21   1HB   GLN  49          1HB       GLN  49  -2.138 -10.621 -12.252
   22   2HB   GLN  49          2HB       GLN  49  -3.035  -9.415 -13.174
   23   1HG   GLN  49          1HG       GLN  49  -4.801 -10.642 -12.323
   24   2HG   GLN  49          2HG       GLN  49  -4.518 -11.528 -13.823
   25   1HE2  GLN  49          2HE2      GLN  49  -3.603 -11.555 -10.342
   26   2HE2  GLN  49          1HE2      GLN  49  -3.374 -13.235 -10.261
   27    H    CYS  50           H        CYS  50   0.102 -11.068 -13.140
   28    HA   CYS  50           HA       CYS  50   1.318  -8.783 -14.637
   29   1HB   CYS  50          1HB       CYS  50   1.139  -8.714 -12.150
   30   2HB   CYS  50          2HB       CYS  50   2.117 -10.179 -12.060
   31    H    ALA  51           H        ALA  51   1.283 -10.946 -16.238
   32    HA   ALA  51           HA       ALA  51   3.586 -12.715 -15.857
   33   1HB   ALA  51          1HB       ALA  51   1.215 -12.838 -17.186
   34   2HB   ALA  51          2HB       ALA  51   2.296 -12.407 -18.511
   35   3HB   ALA  51          3HB       ALA  51   2.594 -13.870 -17.571
   36    H    SER  52           H        SER  52   2.788 -10.470 -18.540
   37    HA   SER  52           HA       SER  52   5.698 -10.114 -19.056
   38   1HB   SER  52          1HB       SER  52   4.270 -10.743 -20.917
   39   2HB   SER  52          2HB       SER  52   3.157  -9.425 -20.564
   40    HG   SER  52           HG       SER  52   5.726  -9.376 -21.688
   41    H    SER  53           H        SER  53   4.107  -8.761 -16.795
   42    HA   SER  53           HA       SER  53   3.954  -6.619 -15.806
   43   1HB   SER  53          1HB       SER  53   6.382  -6.892 -16.060
   44   2HB   SER  53          2HB       SER  53   6.296  -6.274 -17.706
   45    HG   SER  53           HG       SER  53   6.841  -4.784 -15.848
   46    HA   PRO  54           HA       PRO  54   1.702  -4.838 -19.433
   47   1HB   PRO  54          1HB       PRO  54  -0.626  -4.321 -18.095
   48   2HB   PRO  54          2HB       PRO  54  -0.271  -5.886 -18.851
   49   1HG   PRO  54          1HG       PRO  54  -0.085  -5.078 -15.993
   50   2HG   PRO  54          2HG       PRO  54  -0.630  -6.607 -16.702
   51   1HD   PRO  54          1HD       PRO  54   1.837  -6.252 -15.593
   52   2HD   PRO  54          2HD       PRO  54   1.494  -7.434 -16.877
   53    H    CYS  55           H        CYS  55   2.754  -3.714 -16.377
   54    HA   CYS  55           HA       CYS  55   1.625  -1.100 -16.226
   55   1HB   CYS  55          1HB       CYS  55   4.382  -2.095 -15.423
   56   2HB   CYS  55          2HB       CYS  55   3.590  -0.653 -14.793
   57    H    GLN  56           H        GLN  56   2.742   0.964 -16.762
   58    HA   GLN  56           HA       GLN  56   4.562   0.746 -19.137
   59   1HB   GLN  56          1HB       GLN  56   1.916   1.383 -19.229
   60   2HB   GLN  56          2HB       GLN  56   2.620   2.984 -19.003
   61   1HG   GLN  56          1HG       GLN  56   2.847   2.918 -21.274
   62   2HG   GLN  56          2HG       GLN  56   4.296   1.984 -20.898
   63   1HE2  GLN  56          2HE2      GLN  56   0.770   1.501 -21.499
   64   2HE2  GLN  56          1HE2      GLN  56   0.957  -0.012 -22.244
   65    H    ASN  57           H        ASN  57   5.404   3.134 -19.607
   66    HA   ASN  57           HA       ASN  57   6.838   4.857 -18.876
   67   1HB   ASN  57          1HB       ASN  57   4.518   4.824 -16.957
   68   2HB   ASN  57          2HB       ASN  57   5.824   5.991 -16.746
   69   1HD2  ASN  57          2HD2      ASN  57   3.052   6.643 -17.530
   70   2HD2  ASN  57          1HD2      ASN  57   3.141   7.357 -19.067
   71    H    GLY  58           H        GLY  58   7.737   2.267 -18.129
   72   1HA   GLY  58          1HA       GLY  58   9.286   1.244 -16.697
   73   2HA   GLY  58          2HA       GLY  58   9.677   2.872 -16.142
   74    H    GLY  59           H        GLY  59   6.427   1.593 -15.861
   75   1HA   GLY  59          1HA       GLY  59   6.461   2.024 -12.977
   76   2HA   GLY  59          2HA       GLY  59   5.098   1.413 -13.915
   77    H    SER  60           H        SER  60   6.309   0.400 -11.363
   78    HA   SER  60           HA       SER  60   7.479  -2.208 -12.131
   79   1HB   SER  60          1HB       SER  60   8.488  -1.229 -10.243
   80   2HB   SER  60          2HB       SER  60   6.952  -0.658  -9.602
   81    HG   SER  60           HG       SER  60   6.693  -2.512  -8.644
   82    H    CYS  61           H        CYS  61   6.290  -4.076 -12.244
   83    HA   CYS  61           HA       CYS  61   3.375  -3.930 -11.701
   84   1HB   CYS  61          1HB       CYS  61   4.290  -4.736 -13.866
   85   2HB   CYS  61          2HB       CYS  61   5.128  -6.032 -13.015
   86    H    LYS  62           H        LYS  62   2.384  -5.122 -10.100
   87    HA   LYS  62           HA       LYS  62   4.028  -7.090  -8.552
   88   1HB   LYS  62          1HB       LYS  62   3.473  -4.527  -7.732
   89   2HB   LYS  62          2HB       LYS  62   2.117  -5.415  -7.037
   90   1HG   LYS  62          1HG       LYS  62   3.670  -5.685  -5.344
   91   2HG   LYS  62          2HG       LYS  62   4.041  -7.106  -6.321
   92   1HD   LYS  62          1HD       LYS  62   5.647  -5.407  -7.578
   93   2HD   LYS  62          2HD       LYS  62   5.571  -4.548  -6.039
   94   1HE   LYS  62          1HE       LYS  62   6.739  -6.185  -4.918
   95   2HE   LYS  62          2HE       LYS  62   6.043  -7.492  -5.897
   96   1HZ   LYS  62          1HZ       LYS  62   7.969  -5.472  -6.918
   97   2HZ   LYS  62          2HZ       LYS  62   8.403  -7.038  -6.431
   98   3HZ   LYS  62          3HZ       LYS  62   7.368  -6.820  -7.760
   99    H    ASP  63           H        ASP  63   2.773  -8.807  -7.650
  100    HA   ASP  63           HA       ASP  63   0.118  -9.187  -8.921
  101   1HB   ASP  63          1HB       ASP  63   0.470 -11.524  -8.165
  102   2HB   ASP  63          2HB       ASP  63   1.863 -10.925  -9.063
  103    H    GLN  64           H        GLN  64  -1.770  -8.998  -7.781
  104    HA   GLN  64           HA       GLN  64  -1.639  -9.003  -4.783
  105   1HB   GLN  64          1HB       GLN  64  -2.862  -7.072  -6.750
  106   2HB   GLN  64          2HB       GLN  64  -3.508  -7.203  -5.114
  107   1HG   GLN  64          1HG       GLN  64  -0.591  -6.680  -5.758
  108   2HG   GLN  64          2HG       GLN  64  -1.758  -5.423  -5.341
  109   1HE2  GLN  64          2HE2      GLN  64   0.641  -7.217  -3.954
  110   2HE2  GLN  64          1HE2      GLN  64   0.062  -7.299  -2.360
  111    H    LEU  65           H        LEU  65  -2.379 -11.190  -6.584
  112    HA   LEU  65           HA       LEU  65  -4.067 -12.824  -6.782
  113   1HB   LEU  65          1HB       LEU  65  -4.256 -11.632  -4.239
  114   2HB   LEU  65          2HB       LEU  65  -5.913 -11.667  -4.839
  115    HG   LEU  65           HG       LEU  65  -5.382 -13.737  -3.611
  116   1HD1  LEU  65          1HD1      LEU  65  -6.807 -13.640  -5.803
  117   2HD1  LEU  65          2HD1      LEU  65  -5.454 -14.518  -6.515
  118   3HD1  LEU  65          3HD1      LEU  65  -6.339 -15.213  -5.156
  119   1HD2  LEU  65          1HD2      LEU  65  -2.881 -13.554  -4.366
  120   2HD2  LEU  65          2HD2      LEU  65  -3.594 -15.154  -4.160
  121   3HD2  LEU  65          3HD2      LEU  65  -3.419 -14.467  -5.775
  122    H    GLN  66           H        GLN  66  -6.152 -13.106  -7.784
  123    HA   GLN  66           HA       GLN  66  -7.923 -12.504  -9.212
  124   1HB   GLN  66          1HB       GLN  66  -7.888 -10.673  -6.950
  125   2HB   GLN  66          2HB       GLN  66  -8.518  -9.869  -8.388
  126   1HG   GLN  66          1HG       GLN  66  -9.482 -12.609  -7.565
  127   2HG   GLN  66          2HG       GLN  66 -10.211 -11.141  -6.914
  128   1HE2  GLN  66          2HE2      GLN  66  -9.935 -13.155  -9.776
  129   2HE2  GLN  66          1HE2      GLN  66 -11.015 -12.266 -10.738
  130    H    SER  67           H        SER  67  -6.690  -9.185  -8.806
  131    HA   SER  67           HA       SER  67  -6.023  -9.173 -11.729
  132   1HB   SER  67          1HB       SER  67  -6.638  -6.835 -11.642
  133   2HB   SER  67          2HB       SER  67  -7.895  -7.735 -10.798
  134    HG   SER  67           HG       SER  67  -7.059  -5.834  -9.686
  135    H    TYR  68           H        TYR  68  -4.591  -6.682 -11.577
  136    HA   TYR  68           HA       TYR  68  -2.192  -7.439  -9.941
  137   1HB   TYR  68          1HB       TYR  68  -0.844  -6.673 -11.897
  138   2HB   TYR  68          2HB       TYR  68  -1.888  -8.033 -12.304
  139    HD1  TYR  68           HD1      TYR  68  -3.929  -7.696 -13.658
  140    HD2  TYR  68           HD2      TYR  68  -1.242  -4.456 -12.804
  141    HE1  TYR  68           HE1      TYR  68  -4.992  -6.343 -15.444
  142    HE2  TYR  68           HE2      TYR  68  -2.305  -3.104 -14.588
  143    HH   TYR  68           HH       TYR  68  -5.259  -3.986 -16.049
  144    H    ILE  69           H        ILE  69  -0.636  -5.456  -9.866
  145    HA   ILE  69           HA       ILE  69  -2.137  -2.875  -9.770
  146    HB   ILE  69           HB       ILE  69  -2.213  -3.943  -7.545
  147   1HG1  ILE  69          1HG1      ILE  69  -0.186  -1.686  -7.579
  148   2HG1  ILE  69          2HG1      ILE  69  -1.926  -1.458  -7.760
  149   1HG2  ILE  69          1HG2      ILE  69  -0.067  -5.270  -7.962
  150   2HG2  ILE  69          2HG2      ILE  69   0.807  -3.805  -7.521
  151   3HG2  ILE  69          3HG2      ILE  69  -0.253  -4.586  -6.350
  152   1HD1  ILE  69          1HD1      ILE  69  -0.884  -3.021  -5.418
  153   2HD1  ILE  69          2HD1      ILE  69  -0.832  -1.259  -5.376
  154   3HD1  ILE  69          3HD1      ILE  69  -2.376  -2.091  -5.562
  155    H    CYS  70           H        CYS  70  -0.958  -1.427 -10.940
  156    HA   CYS  70           HA       CYS  70   1.927  -1.923 -11.428
  157   1HB   CYS  70          1HB       CYS  70  -0.254  -0.199 -12.590
  158   2HB   CYS  70          2HB       CYS  70   1.435   0.118 -12.984
  159    H    PHE  71           H        PHE  71   3.516  -0.670 -10.518
  160    HA   PHE  71           HA       PHE  71   2.698   1.514  -8.658
  161   1HB   PHE  71          1HB       PHE  71   5.094  -0.274  -9.043
  162   2HB   PHE  71          2HB       PHE  71   5.228   1.188  -8.066
  163    HD1  PHE  71           HD1      PHE  71   3.548  -2.093  -8.385
  164    HD2  PHE  71           HD2      PHE  71   4.126   1.379  -5.923
  165    HE1  PHE  71           HE1      PHE  71   2.490  -3.271  -6.475
  166    HE2  PHE  71           HE2      PHE  71   3.067   0.202  -4.015
  167    HZ   PHE  71           HZ       PHE  71   2.249  -2.124  -4.290
  168    H    CYS  72           H        CYS  72   2.328   3.130 -10.311
  169    HA   CYS  72           HA       CYS  72   4.234   3.808 -12.359
  170   1HB   CYS  72          1HB       CYS  72   2.125   5.516 -10.993
  171   2HB   CYS  72          2HB       CYS  72   2.836   5.819 -12.575
  172    H    LEU  73           H        LEU  73   5.227   6.094 -12.393
  173    HA   LEU  73           HA       LEU  73   7.061   6.368 -10.142
  174   1HB   LEU  73          1HB       LEU  73   6.504   7.726 -12.772
  175   2HB   LEU  73          2HB       LEU  73   7.596   8.497 -11.630
  176    HG   LEU  73           HG       LEU  73   8.849   7.096 -13.216
  177   1HD1  LEU  73          1HD1      LEU  73   9.478   7.280 -10.724
  178   2HD1  LEU  73          2HD1      LEU  73   8.855   5.638 -10.576
  179   3HD1  LEU  73          3HD1      LEU  73  10.214   5.972 -11.648
  180   1HD2  LEU  73          1HD2      LEU  73   6.927   5.487 -13.590
  181   2HD2  LEU  73          2HD2      LEU  73   8.502   4.721 -13.387
  182   3HD2  LEU  73          3HD2      LEU  73   7.350   4.736 -12.051
  183    HA   PRO  74           HA       PRO  74   4.922   9.391  -7.761
  184   1HB   PRO  74          1HB       PRO  74   6.764  11.376  -7.308
  185   2HB   PRO  74          2HB       PRO  74   6.807   9.798  -6.495
  186   1HG   PRO  74          1HG       PRO  74   8.361  10.751  -8.857
  187   2HG   PRO  74          2HG       PRO  74   8.900   9.798  -7.463
  188   1HD   PRO  74          1HD       PRO  74   8.370   8.669  -9.848
  189   2HD   PRO  74          2HD       PRO  74   8.061   7.825  -8.317
  190    H    ALA  75           H        ALA  75   6.202  10.280 -10.843
  191    HA   ALA  75           HA       ALA  75   4.520  12.762 -10.885
  192   1HB   ALA  75          1HB       ALA  75   7.024  12.913 -11.226
  193   2HB   ALA  75          2HB       ALA  75   6.818  11.952 -12.691
  194   3HB   ALA  75          3HB       ALA  75   6.074  13.546 -12.569
  195    H    PHE  76           H        PHE  76   3.767   9.820 -11.411
  196    HA   PHE  76           HA       PHE  76   2.583  10.270 -14.127
  197   1HB   PHE  76          1HB       PHE  76   4.140   7.952 -12.999
  198   2HB   PHE  76          2HB       PHE  76   2.976   7.688 -14.297
  199    HD1  PHE  76           HD1      PHE  76   6.031   9.593 -13.347
  200    HD2  PHE  76           HD2      PHE  76   3.451   8.328 -16.539
  201    HE1  PHE  76           HE1      PHE  76   7.688  10.401 -15.006
  202    HE2  PHE  76           HE2      PHE  76   5.107   9.134 -18.198
  203    HZ   PHE  76           HZ       PHE  76   7.225  10.170 -17.433
  204    H    GLU  77           H        GLU  77   0.638   8.871 -14.479
  205    HA   GLU  77           HA       GLU  77  -0.647   7.773 -12.036
  206   1HB   GLU  77          1HB       GLU  77  -1.002  10.389 -12.683
  207   2HB   GLU  77          2HB       GLU  77  -2.296   9.658 -13.634
  208   1HG   GLU  77          1HG       GLU  77  -3.212   8.579 -11.659
  209   2HG   GLU  77          2HG       GLU  77  -1.852   9.133 -10.681
  210    H    GLY  78           H        GLY  78  -2.885   6.838 -12.711
  211   1HA   GLY  78          1HA       GLY  78  -4.267   6.036 -14.619
  212   2HA   GLY  78          2HA       GLY  78  -2.768   5.823 -15.524
  213    H    ARG  79           H        ARG  79  -4.737   3.763 -15.011
  214    HA   ARG  79           HA       ARG  79  -4.036   2.009 -12.865
  215   1HB   ARG  79          1HB       ARG  79  -6.080   1.902 -14.287
  216   2HB   ARG  79          2HB       ARG  79  -5.084   1.378 -15.645
  217   1HG   ARG  79          1HG       ARG  79  -5.667  -0.700 -14.869
  218   2HG   ARG  79          2HG       ARG  79  -4.284  -0.426 -13.810
  219   1HD   ARG  79          1HD       ARG  79  -6.867   0.693 -12.850
  220   2HD   ARG  79          2HD       ARG  79  -6.735  -1.079 -12.853
  221    HE   ARG  79           HE       ARG  79  -4.404   0.364 -11.769
  222   1HH1  ARG  79          1HH1      ARG  79  -7.522  -0.980 -10.995
  223   2HH1  ARG  79          2HH1      ARG  79  -7.033  -1.480  -9.412
  224   1HH2  ARG  79          1HH2      ARG  79  -3.759  -0.421  -9.759
  225   2HH2  ARG  79          2HH2      ARG  79  -4.925  -1.166  -8.717
  226    H    ASN  80           H        ASN  80  -2.915   2.086 -16.262
  227    HA   ASN  80           HA       ASN  80  -0.724   0.177 -15.545
  228   1HB   ASN  80          1HB       ASN  80  -2.185   0.976 -18.059
  229   2HB   ASN  80          2HB       ASN  80  -0.623   0.163 -18.160
  230   1HD2  ASN  80          2HD2      ASN  80  -0.525  -2.085 -17.591
  231   2HD2  ASN  80          1HD2      ASN  80  -1.906  -2.996 -17.211
  232    H    CYS  81           H        CYS  81  -0.773   3.128 -14.954
  233    HA   CYS  81           HA       CYS  81   0.699   4.968 -15.068
  234   1HB   CYS  81          1HB       CYS  81   2.549   2.867 -16.249
  235   2HB   CYS  81          2HB       CYS  81   3.039   4.372 -15.479
  236    H    GLU  82           H        GLU  82  -1.087   5.034 -17.115
  237    HA   GLU  82           HA       GLU  82   0.540   5.595 -19.572
  238   1HB   GLU  82          1HB       GLU  82  -1.617   5.201 -20.754
  239   2HB   GLU  82          2HB       GLU  82  -1.135   3.808 -19.786
  240   1HG   GLU  82          1HG       GLU  82  -2.710   4.332 -18.068
  241   2HG   GLU  82          2HG       GLU  82  -3.002   5.941 -18.729
  242    H    THR  83           H        THR  83  -0.145   7.380 -17.142
  243    HA   THR  83           HA       THR  83  -1.100   9.703 -18.751
  244    HB   THR  83           HB       THR  83  -2.185   8.817 -16.056
  245    HG1  THR  83           HG1      THR  83  -3.811   7.995 -17.143
  246   1HG2  THR  83          1HG2      THR  83  -2.462  11.276 -17.706
  247   2HG2  THR  83          2HG2      THR  83  -3.935  10.653 -16.962
  248   3HG2  THR  83          3HG2      THR  83  -2.550  11.079 -15.956
  249    H    HIS  84           H        HIS  84  -0.229  11.690 -18.010
  250    HA   HIS  84           HA       HIS  84   2.028  11.444 -16.083
  251   1HB   HIS  84          1HB       HIS  84   2.235  12.386 -18.430
  252   2HB   HIS  84          2HB       HIS  84   1.229  13.735 -17.902
  253    HD1  HIS  84           HD1      HIS  84   4.683  12.721 -18.109
  254    HD2  HIS  84           HD2      HIS  84   2.461  15.055 -15.463
  255    HE1  HIS  84           HE1      HIS  84   6.351  14.111 -16.804
  256    H    LYS  85           H        LYS  85   1.896  12.356 -14.069
  257    HA   LYS  85           HA       LYS  85  -0.538  13.384 -12.982
  258   1HB   LYS  85          1HB       LYS  85   2.373  13.430 -12.179
  259   2HB   LYS  85          2HB       LYS  85   1.139  14.170 -11.160
  260   1HG   LYS  85          1HG       LYS  85   0.639  11.398 -12.153
  261   2HG   LYS  85          2HG       LYS  85   1.827  11.607 -10.866
  262   1HD   LYS  85          1HD       LYS  85  -0.133  13.177  -9.893
  263   2HD   LYS  85          2HD       LYS  85  -1.117  12.041 -10.817
  264   1HE   LYS  85          1HE       LYS  85  -0.035  10.145  -9.642
  265   2HE   LYS  85          2HE       LYS  85   0.932  11.294  -8.696
  266   1HZ   LYS  85          1HZ       LYS  85  -1.210  12.373  -8.062
  267   2HZ   LYS  85          2HZ       LYS  85  -2.028  11.062  -8.771
  268   3HZ   LYS  85          3HZ       LYS  85  -1.010  10.810  -7.434
  269    H    ASP  86           H        ASP  86  -1.457  15.278 -13.677
  270    HA   ASP  86           HA       ASP  86   0.336  17.617 -14.233
  271   1HB   ASP  86          1HB       ASP  86  -1.565  18.372 -15.656
  272   2HB   ASP  86          2HB       ASP  86  -0.972  16.784 -16.140
  273    H    ASP  87           H        ASP  87  -2.690  16.604 -12.656
  274    HA   ASP  87           HA       ASP  87  -2.399  18.777 -10.674
  275   1HB   ASP  87          1HB       ASP  87  -3.593  19.634 -12.770
  276   2HB   ASP  87          2HB       ASP  87  -4.907  18.533 -12.352
  277    H    GLY  88           H        GLY  88  -3.409  18.224  -8.727
  278   1HA   GLY  88          1HA       GLY  88  -4.510  16.881  -7.150
  279   2HA   GLY  88          2HA       GLY  88  -5.578  16.376  -8.461
  280    H    SER  89           H        SER  89  -5.206  14.328  -6.968
  281    HA   SER  89           HA       SER  89  -3.168  12.653  -8.359
  282   1HB   SER  89          1HB       SER  89  -3.520  12.925  -5.356
  283   2HB   SER  89          2HB       SER  89  -2.420  11.803  -6.152
  284    HG   SER  89           HG       SER  89  -1.363  13.729  -5.539
  285    H    ALA  90           H        ALA  90  -3.528  10.259  -7.518
  286    HA   ALA  90           HA       ALA  90  -6.487   9.766  -7.452
  287   1HB   ALA  90          1HB       ALA  90  -4.770   9.079  -9.375
  288   2HB   ALA  90          2HB       ALA  90  -4.467   7.720  -8.292
  289   3HB   ALA  90          3HB       ALA  90  -6.091   8.006  -8.915
  Start of MODEL   17
    1   1H    SER  45          1H        SER  45  -1.440 -19.711 -11.734
    2   2H    SER  45          2H        SER  45  -0.077 -18.753 -11.399
    3   3H    SER  45          3H        SER  45   0.054 -20.444 -11.392
    4    HA   SER  45           HA       SER  45  -1.224 -20.649  -9.420
    5   1HB   SER  45          1HB       SER  45   1.122 -20.050  -9.158
    6   2HB   SER  45          2HB       SER  45   0.750 -18.344  -9.393
    7    HG   SER  45           HG       SER  45   0.679 -19.795  -7.147
    8    H    ASP  46           H        ASP  46  -1.165 -17.280 -10.600
    9    HA   ASP  46           HA       ASP  46  -3.652 -16.751  -9.006
   10   1HB   ASP  46          1HB       ASP  46  -2.870 -14.384  -9.073
   11   2HB   ASP  46          2HB       ASP  46  -1.680 -15.450  -8.327
   12    H    GLY  47           H        GLY  47  -2.019 -16.211 -12.125
   13   1HA   GLY  47          1HA       GLY  47  -3.947 -16.645 -13.942
   14   2HA   GLY  47          2HA       GLY  47  -4.496 -15.098 -13.296
   15    H    ASP  48           H        ASP  48  -4.078 -14.474 -15.644
   16    HA   ASP  48           HA       ASP  48  -1.200 -14.043 -16.276
   17   1HB   ASP  48          1HB       ASP  48  -3.750 -14.391 -17.699
   18   2HB   ASP  48          2HB       ASP  48  -2.759 -13.096 -18.367
   19    H    GLN  49           H        GLN  49  -2.668 -12.481 -14.174
   20    HA   GLN  49           HA       GLN  49  -3.378  -9.869 -15.109
   21   1HB   GLN  49          1HB       GLN  49  -2.318 -10.969 -12.493
   22   2HB   GLN  49          2HB       GLN  49  -2.838  -9.294 -12.677
   23   1HG   GLN  49          1HG       GLN  49  -4.869 -10.141 -12.059
   24   2HG   GLN  49          2HG       GLN  49  -4.972 -10.567 -13.767
   25   1HE2  GLN  49          2HE2      GLN  49  -3.163 -12.037 -11.004
   26   2HE2  GLN  49          1HE2      GLN  49  -3.774 -13.601 -11.249
   27    H    CYS  50           H        CYS  50  -0.327 -10.951 -13.562
   28    HA   CYS  50           HA       CYS  50   1.063  -8.629 -14.849
   29   1HB   CYS  50          1HB       CYS  50   0.979  -8.795 -12.354
   30   2HB   CYS  50          2HB       CYS  50   1.821 -10.341 -12.458
   31    H    ALA  51           H        ALA  51   0.760 -10.568 -16.663
   32    HA   ALA  51           HA       ALA  51   2.961 -12.538 -16.524
   33   1HB   ALA  51          1HB       ALA  51   0.494 -12.023 -18.069
   34   2HB   ALA  51          2HB       ALA  51   1.807 -12.740 -19.003
   35   3HB   ALA  51          3HB       ALA  51   1.201 -13.558 -17.562
   36    H    SER  52           H        SER  52   1.923 -10.106 -18.959
   37    HA   SER  52           HA       SER  52   4.705  -9.974 -19.991
   38   1HB   SER  52          1HB       SER  52   3.644  -8.887 -21.875
   39   2HB   SER  52          2HB       SER  52   2.634 -10.255 -21.417
   40    HG   SER  52           HG       SER  52   1.108  -8.847 -21.159
   41    H    SER  53           H        SER  53   3.716  -8.684 -17.355
   42    HA   SER  53           HA       SER  53   4.016  -6.647 -16.196
   43   1HB   SER  53          1HB       SER  53   6.308  -7.116 -16.791
   44   2HB   SER  53          2HB       SER  53   6.058  -6.531 -18.433
   45    HG   SER  53           HG       SER  53   6.883  -5.151 -16.385
   46    HA   PRO  54           HA       PRO  54   1.487  -4.264 -19.267
   47   1HB   PRO  54          1HB       PRO  54  -0.578  -3.697 -17.565
   48   2HB   PRO  54          2HB       PRO  54  -0.497  -5.187 -18.527
   49   1HG   PRO  54          1HG       PRO  54   0.143  -4.750 -15.655
   50   2HG   PRO  54          2HG       PRO  54  -0.651  -6.125 -16.439
   51   1HD   PRO  54          1HD       PRO  54   1.963  -6.133 -15.656
   52   2HD   PRO  54          2HD       PRO  54   1.331  -7.119 -16.992
   53    H    CYS  55           H        CYS  55   2.745  -3.654 -16.078
   54    HA   CYS  55           HA       CYS  55   2.052  -0.915 -15.701
   55   1HB   CYS  55          1HB       CYS  55   4.578  -2.424 -14.941
   56   2HB   CYS  55          2HB       CYS  55   4.014  -0.931 -14.194
   57    H    GLN  56           H        GLN  56   2.639   0.852 -16.889
   58    HA   GLN  56           HA       GLN  56   4.913   0.619 -18.813
   59   1HB   GLN  56          1HB       GLN  56   2.304   2.002 -18.634
   60   2HB   GLN  56          2HB       GLN  56   3.597   2.968 -19.344
   61   1HG   GLN  56          1HG       GLN  56   2.614   1.812 -21.173
   62   2HG   GLN  56          2HG       GLN  56   4.098   0.927 -20.816
   63   1HE2  GLN  56          1HE2      GLN  56   0.588   0.891 -19.982
   64   2HE2  GLN  56          2HE2      GLN  56   0.491  -0.797 -19.836
   65    H    ASN  57           H        ASN  57   5.653   3.183 -19.177
   66    HA   ASN  57           HA       ASN  57   7.080   4.852 -18.321
   67   1HB   ASN  57          1HB       ASN  57   4.835   4.550 -16.340
   68   2HB   ASN  57          2HB       ASN  57   6.116   5.731 -16.054
   69   1HD2  ASN  57          2HD2      ASN  57   3.080   5.649 -17.239
   70   2HD2  ASN  57          1HD2      ASN  57   3.189   6.820 -18.463
   71    H    GLY  58           H        GLY  58   7.860   2.064 -17.731
   72   1HA   GLY  58          1HA       GLY  58   9.480   0.951 -16.448
   73   2HA   GLY  58          2HA       GLY  58   9.997   2.547 -15.908
   74    H    GLY  59           H        GLY  59   6.812   1.058 -15.430
   75   1HA   GLY  59          1HA       GLY  59   7.077   1.549 -12.525
   76   2HA   GLY  59          2HA       GLY  59   5.594   1.098 -13.366
   77    H    SER  60           H        SER  60   6.687  -0.156 -10.968
   78    HA   SER  60           HA       SER  60   7.727  -2.781 -11.857
   79   1HB   SER  60          1HB       SER  60   8.722  -1.940  -9.884
   80   2HB   SER  60          2HB       SER  60   7.183  -1.372  -9.245
   81    HG   SER  60           HG       SER  60   7.901  -4.092  -9.658
   82    H    CYS  61           H        CYS  61   6.464  -4.624 -11.977
   83    HA   CYS  61           HA       CYS  61   3.536  -4.301 -11.507
   84   1HB   CYS  61          1HB       CYS  61   4.431  -4.955 -13.738
   85   2HB   CYS  61          2HB       CYS  61   5.145  -6.392 -13.007
   86    H    LYS  62           H        LYS  62   2.575  -5.357  -9.838
   87    HA   LYS  62           HA       LYS  62   4.031  -7.644  -8.546
   88   1HB   LYS  62          1HB       LYS  62   2.972  -5.081  -7.530
   89   2HB   LYS  62          2HB       LYS  62   2.506  -6.481  -6.565
   90   1HG   LYS  62          1HG       LYS  62   5.352  -6.335  -7.429
   91   2HG   LYS  62          2HG       LYS  62   4.837  -5.190  -6.189
   92   1HD   LYS  62          1HD       LYS  62   5.407  -6.986  -4.846
   93   2HD   LYS  62          2HD       LYS  62   3.711  -7.366  -5.148
   94   1HE   LYS  62          1HE       LYS  62   4.340  -8.874  -6.981
   95   2HE   LYS  62          2HE       LYS  62   6.050  -8.457  -6.757
   96   1HZ   LYS  62          1HZ       LYS  62   4.275  -9.622  -4.676
   97   2HZ   LYS  62          2HZ       LYS  62   5.468 -10.474  -5.534
   98   3HZ   LYS  62          3HZ       LYS  62   5.910  -9.223  -4.473
   99    H    ASP  63           H        ASP  63   2.718  -9.417  -8.020
  100    HA   ASP  63           HA       ASP  63   0.041  -9.487  -9.247
  101   1HB   ASP  63          1HB       ASP  63   0.224 -11.895  -8.672
  102   2HB   ASP  63          2HB       ASP  63   1.661 -11.321  -9.514
  103    H    GLN  64           H        GLN  64  -1.663  -8.730  -8.064
  104    HA   GLN  64           HA       GLN  64  -1.604  -8.942  -5.089
  105   1HB   GLN  64          1HB       GLN  64  -3.089  -7.317  -7.152
  106   2HB   GLN  64          2HB       GLN  64  -3.693  -7.420  -5.498
  107   1HG   GLN  64          1HG       GLN  64  -1.046  -6.894  -5.051
  108   2HG   GLN  64          2HG       GLN  64  -1.315  -6.015  -6.556
  109   1HE2  GLN  64          2HE2      GLN  64  -3.842  -4.988  -6.338
  110   2HE2  GLN  64          1HE2      GLN  64  -3.991  -4.008  -4.960
  111    H    LEU  65           H        LEU  65  -2.015 -11.390  -6.415
  112    HA   LEU  65           HA       LEU  65  -3.472 -13.231  -6.461
  113   1HB   LEU  65          1HB       LEU  65  -4.231 -11.483  -4.238
  114   2HB   LEU  65          2HB       LEU  65  -5.592 -12.439  -4.816
  115    HG   LEU  65           HG       LEU  65  -4.379 -13.646  -3.053
  116   1HD1  LEU  65          1HD1      LEU  65  -5.235 -14.697  -5.394
  117   2HD1  LEU  65          2HD1      LEU  65  -3.539 -15.175  -5.457
  118   3HD1  LEU  65          3HD1      LEU  65  -4.546 -15.674  -4.098
  119   1HD2  LEU  65          1HD2      LEU  65  -2.061 -12.841  -4.714
  120   2HD2  LEU  65          2HD2      LEU  65  -2.157 -13.134  -2.979
  121   3HD2  LEU  65          3HD2      LEU  65  -1.999 -14.490  -4.093
  122    H    GLN  66           H        GLN  66  -6.094 -10.877  -5.955
  123    HA   GLN  66           HA       GLN  66  -7.699 -11.861  -8.098
  124   1HB   GLN  66          1HB       GLN  66  -7.605  -9.523  -6.265
  125   2HB   GLN  66          2HB       GLN  66  -8.587  -9.322  -7.716
  126   1HG   GLN  66          1HG       GLN  66  -8.902 -11.891  -6.249
  127   2HG   GLN  66          2HG       GLN  66  -9.548 -10.450  -5.463
  128   1HE2  GLN  66          2HE2      GLN  66  -9.388 -11.243  -8.972
  129   2HE2  GLN  66          1HE2      GLN  66 -11.064 -11.136  -9.224
  130    H    SER  67           H        SER  67  -6.310  -8.568  -8.021
  131    HA   SER  67           HA       SER  67  -5.853  -8.783 -10.979
  132   1HB   SER  67          1HB       SER  67  -7.589  -7.186 -10.174
  133   2HB   SER  67          2HB       SER  67  -6.365  -6.372  -9.205
  134    HG   SER  67           HG       SER  67  -6.388  -5.261 -11.075
  135    H    TYR  68           H        TYR  68  -4.256  -6.530 -11.283
  136    HA   TYR  68           HA       TYR  68  -1.763  -7.318  -9.813
  137   1HB   TYR  68          1HB       TYR  68  -0.630  -6.369 -11.837
  138   2HB   TYR  68          2HB       TYR  68  -1.714  -7.703 -12.230
  139    HD1  TYR  68           HD1      TYR  68  -1.509  -3.974 -12.092
  140    HD2  TYR  68           HD2      TYR  68  -3.518  -7.398 -13.732
  141    HE1  TYR  68           HE1      TYR  68  -2.769  -2.497 -13.633
  142    HE2  TYR  68           HE2      TYR  68  -4.778  -5.921 -15.272
  143    HH   TYR  68           HH       TYR  68  -4.331  -3.538 -16.309
  144    H    ILE  69           H        ILE  69  -0.163  -5.379  -9.726
  145    HA   ILE  69           HA       ILE  69  -1.551  -2.778  -9.287
  146    HB   ILE  69           HB       ILE  69  -1.540  -4.067  -7.169
  147   1HG1  ILE  69          1HG1      ILE  69   0.583  -1.987  -6.795
  148   2HG1  ILE  69          2HG1      ILE  69  -0.987  -1.488  -7.424
  149   1HG2  ILE  69          1HG2      ILE  69   0.717  -5.222  -7.940
  150   2HG2  ILE  69          2HG2      ILE  69   1.448  -3.882  -7.060
  151   3HG2  ILE  69          3HG2      ILE  69   0.367  -4.997  -6.227
  152   1HD1  ILE  69          1HD1      ILE  69  -1.031  -3.309  -5.075
  153   2HD1  ILE  69          2HD1      ILE  69  -0.470  -1.661  -4.780
  154   3HD1  ILE  69          3HD1      ILE  69  -2.074  -1.939  -5.458
  155    H    CYS  70           H        CYS  70  -0.377  -1.297 -10.435
  156    HA   CYS  70           HA       CYS  70   2.473  -1.853 -11.058
  157   1HB   CYS  70          1HB       CYS  70   0.382   0.106 -12.037
  158   2HB   CYS  70          2HB       CYS  70   2.061   0.171 -12.570
  159    H    PHE  71           H        PHE  71   4.124  -0.709 -10.125
  160    HA   PHE  71           HA       PHE  71   3.413   1.536  -8.269
  161   1HB   PHE  71          1HB       PHE  71   5.576  -0.562  -8.404
  162   2HB   PHE  71          2HB       PHE  71   5.810   0.894  -7.436
  163    HD1  PHE  71           HD1      PHE  71   3.567   1.535  -6.015
  164    HD2  PHE  71           HD2      PHE  71   4.732  -2.405  -7.267
  165    HE1  PHE  71           HE1      PHE  71   2.191   0.552  -4.201
  166    HE2  PHE  71           HE2      PHE  71   3.356  -3.388  -5.454
  167    HZ   PHE  71           HZ       PHE  71   2.085  -1.910  -3.920
  168    H    CYS  72           H        CYS  72   3.461   3.224  -9.849
  169    HA   CYS  72           HA       CYS  72   5.988   3.585 -11.397
  170   1HB   CYS  72          1HB       CYS  72   3.219   4.809 -11.558
  171   2HB   CYS  72          2HB       CYS  72   4.545   5.210 -12.650
  172    H    LEU  73           H        LEU  73   5.992   6.274 -11.784
  173    HA   LEU  73           HA       LEU  73   6.992   7.316  -9.242
  174   1HB   LEU  73          1HB       LEU  73   6.990   7.961 -12.115
  175   2HB   LEU  73          2HB       LEU  73   6.940   9.388 -11.080
  176    HG   LEU  73           HG       LEU  73   8.884   8.395  -9.800
  177   1HD1  LEU  73          1HD1      LEU  73   8.854   6.492 -12.162
  178   2HD1  LEU  73          2HD1      LEU  73  10.184   6.641 -11.016
  179   3HD1  LEU  73          3HD1      LEU  73   8.611   6.061 -10.470
  180   1HD2  LEU  73          1HD2      LEU  73   9.034  10.117 -11.692
  181   2HD2  LEU  73          2HD2      LEU  73  10.506   9.204 -11.356
  182   3HD2  LEU  73          3HD2      LEU  73   9.497   8.773 -12.738
  183    HA   PRO  74           HA       PRO  74   3.373   9.387  -7.848
  184   1HB   PRO  74          1HB       PRO  74   4.354  11.775  -6.921
  185   2HB   PRO  74          2HB       PRO  74   4.562  10.234  -6.064
  186   1HG   PRO  74          1HG       PRO  74   6.470  11.673  -7.854
  187   2HG   PRO  74          2HG       PRO  74   6.773  10.859  -6.309
  188   1HD   PRO  74          1HD       PRO  74   7.374   9.703  -8.662
  189   2HD   PRO  74          2HD       PRO  74   6.803   8.756  -7.268
  190    H    ALA  75           H        ALA  75   5.257  10.738 -10.405
  191    HA   ALA  75           HA       ALA  75   3.262  12.873 -10.966
  192   1HB   ALA  75          1HB       ALA  75   5.962  12.820 -11.074
  193   2HB   ALA  75          2HB       ALA  75   5.599  12.330 -12.730
  194   3HB   ALA  75          3HB       ALA  75   4.993  13.867 -12.111
  195    H    PHE  76           H        PHE  76   2.938   9.774 -11.377
  196    HA   PHE  76           HA       PHE  76   2.172   9.929 -14.280
  197   1HB   PHE  76          1HB       PHE  76   3.251   7.676 -12.565
  198   2HB   PHE  76          2HB       PHE  76   2.610   7.427 -14.188
  199    HD1  PHE  76           HD1      PHE  76   5.081   9.545 -12.325
  200    HD2  PHE  76           HD2      PHE  76   4.030   7.652 -16.034
  201    HE1  PHE  76           HE1      PHE  76   7.257  10.230 -13.288
  202    HE2  PHE  76           HE2      PHE  76   6.213   8.336 -16.998
  203    HZ   PHE  76           HZ       PHE  76   7.826   9.624 -15.620
  204    H    GLU  77           H        GLU  77   0.270   8.575 -14.837
  205    HA   GLU  77           HA       GLU  77  -1.488   7.766 -12.583
  206   1HB   GLU  77          1HB       GLU  77  -1.607  10.305 -13.589
  207   2HB   GLU  77          2HB       GLU  77  -2.769   9.483 -14.630
  208   1HG   GLU  77          1HG       GLU  77  -4.067  10.198 -12.788
  209   2HG   GLU  77          2HG       GLU  77  -3.739   8.500 -12.441
  210    H    GLY  78           H        GLY  78  -3.571   6.780 -13.527
  211   1HA   GLY  78          1HA       GLY  78  -4.666   5.765 -15.498
  212   2HA   GLY  78          2HA       GLY  78  -3.061   5.524 -16.192
  213    H    ARG  79           H        ARG  79  -5.174   3.513 -15.602
  214    HA   ARG  79           HA       ARG  79  -4.595   1.940 -13.297
  215   1HB   ARG  79          1HB       ARG  79  -6.541   1.699 -14.832
  216   2HB   ARG  79          2HB       ARG  79  -5.460   1.070 -16.077
  217   1HG   ARG  79          1HG       ARG  79  -5.201  -0.954 -15.024
  218   2HG   ARG  79          2HG       ARG  79  -5.331  -0.250 -13.412
  219   1HD   ARG  79          1HD       ARG  79  -7.851   0.218 -14.354
  220   2HD   ARG  79          2HD       ARG  79  -7.465  -1.308 -15.173
  221    HE   ARG  79           HE       ARG  79  -6.732  -1.214 -12.326
  222   1HH1  ARG  79          1HH1      ARG  79  -9.349  -1.830 -14.541
  223   2HH1  ARG  79          2HH1      ARG  79 -10.011  -3.103 -13.574
  224   1HH2  ARG  79          1HH2      ARG  79  -7.537  -2.966 -11.161
  225   2HH2  ARG  79          2HH2      ARG  79  -8.997  -3.740 -11.678
  226    H    ASN  80           H        ASN  80  -3.241   1.764 -16.597
  227    HA   ASN  80           HA       ASN  80  -1.123  -0.102 -15.609
  228   1HB   ASN  80          1HB       ASN  80  -2.358   0.594 -18.272
  229   2HB   ASN  80          2HB       ASN  80  -0.798  -0.227 -18.202
  230   1HD2  ASN  80          2HD2      ASN  80  -1.813  -2.190 -19.129
  231   2HD2  ASN  80          1HD2      ASN  80  -2.788  -3.189 -18.164
  232    H    CYS  81           H        CYS  81  -1.221   2.883 -15.165
  233    HA   CYS  81           HA       CYS  81   0.236   4.732 -15.264
  234   1HB   CYS  81          1HB       CYS  81   1.991   2.324 -15.740
  235   2HB   CYS  81          2HB       CYS  81   2.675   3.945 -15.668
  236    H    GLU  82           H        GLU  82  -1.251   4.706 -17.504
  237    HA   GLU  82           HA       GLU  82   0.648   4.945 -19.807
  238   1HB   GLU  82          1HB       GLU  82  -1.437   4.732 -21.154
  239   2HB   GLU  82          2HB       GLU  82  -1.213   3.365 -20.065
  240   1HG   GLU  82          1HG       GLU  82  -2.720   5.617 -18.889
  241   2HG   GLU  82          2HG       GLU  82  -3.523   4.839 -20.252
  242    H    THR  83           H        THR  83  -0.155   6.975 -17.529
  243    HA   THR  83           HA       THR  83  -0.591   9.265 -19.400
  244    HB   THR  83           HB       THR  83  -2.068   8.741 -16.798
  245    HG1  THR  83           HG1      THR  83  -3.799   8.305 -18.112
  246   1HG2  THR  83          1HG2      THR  83  -2.348  10.926 -18.880
  247   2HG2  THR  83          2HG2      THR  83  -3.420  10.699 -17.500
  248   3HG2  THR  83          3HG2      THR  83  -1.729  11.128 -17.241
  249    H    HIS  84           H        HIS  84   0.677  11.027 -18.859
  250    HA   HIS  84           HA       HIS  84   2.371  10.796 -16.407
  251   1HB   HIS  84          1HB       HIS  84   3.355  10.932 -18.730
  252   2HB   HIS  84          2HB       HIS  84   2.673  12.553 -18.861
  253    HD1  HIS  84           HD1      HIS  84   5.735  10.987 -18.021
  254    HD2  HIS  84           HD2      HIS  84   3.580  14.137 -16.343
  255    HE1  HIS  84           HE1      HIS  84   7.373  12.304 -16.608
  256    H    LYS  85           H        LYS  85   1.645  12.017 -14.714
  257    HA   LYS  85           HA       LYS  85  -0.056  14.399 -15.206
  258   1HB   LYS  85          1HB       LYS  85   0.709  12.658 -12.865
  259   2HB   LYS  85          2HB       LYS  85  -0.075  14.216 -12.596
  260   1HG   LYS  85          1HG       LYS  85  -1.205  12.175 -14.517
  261   2HG   LYS  85          2HG       LYS  85  -1.619  12.170 -12.802
  262   1HD   LYS  85          1HD       LYS  85  -1.838  14.732 -14.350
  263   2HD   LYS  85          2HD       LYS  85  -3.110  13.519 -14.506
  264   1HE   LYS  85          1HE       LYS  85  -2.991  13.498 -11.857
  265   2HE   LYS  85          2HE       LYS  85  -2.314  15.122 -12.096
  266   1HZ   LYS  85          1HZ       LYS  85  -4.180  15.619 -13.579
  267   2HZ   LYS  85          2HZ       LYS  85  -4.853  14.093 -13.252
  268   3HZ   LYS  85          3HZ       LYS  85  -4.717  15.242 -12.012
  269    H    ASP  86           H        ASP  86   1.251  16.150 -15.747
  270    HA   ASP  86           HA       ASP  86   3.846  16.600 -14.439
  271   1HB   ASP  86          1HB       ASP  86   2.853  17.123 -16.883
  272   2HB   ASP  86          2HB       ASP  86   2.467  18.658 -16.103
  273    H    ASP  87           H        ASP  87   0.666  18.228 -14.536
  274    HA   ASP  87           HA       ASP  87  -0.331  19.779 -13.077
  275   1HB   ASP  87          1HB       ASP  87   1.521  18.246 -11.226
  276   2HB   ASP  87          2HB       ASP  87   0.272  19.354 -10.657
  277    H    GLY  88           H        GLY  88   2.721  19.841 -11.256
  278   1HA   GLY  88          1HA       GLY  88   3.670  22.273 -12.570
  279   2HA   GLY  88          2HA       GLY  88   2.994  22.559 -10.965
  280    H    SER  89           H        SER  89   3.866  20.872  -9.276
  281    HA   SER  89           HA       SER  89   6.748  20.254  -9.773
  282   1HB   SER  89          1HB       SER  89   5.523  22.247  -7.968
  283   2HB   SER  89          2HB       SER  89   6.735  21.222  -7.205
  284    HG   SER  89           HG       SER  89   7.847  22.882  -8.110
  285    H    ALA  90           H        ALA  90   7.585  19.014  -7.702
  286    HA   ALA  90           HA       ALA  90   5.440  17.115  -6.798
  287   1HB   ALA  90          1HB       ALA  90   8.357  16.662  -7.511
  288   2HB   ALA  90          2HB       ALA  90   7.282  15.417  -6.874
  289   3HB   ALA  90          3HB       ALA  90   6.959  16.139  -8.451
  Start of MODEL   18
    1   1H    SER  45          1H        SER  45  -7.521 -20.052 -10.203
    2   2H    SER  45          2H        SER  45  -6.205 -21.124 -10.167
    3   3H    SER  45          3H        SER  45  -7.781 -21.711  -9.948
    4    HA   SER  45           HA       SER  45  -7.984 -20.697  -7.827
    5   1HB   SER  45          1HB       SER  45  -5.199 -21.848  -8.167
    6   2HB   SER  45          2HB       SER  45  -6.187 -21.900  -6.710
    7    HG   SER  45           HG       SER  45  -7.161 -23.578  -7.501
    8    H    ASP  46           H        ASP  46  -4.632 -20.050  -8.932
    9    HA   ASP  46           HA       ASP  46  -4.610 -17.546  -7.324
   10   1HB   ASP  46          1HB       ASP  46  -2.801 -19.256  -7.156
   11   2HB   ASP  46          2HB       ASP  46  -2.438 -19.006  -8.864
   12    H    GLY  47           H        GLY  47  -3.361 -18.471 -10.556
   13   1HA   GLY  47          1HA       GLY  47  -3.532 -17.354 -12.622
   14   2HA   GLY  47          2HA       GLY  47  -4.798 -16.350 -11.915
   15    H    ASP  48           H        ASP  48  -1.627 -16.341 -13.032
   16    HA   ASP  48           HA       ASP  48  -0.755 -14.063 -11.332
   17   1HB   ASP  48          1HB       ASP  48   0.431 -16.168 -13.010
   18   2HB   ASP  48          2HB       ASP  48   1.189 -14.594 -13.241
   19    H    GLN  49           H        GLN  49  -1.490 -12.087 -12.021
   20    HA   GLN  49           HA       GLN  49  -1.983 -11.613 -14.916
   21   1HB   GLN  49          1HB       GLN  49  -2.601 -10.108 -12.356
   22   2HB   GLN  49          2HB       GLN  49  -3.030  -9.516 -13.961
   23   1HG   GLN  49          1HG       GLN  49  -4.983 -10.636 -13.353
   24   2HG   GLN  49          2HG       GLN  49  -4.119 -11.896 -14.235
   25   1HE2  GLN  49          1HE2      GLN  49  -5.242 -13.558 -12.925
   26   2HE2  GLN  49          2HE2      GLN  49  -4.766 -13.851 -11.322
   27    H    CYS  50           H        CYS  50   0.784 -11.745 -13.623
   28    HA   CYS  50           HA       CYS  50   1.710  -9.005 -14.425
   29   1HB   CYS  50          1HB       CYS  50   1.777  -9.561 -11.967
   30   2HB   CYS  50          2HB       CYS  50   2.890 -10.872 -12.344
   31    H    ALA  51           H        ALA  51   1.448 -11.586 -15.989
   32    HA   ALA  51           HA       ALA  51   4.250 -12.427 -16.436
   33   1HB   ALA  51          1HB       ALA  51   1.938 -13.763 -16.431
   34   2HB   ALA  51          2HB       ALA  51   1.929 -13.275 -18.126
   35   3HB   ALA  51          3HB       ALA  51   3.261 -14.242 -17.493
   36    H    SER  52           H        SER  52   1.765 -10.435 -17.935
   37    HA   SER  52           HA       SER  52   3.323 -10.097 -20.429
   38   1HB   SER  52          1HB       SER  52   0.623  -9.321 -19.361
   39   2HB   SER  52          2HB       SER  52   1.258  -8.504 -20.787
   40    HG   SER  52           HG       SER  52   0.751 -10.216 -21.876
   41    H    SER  53           H        SER  53   2.996  -8.527 -17.352
   42    HA   SER  53           HA       SER  53   3.839  -6.489 -16.518
   43   1HB   SER  53          1HB       SER  53   5.585  -6.765 -18.987
   44   2HB   SER  53          2HB       SER  53   5.962  -5.822 -17.548
   45    HG   SER  53           HG       SER  53   6.951  -7.736 -17.219
   46    HA   PRO  54           HA       PRO  54   1.482  -4.177 -19.860
   47   1HB   PRO  54          1HB       PRO  54  -0.753  -3.592 -18.396
   48   2HB   PRO  54          2HB       PRO  54  -0.591  -5.068 -19.368
   49   1HG   PRO  54          1HG       PRO  54  -0.287  -4.690 -16.435
   50   2HG   PRO  54          2HG       PRO  54  -1.000  -6.039 -17.333
   51   1HD   PRO  54          1HD       PRO  54   1.506  -6.093 -16.244
   52   2HD   PRO  54          2HD       PRO  54   1.017  -7.062 -17.651
   53    H    CYS  55           H        CYS  55   2.731  -3.612 -16.733
   54    HA   CYS  55           HA       CYS  55   1.895  -0.942 -16.172
   55   1HB   CYS  55          1HB       CYS  55   4.558  -2.305 -15.635
   56   2HB   CYS  55          2HB       CYS  55   3.927  -0.907 -14.771
   57    H    GLN  56           H        GLN  56   2.861   1.076 -16.721
   58    HA   GLN  56           HA       GLN  56   4.817   1.003 -18.999
   59   1HB   GLN  56          1HB       GLN  56   2.301   1.532 -19.408
   60   2HB   GLN  56          2HB       GLN  56   2.656   3.076 -18.633
   61   1HG   GLN  56          1HG       GLN  56   3.933   3.819 -20.381
   62   2HG   GLN  56          2HG       GLN  56   4.557   2.209 -20.744
   63   1HE2  GLN  56          2HE2      GLN  56   1.171   3.446 -20.576
   64   2HE2  GLN  56          1HE2      GLN  56   0.759   2.955 -22.148
   65    H    ASN  57           H        ASN  57   5.772   3.343 -19.271
   66    HA   ASN  57           HA       ASN  57   7.191   4.993 -18.364
   67   1HB   ASN  57          1HB       ASN  57   4.728   4.961 -16.632
   68   2HB   ASN  57          2HB       ASN  57   6.044   6.082 -16.280
   69   1HD2  ASN  57          2HD2      ASN  57   3.254   6.617 -17.391
   70   2HD2  ASN  57          1HD2      ASN  57   3.525   7.474 -18.831
   71    H    GLY  58           H        GLY  58   8.029   2.403 -17.686
   72   1HA   GLY  58          1HA       GLY  58   9.445   1.290 -16.186
   73   2HA   GLY  58          2HA       GLY  58   9.749   2.871 -15.468
   74    H    GLY  59           H        GLY  59   6.513   1.533 -15.637
   75   1HA   GLY  59          1HA       GLY  59   6.190   1.782 -12.761
   76   2HA   GLY  59          2HA       GLY  59   4.988   1.139 -13.882
   77    H    SER  60           H        SER  60   6.010   0.093 -11.237
   78    HA   SER  60           HA       SER  60   7.382  -2.421 -11.985
   79   1HB   SER  60          1HB       SER  60   7.461  -0.760  -9.825
   80   2HB   SER  60          2HB       SER  60   6.321  -1.974  -9.250
   81    HG   SER  60           HG       SER  60   8.914  -2.436 -10.323
   82    H    CYS  61           H        CYS  61   6.332  -4.368 -12.202
   83    HA   CYS  61           HA       CYS  61   3.372  -4.396 -11.998
   84   1HB   CYS  61          1HB       CYS  61   4.520  -5.165 -14.036
   85   2HB   CYS  61          2HB       CYS  61   5.434  -6.340 -13.095
   86    H    LYS  62           H        LYS  62   2.344  -5.372 -10.311
   87    HA   LYS  62           HA       LYS  62   3.839  -7.388  -8.672
   88   1HB   LYS  62          1HB       LYS  62   3.270  -4.783  -7.937
   89   2HB   LYS  62          2HB       LYS  62   1.910  -5.670  -7.251
   90   1HG   LYS  62          1HG       LYS  62   3.625  -5.666  -5.576
   91   2HG   LYS  62          2HG       LYS  62   3.608  -7.288  -6.269
   92   1HD   LYS  62          1HD       LYS  62   5.437  -6.505  -7.856
   93   2HD   LYS  62          2HD       LYS  62   5.556  -5.049  -6.865
   94   1HE   LYS  62          1HE       LYS  62   6.601  -6.154  -5.153
   95   2HE   LYS  62          2HE       LYS  62   5.601  -7.606  -5.356
   96   1HZ   LYS  62          1HZ       LYS  62   6.804  -7.984  -7.489
   97   2HZ   LYS  62          2HZ       LYS  62   7.876  -6.738  -7.055
   98   3HZ   LYS  62          3HZ       LYS  62   7.781  -8.142  -6.107
   99    H    ASP  63           H        ASP  63   2.589  -9.176  -8.112
  100    HA   ASP  63           HA       ASP  63  -0.050  -9.441  -9.390
  101   1HB   ASP  63          1HB       ASP  63   0.216 -11.793  -8.645
  102   2HB   ASP  63          2HB       ASP  63   1.659 -11.217  -9.476
  103    H    GLN  64           H        GLN  64  -1.975  -9.186  -8.338
  104    HA   GLN  64           HA       GLN  64  -1.998  -9.267  -5.338
  105   1HB   GLN  64          1HB       GLN  64  -3.358  -7.319  -7.232
  106   2HB   GLN  64          2HB       GLN  64  -3.567  -7.333  -5.481
  107   1HG   GLN  64          1HG       GLN  64  -0.900  -6.981  -6.878
  108   2HG   GLN  64          2HG       GLN  64  -1.879  -5.655  -6.249
  109   1HE2  GLN  64          2HE2      GLN  64  -2.670  -6.312  -3.788
  110   2HE2  GLN  64          1HE2      GLN  64  -1.385  -6.786  -2.785
  111    H    LEU  65           H        LEU  65  -2.727 -11.373  -7.245
  112    HA   LEU  65           HA       LEU  65  -4.462 -12.937  -7.570
  113   1HB   LEU  65          1HB       LEU  65  -4.734 -11.831  -5.009
  114   2HB   LEU  65          2HB       LEU  65  -6.354 -11.721  -5.693
  115    HG   LEU  65           HG       LEU  65  -6.040 -13.868  -4.524
  116   1HD1  LEU  65          1HD1      LEU  65  -7.214 -13.528  -6.922
  117   2HD1  LEU  65          2HD1      LEU  65  -5.990 -14.713  -7.378
  118   3HD1  LEU  65          3HD1      LEU  65  -7.156 -15.093  -6.111
  119   1HD2  LEU  65          1HD2      LEU  65  -3.469 -13.775  -5.328
  120   2HD2  LEU  65          2HD2      LEU  65  -4.265 -15.284  -4.881
  121   3HD2  LEU  65          3HD2      LEU  65  -4.114 -14.837  -6.580
  122    H    GLN  66           H        GLN  66  -6.454 -13.106  -8.744
  123    HA   GLN  66           HA       GLN  66  -8.108 -12.396 -10.259
  124   1HB   GLN  66          1HB       GLN  66  -8.192 -10.669  -7.917
  125   2HB   GLN  66          2HB       GLN  66  -8.699  -9.785  -9.356
  126   1HG   GLN  66          1HG       GLN  66 -10.533 -11.153  -9.720
  127   2HG   GLN  66          2HG       GLN  66  -9.785 -12.542  -8.931
  128   1HE2  GLN  66          2HE2      GLN  66 -10.978 -13.019  -7.081
  129   2HE2  GLN  66          1HE2      GLN  66 -11.563 -11.870  -5.977
  130    H    SER  67           H        SER  67  -6.831  -9.131  -9.613
  131    HA   SER  67           HA       SER  67  -5.956  -9.005 -12.478
  132   1HB   SER  67          1HB       SER  67  -6.717  -6.784 -10.555
  133   2HB   SER  67          2HB       SER  67  -6.476  -6.632 -12.294
  134    HG   SER  67           HG       SER  67  -8.512  -8.014 -10.891
  135    H    TYR  68           H        TYR  68  -4.475  -6.568 -12.118
  136    HA   TYR  68           HA       TYR  68  -2.244  -7.419 -10.305
  137   1HB   TYR  68          1HB       TYR  68  -0.697  -6.728 -12.142
  138   2HB   TYR  68          2HB       TYR  68  -1.745  -8.064 -12.620
  139    HD1  TYR  68           HD1      TYR  68  -3.714  -7.645 -14.098
  140    HD2  TYR  68           HD2      TYR  68  -0.871  -4.561 -13.174
  141    HE1  TYR  68           HE1      TYR  68  -4.565  -6.292 -15.993
  142    HE2  TYR  68           HE2      TYR  68  -1.722  -3.208 -15.066
  143    HH   TYR  68           HH       TYR  68  -3.647  -4.455 -17.497
  144    H    ILE  69           H        ILE  69  -0.614  -5.497 -10.143
  145    HA   ILE  69           HA       ILE  69  -2.025  -2.864 -10.179
  146    HB   ILE  69           HB       ILE  69  -2.243  -3.897  -7.945
  147   1HG1  ILE  69          1HG1      ILE  69  -0.157  -1.695  -7.919
  148   2HG1  ILE  69          2HG1      ILE  69  -1.881  -1.427  -8.183
  149   1HG2  ILE  69          1HG2      ILE  69  -0.173  -5.323  -8.176
  150   2HG2  ILE  69          2HG2      ILE  69   0.785  -3.878  -7.854
  151   3HG2  ILE  69          3HG2      ILE  69  -0.314  -4.497  -6.625
  152   1HD1  ILE  69          1HD1      ILE  69  -2.048  -2.879  -5.936
  153   2HD1  ILE  69          2HD1      ILE  69  -0.444  -2.192  -5.686
  154   3HD1  ILE  69          3HD1      ILE  69  -1.834  -1.128  -5.901
  155    H    CYS  70           H        CYS  70  -0.726  -1.376 -11.172
  156    HA   CYS  70           HA       CYS  70   2.163  -2.016 -11.531
  157   1HB   CYS  70          1HB       CYS  70   0.161  -0.188 -12.876
  158   2HB   CYS  70          2HB       CYS  70   1.885  -0.112 -13.236
  159    H    PHE  71           H        PHE  71   3.722  -0.762 -10.550
  160    HA   PHE  71           HA       PHE  71   2.846   1.425  -8.744
  161   1HB   PHE  71          1HB       PHE  71   5.320  -0.245  -9.175
  162   2HB   PHE  71          2HB       PHE  71   5.392   1.211  -8.182
  163    HD1  PHE  71           HD1      PHE  71   3.654   1.444  -6.281
  164    HD2  PHE  71           HD2      PHE  71   4.520  -2.265  -8.268
  165    HE1  PHE  71           HE1      PHE  71   2.675   0.194  -4.376
  166    HE2  PHE  71           HE2      PHE  71   3.541  -3.515  -6.362
  167    HZ   PHE  71           HZ       PHE  71   2.618  -2.285  -4.417
  168    H    CYS  72           H        CYS  72   2.460   3.179 -10.170
  169    HA   CYS  72           HA       CYS  72   4.308   3.918 -12.294
  170   1HB   CYS  72          1HB       CYS  72   2.105   5.489 -10.912
  171   2HB   CYS  72          2HB       CYS  72   2.812   5.864 -12.480
  172    H    LEU  73           H        LEU  73   5.138   6.297 -12.263
  173    HA   LEU  73           HA       LEU  73   6.940   6.604  -9.976
  174   1HB   LEU  73          1HB       LEU  73   6.394   7.945 -12.617
  175   2HB   LEU  73          2HB       LEU  73   7.424   8.759 -11.445
  176    HG   LEU  73           HG       LEU  73   8.773   7.414 -13.003
  177   1HD1  LEU  73          1HD1      LEU  73   9.335   7.623 -10.497
  178   2HD1  LEU  73          2HD1      LEU  73   8.776   5.957 -10.360
  179   3HD1  LEU  73          3HD1      LEU  73  10.145   6.345 -11.400
  180   1HD2  LEU  73          1HD2      LEU  73   6.892   5.724 -13.378
  181   2HD2  LEU  73          2HD2      LEU  73   8.517   5.051 -13.230
  182   3HD2  LEU  73          3HD2      LEU  73   7.402   4.970 -11.867
  183    HA   PRO  74           HA       PRO  74   4.622   9.529  -7.641
  184   1HB   PRO  74          1HB       PRO  74   6.373  11.581  -7.131
  185   2HB   PRO  74          2HB       PRO  74   6.457  10.002  -6.324
  186   1HG   PRO  74          1HG       PRO  74   8.033  11.028  -8.640
  187   2HG   PRO  74          2HG       PRO  74   8.573  10.087  -7.238
  188   1HD   PRO  74          1HD       PRO  74   8.148   8.954  -9.642
  189   2HD   PRO  74          2HD       PRO  74   7.835   8.088  -8.123
  190    H    ALA  75           H        ALA  75   6.099  10.593 -10.612
  191    HA   ALA  75           HA       ALA  75   4.286  12.971 -10.734
  192   1HB   ALA  75          1HB       ALA  75   6.916  12.164 -11.937
  193   2HB   ALA  75          2HB       ALA  75   5.912  13.331 -12.798
  194   3HB   ALA  75          3HB       ALA  75   6.467  13.683 -11.162
  195    H    PHE  76           H        PHE  76   3.623  10.007 -11.259
  196    HA   PHE  76           HA       PHE  76   2.485  10.413 -14.003
  197   1HB   PHE  76          1HB       PHE  76   4.077   8.141 -12.827
  198   2HB   PHE  76          2HB       PHE  76   2.948   7.841 -14.148
  199    HD1  PHE  76           HD1      PHE  76   5.893   9.898 -13.145
  200    HD2  PHE  76           HD2      PHE  76   3.494   8.408 -16.381
  201    HE1  PHE  76           HE1      PHE  76   7.566  10.737 -14.773
  202    HE2  PHE  76           HE2      PHE  76   5.166   9.247 -18.009
  203    HZ   PHE  76           HZ       PHE  76   7.203  10.410 -17.204
  204    H    GLU  77           H        GLU  77   0.596   8.927 -14.387
  205    HA   GLU  77           HA       GLU  77  -0.716   7.839 -11.955
  206   1HB   GLU  77          1HB       GLU  77  -1.142  10.425 -12.655
  207   2HB   GLU  77          2HB       GLU  77  -2.373   9.640 -13.644
  208   1HG   GLU  77          1HG       GLU  77  -3.406   8.638 -11.736
  209   2HG   GLU  77          2HG       GLU  77  -2.043   9.052 -10.697
  210    H    GLY  78           H        GLY  78  -2.964   6.896 -12.710
  211   1HA   GLY  78          1HA       GLY  78  -4.253   5.955 -14.588
  212   2HA   GLY  78          2HA       GLY  78  -2.742   5.823 -15.489
  213    H    ARG  79           H        ARG  79  -4.604   3.662 -14.961
  214    HA   ARG  79           HA       ARG  79  -3.759   1.960 -12.812
  215   1HB   ARG  79          1HB       ARG  79  -5.858   1.783 -14.164
  216   2HB   ARG  79          2HB       ARG  79  -4.890   1.243 -15.538
  217   1HG   ARG  79          1HG       ARG  79  -4.392  -0.803 -14.562
  218   2HG   ARG  79          2HG       ARG  79  -4.590  -0.185 -12.921
  219   1HD   ARG  79          1HD       ARG  79  -7.032  -0.072 -13.233
  220   2HD   ARG  79          2HD       ARG  79  -6.852  -0.655 -14.899
  221    HE   ARG  79           HE       ARG  79  -6.535  -2.819 -14.031
  222   1HH1  ARG  79          1HH1      ARG  79  -6.174  -0.467 -11.484
  223   2HH1  ARG  79          2HH1      ARG  79  -5.717  -1.652 -10.310
  224   1HH2  ARG  79          1HH2      ARG  79  -5.802  -4.314 -12.517
  225   2HH2  ARG  79          2HH2      ARG  79  -5.509  -3.809 -10.886
  226    H    ASN  80           H        ASN  80  -2.763   2.116 -16.239
  227    HA   ASN  80           HA       ASN  80  -0.518   0.230 -15.652
  228   1HB   ASN  80          1HB       ASN  80  -1.940   1.187 -18.149
  229   2HB   ASN  80          2HB       ASN  80  -0.454   0.239 -18.222
  230   1HD2  ASN  80          2HD2      ASN  80  -1.683  -1.565 -19.212
  231   2HD2  ASN  80          1HD2      ASN  80  -2.685  -2.545 -18.255
  232    H    CYS  81           H        CYS  81  -0.622   3.169 -14.936
  233    HA   CYS  81           HA       CYS  81   0.818   5.037 -14.993
  234   1HB   CYS  81          1HB       CYS  81   2.700   2.997 -16.228
  235   2HB   CYS  81          2HB       CYS  81   3.168   4.484 -15.412
  236    H    GLU  82           H        GLU  82  -0.965   5.082 -17.076
  237    HA   GLU  82           HA       GLU  82   0.687   5.817 -19.471
  238   1HB   GLU  82          1HB       GLU  82  -1.400   5.308 -20.733
  239   2HB   GLU  82          2HB       GLU  82  -0.844   3.922 -19.796
  240   1HG   GLU  82          1HG       GLU  82  -2.506   4.260 -18.119
  241   2HG   GLU  82          2HG       GLU  82  -2.888   5.873 -18.719
  242    H    THR  83           H        THR  83  -0.138   7.486 -17.034
  243    HA   THR  83           HA       THR  83  -1.350   9.736 -18.588
  244    HB   THR  83           HB       THR  83  -2.129   8.835 -15.796
  245    HG1  THR  83           HG1      THR  83  -3.560   8.664 -18.236
  246   1HG2  THR  83          1HG2      THR  83  -2.291  11.327 -16.566
  247   2HG2  THR  83          2HG2      THR  83  -3.645  10.755 -17.541
  248   3HG2  THR  83          3HG2      THR  83  -3.685  10.581 -15.786
  249    H    HIS  84           H        HIS  84   0.348  11.179 -18.567
  250    HA   HIS  84           HA       HIS  84   2.207  11.376 -16.308
  251   1HB   HIS  84          1HB       HIS  84   2.402  11.769 -18.960
  252   2HB   HIS  84          2HB       HIS  84   2.043  13.426 -18.473
  253    HD1  HIS  84           HD1      HIS  84   4.880  12.345 -19.519
  254    HD2  HIS  84           HD2      HIS  84   3.838  13.080 -15.550
  255    HE1  HIS  84           HE1      HIS  84   7.049  12.726 -18.269
  256    H    LYS  85           H        LYS  85   2.022  12.796 -14.614
  257    HA   LYS  85           HA       LYS  85  -0.344  14.537 -14.433
  258   1HB   LYS  85          1HB       LYS  85   1.923  13.660 -12.649
  259   2HB   LYS  85          2HB       LYS  85   0.842  14.960 -12.145
  260   1HG   LYS  85          1HG       LYS  85  -0.407  12.462 -13.198
  261   2HG   LYS  85          2HG       LYS  85   0.306  12.400 -11.586
  262   1HD   LYS  85          1HD       LYS  85  -1.504  14.684 -12.316
  263   2HD   LYS  85          2HD       LYS  85  -2.202  13.132 -11.856
  264   1HE   LYS  85          1HE       LYS  85  -1.313  13.231  -9.678
  265   2HE   LYS  85          2HE       LYS  85  -0.075  14.417 -10.139
  266   1HZ   LYS  85          1HZ       LYS  85  -1.904  15.972 -10.676
  267   2HZ   LYS  85          2HZ       LYS  85  -3.012  14.859 -10.036
  268   3HZ   LYS  85          3HZ       LYS  85  -1.842  15.568  -9.028
  269    H    ASP  86           H        ASP  86   0.456  16.733 -13.091
  270    HA   ASP  86           HA       ASP  86   2.336  18.109 -14.981
  271   1HB   ASP  86          1HB       ASP  86   0.993  20.128 -14.399
  272   2HB   ASP  86          2HB       ASP  86  -0.009  18.846 -15.077
  273    H    ASP  87           H        ASP  87   1.467  17.603 -11.595
  274    HA   ASP  87           HA       ASP  87   3.517  19.472 -10.598
  275   1HB   ASP  87          1HB       ASP  87   1.120  18.596  -9.688
  276   2HB   ASP  87          2HB       ASP  87   2.186  17.471  -8.843
  277    H    GLY  88           H        GLY  88   5.466  18.483 -11.462
  278   1HA   GLY  88          1HA       GLY  88   6.409  16.199  -9.831
  279   2HA   GLY  88          2HA       GLY  88   6.464  16.006 -11.583
  280    H    SER  89           H        SER  89   8.554  16.259 -12.203
  281    HA   SER  89           HA       SER  89  10.128  18.514 -11.002
  282   1HB   SER  89          1HB       SER  89  10.926  16.222 -10.511
  283   2HB   SER  89          2HB       SER  89  11.007  15.882 -12.237
  284    HG   SER  89           HG       SER  89  13.032  16.528 -11.373
  285    H    ALA  90           H        ALA  90  11.944  19.202 -12.638
  286    HA   ALA  90           HA       ALA  90  10.667  19.578 -15.325
  287   1HB   ALA  90          1HB       ALA  90  11.175  21.503 -13.674
  288   2HB   ALA  90          2HB       ALA  90  12.871  21.227 -14.075
  289   3HB   ALA  90          3HB       ALA  90  11.733  21.704 -15.335
  Start of MODEL   19
    1   1H    SER  45          1H        SER  45   1.483 -17.062 -12.880
    2   2H    SER  45          2H        SER  45   2.944 -17.508 -12.138
    3   3H    SER  45          3H        SER  45   1.606 -18.554 -12.082
    4    HA   SER  45           HA       SER  45   1.891 -17.421  -9.952
    5   1HB   SER  45          1HB       SER  45   1.689 -14.944  -9.994
    6   2HB   SER  45          2HB       SER  45   3.061 -15.498 -10.947
    7    HG   SER  45           HG       SER  45   2.000 -15.027 -12.770
    8    H    ASP  46           H        ASP  46  -0.065 -15.577  -9.257
    9    HA   ASP  46           HA       ASP  46  -2.534 -17.080  -9.835
   10   1HB   ASP  46          1HB       ASP  46  -1.829 -14.711  -8.072
   11   2HB   ASP  46          2HB       ASP  46  -3.415 -15.484  -8.096
   12    H    GLY  47           H        GLY  47  -3.484 -16.559 -11.786
   13   1HA   GLY  47          1HA       GLY  47  -4.787 -15.196 -13.222
   14   2HA   GLY  47          2HA       GLY  47  -4.399 -13.809 -12.205
   15    H    ASP  48           H        ASP  48  -4.270 -14.053 -15.160
   16    HA   ASP  48           HA       ASP  48  -1.345 -13.863 -15.698
   17   1HB   ASP  48          1HB       ASP  48  -2.852 -15.268 -17.101
   18   2HB   ASP  48          2HB       ASP  48  -3.769 -13.823 -17.528
   19    H    GLN  49           H        GLN  49  -2.344 -11.744 -14.134
   20    HA   GLN  49           HA       GLN  49  -3.047  -9.470 -15.858
   21   1HB   GLN  49          1HB       GLN  49  -2.327  -9.773 -12.924
   22   2HB   GLN  49          2HB       GLN  49  -2.918  -8.278 -13.652
   23   1HG   GLN  49          1HG       GLN  49  -4.416 -10.912 -13.725
   24   2HG   GLN  49          2HG       GLN  49  -4.727  -9.627 -12.557
   25   1HE2  GLN  49          2HE2      GLN  49  -4.931 -10.457 -16.013
   26   2HE2  GLN  49          1HE2      GLN  49  -5.974  -9.185 -16.428
   27    H    CYS  50           H        CYS  50  -0.307 -10.151 -13.639
   28    HA   CYS  50           HA       CYS  50   1.353  -8.150 -15.076
   29   1HB   CYS  50          1HB       CYS  50   1.117  -8.280 -12.566
   30   2HB   CYS  50          2HB       CYS  50   1.933  -9.843 -12.626
   31    H    ALA  51           H        ALA  51   0.755 -10.501 -16.584
   32    HA   ALA  51           HA       ALA  51   3.097 -12.299 -16.386
   33   1HB   ALA  51          1HB       ALA  51   0.456 -12.179 -17.755
   34   2HB   ALA  51          2HB       ALA  51   1.722 -13.096 -18.570
   35   3HB   ALA  51          3HB       ALA  51   1.232 -13.532 -16.933
   36    H    SER  52           H        SER  52   1.939  -9.617 -18.350
   37    HA   SER  52           HA       SER  52   4.349  -9.908 -20.119
   38   1HB   SER  52          1HB       SER  52   2.821  -8.493 -21.665
   39   2HB   SER  52          2HB       SER  52   2.393 -10.184 -21.424
   40    HG   SER  52           HG       SER  52   1.116  -7.880 -20.610
   41    H    SER  53           H        SER  53   4.006  -8.447 -17.457
   42    HA   SER  53           HA       SER  53   4.520  -6.350 -16.500
   43   1HB   SER  53          1HB       SER  53   6.550  -5.480 -17.409
   44   2HB   SER  53          2HB       SER  53   6.578  -7.205 -17.749
   45    HG   SER  53           HG       SER  53   6.148  -5.028 -19.466
   46    HA   PRO  54           HA       PRO  54   1.703  -4.040 -19.437
   47   1HB   PRO  54          1HB       PRO  54  -0.351  -3.636 -17.674
   48   2HB   PRO  54          2HB       PRO  54  -0.236  -5.070 -18.714
   49   1HG   PRO  54          1HG       PRO  54   0.444  -4.761 -15.834
   50   2HG   PRO  54          2HG       PRO  54  -0.320  -6.119 -16.675
   51   1HD   PRO  54          1HD       PRO  54   2.306  -6.086 -15.941
   52   2HD   PRO  54          2HD       PRO  54   1.682  -7.014 -17.322
   53    H    CYS  55           H        CYS  55   2.791  -3.571 -16.132
   54    HA   CYS  55           HA       CYS  55   2.110  -0.830 -15.734
   55   1HB   CYS  55          1HB       CYS  55   4.525  -2.423 -14.806
   56   2HB   CYS  55          2HB       CYS  55   3.948  -0.929 -14.072
   57    H    GLN  56           H        GLN  56   2.596   0.679 -17.314
   58    HA   GLN  56           HA       GLN  56   5.074   0.544 -18.888
   59   1HB   GLN  56          1HB       GLN  56   2.883   2.635 -18.675
   60   2HB   GLN  56          2HB       GLN  56   4.091   2.545 -19.954
   61   1HG   GLN  56          1HG       GLN  56   2.710  -0.002 -19.625
   62   2HG   GLN  56          2HG       GLN  56   1.573   1.309 -19.939
   63   1HE2  GLN  56          2HE2      GLN  56   1.398   2.018 -22.084
   64   2HE2  GLN  56          1HE2      GLN  56   2.461   1.575 -23.331
   65    H    ASN  57           H        ASN  57   5.760   3.212 -19.114
   66    HA   ASN  57           HA       ASN  57   7.143   4.849 -18.139
   67   1HB   ASN  57          1HB       ASN  57   5.421   4.288 -15.706
   68   2HB   ASN  57          2HB       ASN  57   6.268   5.785 -16.078
   69   1HD2  ASN  57          2HD2      ASN  57   5.463   5.576 -19.026
   70   2HD2  ASN  57          1HD2      ASN  57   3.827   6.022 -19.050
   71    H    GLY  58           H        GLY  58   7.736   1.830 -17.691
   72   1HA   GLY  58          1HA       GLY  58   9.402   0.593 -16.602
   73   2HA   GLY  58          2HA       GLY  58  10.165   2.141 -16.244
   74    H    GLY  59           H        GLY  59   6.942   1.139 -15.182
   75   1HA   GLY  59          1HA       GLY  59   7.709   1.710 -12.396
   76   2HA   GLY  59          2HA       GLY  59   6.082   1.339 -12.967
   77    H    SER  60           H        SER  60   6.986   0.086 -10.683
   78    HA   SER  60           HA       SER  60   8.034  -2.586 -11.405
   79   1HB   SER  60          1HB       SER  60   7.707  -0.880  -9.037
   80   2HB   SER  60          2HB       SER  60   7.330  -2.570  -8.721
   81    HG   SER  60           HG       SER  60   9.367  -3.039  -8.941
   82    H    CYS  61           H        CYS  61   6.624  -4.164 -12.026
   83    HA   CYS  61           HA       CYS  61   3.731  -3.885 -11.491
   84   1HB   CYS  61          1HB       CYS  61   4.682  -4.490 -13.714
   85   2HB   CYS  61          2HB       CYS  61   5.348  -5.960 -13.006
   86    H    LYS  62           H        LYS  62   2.671  -5.025  -9.923
   87    HA   LYS  62           HA       LYS  62   4.044  -7.384  -8.681
   88   1HB   LYS  62          1HB       LYS  62   3.873  -4.919  -7.546
   89   2HB   LYS  62          2HB       LYS  62   2.358  -5.625  -6.983
   90   1HG   LYS  62          1HG       LYS  62   3.707  -6.434  -5.316
   91   2HG   LYS  62          2HG       LYS  62   4.009  -7.703  -6.503
   92   1HD   LYS  62          1HD       LYS  62   6.194  -7.132  -6.093
   93   2HD   LYS  62          2HD       LYS  62   5.848  -5.911  -7.317
   94   1HE   LYS  62          1HE       LYS  62   5.604  -4.196  -5.722
   95   2HE   LYS  62          2HE       LYS  62   5.304  -5.343  -4.401
   96   1HZ   LYS  62          1HZ       LYS  62   7.559  -6.189  -4.679
   97   2HZ   LYS  62          2HZ       LYS  62   7.851  -5.052  -5.908
   98   3HZ   LYS  62          3HZ       LYS  62   7.579  -4.528  -4.317
   99    H    ASP  63           H        ASP  63   2.635  -9.083  -8.136
  100    HA   ASP  63           HA       ASP  63  -0.062  -8.982  -9.326
  101   1HB   ASP  63          1HB       ASP  63  -0.003 -11.407  -8.800
  102   2HB   ASP  63          2HB       ASP  63   1.454 -10.900  -9.651
  103    H    GLN  64           H        GLN  64  -1.928  -8.713  -8.155
  104    HA   GLN  64           HA       GLN  64  -1.732  -8.807  -5.160
  105   1HB   GLN  64          1HB       GLN  64  -3.109  -6.976  -7.118
  106   2HB   GLN  64          2HB       GLN  64  -3.695  -7.104  -5.459
  107   1HG   GLN  64          1HG       GLN  64  -0.766  -6.661  -5.959
  108   2HG   GLN  64          2HG       GLN  64  -1.880  -5.296  -6.057
  109   1HE2  GLN  64          1HE2      GLN  64  -3.155  -4.783  -4.074
  110   2HE2  GLN  64          2HE2      GLN  64  -2.582  -5.274  -2.553
  111    H    LEU  65           H        LEU  65  -2.427 -11.063  -5.189
  112    HA   LEU  65           HA       LEU  65  -4.028 -12.780  -5.087
  113   1HB   LEU  65          1HB       LEU  65  -5.314 -10.224  -4.415
  114   2HB   LEU  65          2HB       LEU  65  -6.459 -11.441  -4.972
  115    HG   LEU  65           HG       LEU  65  -6.166 -11.559  -2.525
  116   1HD1  LEU  65          1HD1      LEU  65  -6.372 -13.641  -4.136
  117   2HD1  LEU  65          2HD1      LEU  65  -4.735 -13.978  -3.572
  118   3HD1  LEU  65          3HD1      LEU  65  -6.063 -13.879  -2.415
  119   1HD2  LEU  65          1HD2      LEU  65  -3.831 -10.699  -2.473
  120   2HD2  LEU  65          2HD2      LEU  65  -4.003 -12.202  -1.565
  121   3HD2  LEU  65          3HD2      LEU  65  -3.274 -12.221  -3.171
  122    H    GLN  66           H        GLN  66  -6.272 -10.592  -6.768
  123    HA   GLN  66           HA       GLN  66  -6.274 -12.505  -9.068
  124   1HB   GLN  66          1HB       GLN  66  -8.251 -10.707  -7.707
  125   2HB   GLN  66          2HB       GLN  66  -8.507 -11.103  -9.407
  126   1HG   GLN  66          1HG       GLN  66  -8.687 -13.414  -8.967
  127   2HG   GLN  66          2HG       GLN  66  -7.930 -13.261  -7.381
  128   1HE2  GLN  66          2HE2      GLN  66 -10.625 -11.364  -8.842
  129   2HE2  GLN  66          1HE2      GLN  66 -11.735 -11.713  -7.606
  130    H    SER  67           H        SER  67  -6.904  -9.009  -8.576
  131    HA   SER  67           HA       SER  67  -6.134  -8.324 -11.297
  132   1HB   SER  67          1HB       SER  67  -6.575  -6.058 -10.513
  133   2HB   SER  67          2HB       SER  67  -7.797  -7.131  -9.838
  134    HG   SER  67           HG       SER  67  -7.105  -6.584  -7.940
  135    H    TYR  68           H        TYR  68  -4.569  -6.017 -10.891
  136    HA   TYR  68           HA       TYR  68  -2.049  -7.039  -9.640
  137   1HB   TYR  68          1HB       TYR  68  -0.854  -6.234 -11.678
  138   2HB   TYR  68          2HB       TYR  68  -2.005  -7.518 -12.044
  139    HD1  TYR  68           HD1      TYR  68  -4.253  -6.932 -13.020
  140    HD2  TYR  68           HD2      TYR  68  -1.108  -4.038 -12.584
  141    HE1  TYR  68           HE1      TYR  68  -5.405  -5.438 -14.630
  142    HE2  TYR  68           HE2      TYR  68  -2.260  -2.544 -14.192
  143    HH   TYR  68           HH       TYR  68  -4.689  -3.555 -16.223
  144    H    ILE  69           H        ILE  69  -0.376  -5.136  -9.669
  145    HA   ILE  69           HA       ILE  69  -1.660  -2.472  -9.345
  146    HB   ILE  69           HB       ILE  69  -1.803  -3.633  -7.171
  147   1HG1  ILE  69          1HG1      ILE  69   0.474  -1.735  -6.771
  148   2HG1  ILE  69          2HG1      ILE  69  -0.992  -1.117  -7.530
  149   1HG2  ILE  69          1HG2      ILE  69   0.238  -5.103  -7.706
  150   2HG2  ILE  69          2HG2      ILE  69   1.217  -3.743  -7.158
  151   3HG2  ILE  69          3HG2      ILE  69   0.091  -4.524  -6.047
  152   1HD1  ILE  69          1HD1      ILE  69  -2.105  -2.491  -5.493
  153   2HD1  ILE  69          2HD1      ILE  69  -0.561  -2.077  -4.750
  154   3HD1  ILE  69          3HD1      ILE  69  -1.621  -0.801  -5.347
  155    H    CYS  70           H        CYS  70  -0.374  -1.106 -10.510
  156    HA   CYS  70           HA       CYS  70   2.435  -1.834 -11.081
  157   1HB   CYS  70          1HB       CYS  70   0.524   0.329 -12.005
  158   2HB   CYS  70          2HB       CYS  70   2.195   0.228 -12.560
  159    H    PHE  71           H        PHE  71   4.170  -0.845 -10.124
  160    HA   PHE  71           HA       PHE  71   3.645   1.314  -8.127
  161   1HB   PHE  71          1HB       PHE  71   5.762  -0.785  -8.589
  162   2HB   PHE  71          2HB       PHE  71   6.087   0.588  -7.530
  163    HD1  PHE  71           HD1      PHE  71   4.613   1.000  -5.536
  164    HD2  PHE  71           HD2      PHE  71   4.335  -2.574  -7.902
  165    HE1  PHE  71           HE1      PHE  71   3.365  -0.114  -3.705
  166    HE2  PHE  71           HE2      PHE  71   3.086  -3.689  -6.072
  167    HZ   PHE  71           HZ       PHE  71   2.601  -2.459  -3.974
  168    H    CYS  72           H        CYS  72   3.435   2.596 -10.342
  169    HA   CYS  72           HA       CYS  72   5.960   3.272 -11.672
  170   1HB   CYS  72          1HB       CYS  72   3.131   4.354 -11.800
  171   2HB   CYS  72          2HB       CYS  72   4.425   4.832 -12.901
  172    H    LEU  73           H        LEU  73   6.282   5.790 -11.968
  173    HA   LEU  73           HA       LEU  73   7.132   6.909  -9.482
  174   1HB   LEU  73          1HB       LEU  73   6.934   7.636 -12.326
  175   2HB   LEU  73          2HB       LEU  73   6.841   9.028 -11.247
  176    HG   LEU  73           HG       LEU  73   8.911   8.150 -10.093
  177   1HD1  LEU  73          1HD1      LEU  73   8.916   6.302 -12.501
  178   2HD1  LEU  73          2HD1      LEU  73  10.261   6.502 -11.379
  179   3HD1  LEU  73          3HD1      LEU  73   8.739   5.812 -10.816
  180   1HD2  LEU  73          1HD2      LEU  73   8.771   9.864 -12.069
  181   2HD2  LEU  73          2HD2      LEU  73  10.344   9.203 -11.625
  182   3HD2  LEU  73          3HD2      LEU  73   9.479   8.559 -13.021
  183    HA   PRO  74           HA       PRO  74   3.458   8.677  -7.830
  184   1HB   PRO  74          1HB       PRO  74   4.378  11.026  -6.753
  185   2HB   PRO  74          2HB       PRO  74   4.671   9.435  -6.021
  186   1HG   PRO  74          1HG       PRO  74   6.466  11.080  -7.748
  187   2HG   PRO  74          2HG       PRO  74   6.847  10.162  -6.281
  188   1HD   PRO  74          1HD       PRO  74   7.416   9.219  -8.737
  189   2HD   PRO  74          2HD       PRO  74   6.934   8.144  -7.403
  190    H    ALA  75           H        ALA  75   5.250  10.327 -10.292
  191    HA   ALA  75           HA       ALA  75   3.179  12.421 -10.654
  192   1HB   ALA  75          1HB       ALA  75   5.948  11.821 -11.604
  193   2HB   ALA  75          2HB       ALA  75   4.931  12.827 -12.636
  194   3HB   ALA  75          3HB       ALA  75   5.281  13.331 -10.983
  195    H    PHE  76           H        PHE  76   2.942   9.326 -11.280
  196    HA   PHE  76           HA       PHE  76   1.992   9.683 -14.109
  197   1HB   PHE  76          1HB       PHE  76   3.262   7.342 -12.662
  198   2HB   PHE  76          2HB       PHE  76   2.546   7.212 -14.268
  199    HD1  PHE  76           HD1      PHE  76   5.043   9.219 -12.330
  200    HD2  PHE  76           HD2      PHE  76   3.830   7.717 -16.164
  201    HE1  PHE  76           HE1      PHE  76   7.139  10.083 -13.330
  202    HE2  PHE  76           HE2      PHE  76   5.929   8.576 -17.165
  203    HZ   PHE  76           HZ       PHE  76   7.585   9.761 -15.745
  204    H    GLU  77           H        GLU  77   0.114   8.299 -14.665
  205    HA   GLU  77           HA       GLU  77  -1.459   7.216 -12.389
  206   1HB   GLU  77          1HB       GLU  77  -1.748   9.819 -13.119
  207   2HB   GLU  77          2HB       GLU  77  -2.914   9.060 -14.205
  208   1HG   GLU  77          1HG       GLU  77  -4.260   9.364 -12.349
  209   2HG   GLU  77          2HG       GLU  77  -3.605   7.768 -11.980
  210    H    GLY  78           H        GLY  78  -3.579   6.248 -13.309
  211   1HA   GLY  78          1HA       GLY  78  -4.740   5.367 -15.307
  212   2HA   GLY  78          2HA       GLY  78  -3.164   5.230 -16.089
  213    H    ARG  79           H        ARG  79  -5.193   3.116 -15.576
  214    HA   ARG  79           HA       ARG  79  -4.465   1.382 -13.434
  215   1HB   ARG  79          1HB       ARG  79  -6.362   1.415 -15.331
  216   2HB   ARG  79          2HB       ARG  79  -5.257   0.272 -16.095
  217   1HG   ARG  79          1HG       ARG  79  -5.480  -1.298 -14.388
  218   2HG   ARG  79          2HG       ARG  79  -5.955  -0.085 -13.198
  219   1HD   ARG  79          1HD       ARG  79  -7.685  -0.862 -15.573
  220   2HD   ARG  79          2HD       ARG  79  -7.873  -1.543 -13.945
  221    HE   ARG  79           HE       ARG  79  -7.769   1.347 -13.847
  222   1HH1  ARG  79          1HH1      ARG  79  -9.846  -1.428 -14.220
  223   2HH1  ARG  79          2HH1      ARG  79 -11.294  -0.503 -14.028
  224   1HH2  ARG  79          1HH2      ARG  79  -9.673   2.539 -13.738
  225   2HH2  ARG  79          2HH2      ARG  79 -11.200   1.720 -13.756
  226    H    ASN  80           H        ASN  80  -3.282   1.496 -16.805
  227    HA   ASN  80           HA       ASN  80  -1.085  -0.398 -16.086
  228   1HB   ASN  80          1HB       ASN  80  -2.298   0.614 -18.675
  229   2HB   ASN  80          2HB       ASN  80  -0.856  -0.401 -18.630
  230   1HD2  ASN  80          2HD2      ASN  80  -1.428  -2.275 -16.681
  231   2HD2  ASN  80          1HD2      ASN  80  -2.821  -3.155 -17.086
  232    H    CYS  81           H        CYS  81  -1.231   2.543 -15.356
  233    HA   CYS  81           HA       CYS  81   0.191   4.419 -15.322
  234   1HB   CYS  81          1HB       CYS  81   2.002   2.123 -16.089
  235   2HB   CYS  81          2HB       CYS  81   2.627   3.741 -15.790
  236    H    GLU  82           H        GLU  82  -1.356   4.464 -17.575
  237    HA   GLU  82           HA       GLU  82   0.539   5.089 -19.813
  238   1HB   GLU  82          1HB       GLU  82  -1.473   4.720 -21.238
  239   2HB   GLU  82          2HB       GLU  82  -1.093   3.307 -20.255
  240   1HG   GLU  82          1HG       GLU  82  -2.853   3.782 -18.713
  241   2HG   GLU  82          2HG       GLU  82  -3.075   5.409 -19.358
  242    H    THR  83           H        THR  83  -0.390   6.834 -17.447
  243    HA   THR  83           HA       THR  83  -1.238   9.166 -19.115
  244    HB   THR  83           HB       THR  83  -2.465   8.284 -16.481
  245    HG1  THR  83           HG1      THR  83  -3.358   6.986 -17.930
  246   1HG2  THR  83          1HG2      THR  83  -2.335  10.783 -17.026
  247   2HG2  THR  83          2HG2      THR  83  -3.430  10.438 -18.365
  248   3HG2  THR  83          3HG2      THR  83  -3.943  10.135 -16.705
  249    H    HIS  84           H        HIS  84   0.574  10.445 -18.842
  250    HA   HIS  84           HA       HIS  84   2.057  10.518 -16.306
  251   1HB   HIS  84          1HB       HIS  84   2.875  10.699 -18.779
  252   2HB   HIS  84          2HB       HIS  84   2.374  12.386 -18.654
  253    HD1  HIS  84           HD1      HIS  84   5.401  11.329 -18.853
  254    HD2  HIS  84           HD2      HIS  84   3.456  12.589 -15.388
  255    HE1  HIS  84           HE1      HIS  84   7.214  12.020 -17.225
  256    H    LYS  85           H        LYS  85   1.633  11.943 -14.670
  257    HA   LYS  85           HA       LYS  85  -0.486  13.957 -14.964
  258   1HB   LYS  85          1HB       LYS  85   1.353  13.080 -12.717
  259   2HB   LYS  85          2HB       LYS  85   0.070  14.272 -12.516
  260   1HG   LYS  85          1HG       LYS  85  -0.567  11.602 -13.737
  261   2HG   LYS  85          2HG       LYS  85  -0.425  11.748 -11.985
  262   1HD   LYS  85          1HD       LYS  85  -2.209  13.503 -13.697
  263   2HD   LYS  85          2HD       LYS  85  -2.768  12.078 -12.818
  264   1HE   LYS  85          1HE       LYS  85  -1.718  13.206 -10.724
  265   2HE   LYS  85          2HE       LYS  85  -1.744  14.689 -11.699
  266   1HZ   LYS  85          1HZ       LYS  85  -4.100  14.177 -12.218
  267   2HZ   LYS  85          2HZ       LYS  85  -4.044  12.912 -11.085
  268   3HZ   LYS  85          3HZ       LYS  85  -3.831  14.516 -10.576
  269    H    ASP  86           H        ASP  86  -0.120  16.084 -15.442
  270    HA   ASP  86           HA       ASP  86   2.667  17.159 -15.120
  271   1HB   ASP  86          1HB       ASP  86   1.490  16.634 -17.461
  272   2HB   ASP  86          2HB       ASP  86   0.756  18.211 -17.169
  273    H    ASP  87           H        ASP  87   0.318  17.290 -13.257
  274    HA   ASP  87           HA       ASP  87  -0.180  20.250 -13.293
  275   1HB   ASP  87          1HB       ASP  87  -1.754  17.836 -12.398
  276   2HB   ASP  87          2HB       ASP  87  -2.145  19.443 -11.783
  277    H    GLY  88           H        GLY  88  -0.351  17.707 -10.783
  278   1HA   GLY  88          1HA       GLY  88   1.389  17.578  -9.007
  279   2HA   GLY  88          2HA       GLY  88   1.542  19.332  -9.130
  280    H    SER  89           H        SER  89   1.042  19.541  -6.863
  281    HA   SER  89           HA       SER  89  -1.688  18.732  -5.995
  282   1HB   SER  89          1HB       SER  89  -0.757  19.449  -3.768
  283   2HB   SER  89          2HB       SER  89   0.198  18.195  -4.554
  284    HG   SER  89           HG       SER  89   1.455  19.965  -3.736
  285    H    ALA  90           H        ALA  90   0.310  21.657  -5.458
  286    HA   ALA  90           HA       ALA  90  -2.167  23.314  -5.654
  287   1HB   ALA  90          1HB       ALA  90  -0.239  23.171  -3.757
  288   2HB   ALA  90          2HB       ALA  90   0.450  24.431  -4.782
  289   3HB   ALA  90          3HB       ALA  90  -1.152  24.646  -4.077
  Start of MODEL   20
    1   1H    SER  45          1H        SER  45   1.014 -15.003  -8.676
    2   2H    SER  45          2H        SER  45   2.276 -16.134  -8.723
    3   3H    SER  45          3H        SER  45   1.030 -16.205  -9.876
    4    HA   SER  45           HA       SER  45   0.700 -17.928  -8.215
    5   1HB   SER  45          1HB       SER  45   0.349 -17.079  -5.855
    6   2HB   SER  45          2HB       SER  45   1.989 -16.870  -6.461
    7    HG   SER  45           HG       SER  45   1.686 -14.755  -6.587
    8    H    ASP  46           H        ASP  46  -1.442 -18.563  -8.161
    9    HA   ASP  46           HA       ASP  46  -3.781 -18.435  -8.470
   10   1HB   ASP  46          1HB       ASP  46  -3.380 -17.422  -6.193
   11   2HB   ASP  46          2HB       ASP  46  -3.389 -15.834  -6.960
   12    H    GLY  47           H        GLY  47  -2.425 -17.572 -10.735
   13   1HA   GLY  47          1HA       GLY  47  -3.736 -16.570 -12.647
   14   2HA   GLY  47          2HA       GLY  47  -4.009 -15.180 -11.595
   15    H    ASP  48           H        ASP  48  -2.855 -14.690 -14.022
   16    HA   ASP  48           HA       ASP  48  -0.091 -13.883 -13.243
   17   1HB   ASP  48          1HB       ASP  48  -0.527 -16.113 -14.711
   18   2HB   ASP  48          2HB       ASP  48  -0.508 -14.914 -16.005
   19    H    GLN  49           H        GLN  49  -1.383 -11.798 -13.097
   20    HA   GLN  49           HA       GLN  49  -2.370 -10.627 -15.609
   21   1HB   GLN  49          1HB       GLN  49  -1.974  -9.589 -12.783
   22   2HB   GLN  49          2HB       GLN  49  -2.776  -8.684 -14.066
   23   1HG   GLN  49          1HG       GLN  49  -3.651 -11.423 -13.105
   24   2HG   GLN  49          2HG       GLN  49  -4.382  -9.904 -12.583
   25   1HE2  GLN  49          2HE2      GLN  49  -3.936 -12.040 -15.398
   26   2HE2  GLN  49          1HE2      GLN  49  -5.171 -11.344 -16.332
   27    H    CYS  50           H        CYS  50   0.557 -10.543 -13.661
   28    HA   CYS  50           HA       CYS  50   1.661  -8.257 -15.212
   29   1HB   CYS  50          1HB       CYS  50   2.577  -9.875 -12.815
   30   2HB   CYS  50          2HB       CYS  50   3.517  -8.555 -13.514
   31    H    ALA  51           H        ALA  51   1.199 -10.924 -16.483
   32    HA   ALA  51           HA       ALA  51   3.909 -12.060 -16.823
   33   1HB   ALA  51          1HB       ALA  51   1.385 -13.083 -16.760
   34   2HB   ALA  51          2HB       ALA  51   1.630 -12.940 -18.501
   35   3HB   ALA  51          3HB       ALA  51   2.745 -13.899 -17.528
   36    H    SER  52           H        SER  52   2.820  -9.285 -17.962
   37    HA   SER  52           HA       SER  52   4.172  -9.608 -20.586
   38   1HB   SER  52          1HB       SER  52   2.181  -8.473 -21.663
   39   2HB   SER  52          2HB       SER  52   1.860 -10.102 -21.075
   40    HG   SER  52           HG       SER  52   1.052  -7.616 -20.057
   41    H    SER  53           H        SER  53   4.377  -8.039 -17.870
   42    HA   SER  53           HA       SER  53   5.017  -5.872 -17.178
   43   1HB   SER  53          1HB       SER  53   5.844  -5.783 -20.098
   44   2HB   SER  53          2HB       SER  53   6.512  -4.796 -18.801
   45    HG   SER  53           HG       SER  53   7.664  -6.814 -19.426
   46    HA   PRO  54           HA       PRO  54   1.325  -3.991 -19.429
   47   1HB   PRO  54          1HB       PRO  54  -0.422  -3.940 -17.325
   48   2HB   PRO  54          2HB       PRO  54  -0.298  -5.311 -18.445
   49   1HG   PRO  54          1HG       PRO  54   0.823  -4.996 -15.708
   50   2HG   PRO  54          2HG       PRO  54   0.123  -6.424 -16.485
   51   1HD   PRO  54          1HD       PRO  54   2.807  -6.022 -16.197
   52   2HD   PRO  54          2HD       PRO  54   2.090  -7.000 -17.495
   53    H    CYS  55           H        CYS  55   2.896  -3.472 -16.329
   54    HA   CYS  55           HA       CYS  55   1.914  -0.823 -15.778
   55   1HB   CYS  55          1HB       CYS  55   4.531  -2.189 -15.061
   56   2HB   CYS  55          2HB       CYS  55   3.878  -0.760 -14.262
   57    H    GLN  56           H        GLN  56   2.325   1.005 -16.926
   58    HA   GLN  56           HA       GLN  56   4.544   1.061 -18.895
   59   1HB   GLN  56          1HB       GLN  56   1.957   2.413 -18.384
   60   2HB   GLN  56          2HB       GLN  56   3.205   3.438 -19.089
   61   1HG   GLN  56          1HG       GLN  56   3.410   1.076 -20.553
   62   2HG   GLN  56          2HG       GLN  56   1.672   1.260 -20.310
   63   1HE2  GLN  56          2HE2      GLN  56   0.612   3.102 -21.294
   64   2HE2  GLN  56          1HE2      GLN  56   1.398   4.091 -22.427
   65    H    ASN  57           H        ASN  57   5.181   3.719 -18.975
   66    HA   ASN  57           HA       ASN  57   6.650   5.292 -18.002
   67   1HB   ASN  57          1HB       ASN  57   4.935   4.615 -15.589
   68   2HB   ASN  57          2HB       ASN  57   5.871   6.091 -15.812
   69   1HD2  ASN  57          2HD2      ASN  57   5.127   6.280 -18.746
   70   2HD2  ASN  57          1HD2      ASN  57   3.508   6.781 -18.758
   71    H    GLY  58           H        GLY  58   7.285   2.294 -17.740
   72   1HA   GLY  58          1HA       GLY  58   9.026   1.034 -16.798
   73   2HA   GLY  58          2HA       GLY  58   9.714   2.562 -16.251
   74    H    GLY  59           H        GLY  59   6.590   1.063 -15.423
   75   1HA   GLY  59          1HA       GLY  59   7.306   1.372 -12.552
   76   2HA   GLY  59          2HA       GLY  59   5.672   1.163 -13.178
   77    H    SER  60           H        SER  60   6.521  -0.442 -11.092
   78    HA   SER  60           HA       SER  60   7.330  -3.054 -12.272
   79   1HB   SER  60          1HB       SER  60   8.119  -1.769 -10.049
   80   2HB   SER  60          2HB       SER  60   6.749  -2.643  -9.371
   81    HG   SER  60           HG       SER  60   9.115  -3.587  -9.740
   82    H    CYS  61           H        CYS  61   5.961  -4.888 -12.139
   83    HA   CYS  61           HA       CYS  61   3.083  -4.289 -11.556
   84   1HB   CYS  61          1HB       CYS  61   4.026  -5.034 -13.862
   85   2HB   CYS  61          2HB       CYS  61   4.186  -6.624 -13.118
   86    H    LYS  62           H        LYS  62   2.058  -5.453  -9.962
   87    HA   LYS  62           HA       LYS  62   3.506  -7.798  -8.769
   88   1HB   LYS  62          1HB       LYS  62   2.456  -5.264  -7.632
   89   2HB   LYS  62          2HB       LYS  62   2.125  -6.715  -6.684
   90   1HG   LYS  62          1HG       LYS  62   4.889  -6.398  -7.754
   91   2HG   LYS  62          2HG       LYS  62   4.416  -5.340  -6.425
   92   1HD   LYS  62          1HD       LYS  62   3.587  -7.437  -5.226
   93   2HD   LYS  62          2HD       LYS  62   4.427  -8.363  -6.470
   94   1HE   LYS  62          1HE       LYS  62   6.538  -7.694  -5.736
   95   2HE   LYS  62          2HE       LYS  62   5.920  -6.193  -5.017
   96   1HZ   LYS  62          1HZ       LYS  62   4.639  -7.620  -3.449
   97   2HZ   LYS  62          2HZ       LYS  62   5.490  -8.964  -4.038
   98   3HZ   LYS  62          3HZ       LYS  62   6.323  -7.713  -3.246
   99    H    ASP  63           H        ASP  63   2.219  -9.596  -8.465
  100    HA   ASP  63           HA       ASP  63  -0.504  -9.599  -9.527
  101   1HB   ASP  63          1HB       ASP  63  -0.340 -12.016  -8.963
  102   2HB   ASP  63          2HB       ASP  63   1.083 -11.457  -9.841
  103    H    GLN  64           H        GLN  64  -2.204  -8.897  -8.308
  104    HA   GLN  64           HA       GLN  64  -2.088  -9.244  -5.333
  105   1HB   GLN  64          1HB       GLN  64  -3.351  -7.267  -7.226
  106   2HB   GLN  64          2HB       GLN  64  -3.955  -7.429  -5.577
  107   1HG   GLN  64          1HG       GLN  64  -1.004  -7.128  -6.031
  108   2HG   GLN  64          2HG       GLN  64  -2.037  -5.700  -6.103
  109   1HE2  GLN  64          2HE2      GLN  64  -0.005  -6.614  -3.989
  110   2HE2  GLN  64          1HE2      GLN  64  -0.875  -6.574  -2.532
  111    H    LEU  65           H        LEU  65  -2.982 -11.358  -5.215
  112    HA   LEU  65           HA       LEU  65  -4.683 -12.976  -5.137
  113   1HB   LEU  65          1HB       LEU  65  -5.869 -10.322  -4.770
  114   2HB   LEU  65          2HB       LEU  65  -7.029 -11.483  -5.409
  115    HG   LEU  65           HG       LEU  65  -7.038 -11.478  -2.940
  116   1HD1  LEU  65          1HD1      LEU  65  -6.396 -13.826  -4.593
  117   2HD1  LEU  65          2HD1      LEU  65  -6.049 -14.054  -2.879
  118   3HD1  LEU  65          3HD1      LEU  65  -7.673 -13.604  -3.399
  119   1HD2  LEU  65          1HD2      LEU  65  -4.453 -10.923  -2.974
  120   2HD2  LEU  65          2HD2      LEU  65  -5.143 -11.840  -1.635
  121   3HD2  LEU  65          3HD2      LEU  65  -4.287 -12.680  -2.928
  122    H    GLN  66           H        GLN  66  -6.581 -10.807  -7.225
  123    HA   GLN  66           HA       GLN  66  -6.299 -12.826  -9.428
  124   1HB   GLN  66          1HB       GLN  66  -8.501 -12.620  -8.165
  125   2HB   GLN  66          2HB       GLN  66  -8.641 -10.995  -8.836
  126   1HG   GLN  66          1HG       GLN  66  -8.076 -13.268 -10.703
  127   2HG   GLN  66          2HG       GLN  66  -9.719 -13.066 -10.092
  128   1HE2  GLN  66          2HE2      GLN  66 -10.196 -10.402 -10.074
  129   2HE2  GLN  66          1HE2      GLN  66  -9.941  -9.700 -11.598
  130    H    SER  67           H        SER  67  -6.853  -9.376  -8.695
  131    HA   SER  67           HA       SER  67  -6.346  -8.544 -11.465
  132   1HB   SER  67          1HB       SER  67  -6.848  -6.359 -10.577
  133   2HB   SER  67          2HB       SER  67  -7.935  -7.491  -9.778
  134    HG   SER  67           HG       SER  67  -6.784  -7.327  -7.954
  135    H    TYR  68           H        TYR  68  -4.806  -6.190 -10.864
  136    HA   TYR  68           HA       TYR  68  -2.211  -7.254  -9.840
  137   1HB   TYR  68          1HB       TYR  68  -1.117  -6.360 -11.900
  138   2HB   TYR  68          2HB       TYR  68  -2.268  -7.645 -12.259
  139    HD1  TYR  68           HD1      TYR  68  -1.880  -3.933 -12.144
  140    HD2  TYR  68           HD2      TYR  68  -4.123  -7.258 -13.682
  141    HE1  TYR  68           HE1      TYR  68  -3.125  -2.401 -13.643
  142    HE2  TYR  68           HE2      TYR  68  -5.368  -5.726 -15.180
  143    HH   TYR  68           HH       TYR  68  -5.938  -3.391 -15.359
  144    H    ILE  69           H        ILE  69  -0.568  -5.372  -9.768
  145    HA   ILE  69           HA       ILE  69  -1.842  -2.712  -9.354
  146    HB   ILE  69           HB       ILE  69  -1.954  -3.954  -7.221
  147   1HG1  ILE  69          1HG1      ILE  69   0.309  -2.085  -6.722
  148   2HG1  ILE  69          2HG1      ILE  69  -1.105  -1.418  -7.539
  149   1HG2  ILE  69          1HG2      ILE  69   0.242  -5.269  -7.950
  150   2HG2  ILE  69          2HG2      ILE  69   1.032  -3.991  -7.025
  151   3HG2  ILE  69          3HG2      ILE  69  -0.155  -5.038  -6.247
  152   1HD1  ILE  69          1HD1      ILE  69  -1.643  -3.146  -5.181
  153   2HD1  ILE  69          2HD1      ILE  69  -0.917  -1.573  -4.850
  154   3HD1  ILE  69          3HD1      ILE  69  -2.456  -1.671  -5.705
  155    H    CYS  70           H        CYS  70  -0.579  -1.351 -10.555
  156    HA   CYS  70           HA       CYS  70   2.232  -2.047 -11.141
  157   1HB   CYS  70          1HB       CYS  70   0.220   0.005 -12.065
  158   2HB   CYS  70          2HB       CYS  70   1.917   0.125 -12.534
  159    H    PHE  71           H        PHE  71   3.975  -1.036 -10.219
  160    HA   PHE  71           HA       PHE  71   3.451   1.102  -8.196
  161   1HB   PHE  71          1HB       PHE  71   5.569  -0.996  -8.665
  162   2HB   PHE  71          2HB       PHE  71   5.886   0.369  -7.594
  163    HD1  PHE  71           HD1      PHE  71   4.363   0.778  -5.622
  164    HD2  PHE  71           HD2      PHE  71   4.178  -2.807  -7.982
  165    HE1  PHE  71           HE1      PHE  71   3.107  -0.352  -3.807
  166    HE2  PHE  71           HE2      PHE  71   2.922  -3.937  -6.167
  167    HZ   PHE  71           HZ       PHE  71   2.386  -2.710  -4.079
  168    H    CYS  72           H        CYS  72   3.372   2.864  -9.741
  169    HA   CYS  72           HA       CYS  72   5.860   3.361 -11.321
  170   1HB   CYS  72          1HB       CYS  72   3.065   4.542 -11.387
  171   2HB   CYS  72          2HB       CYS  72   4.367   4.994 -12.488
  172    H    LEU  73           H        LEU  73   6.292   5.857 -11.492
  173    HA   LEU  73           HA       LEU  73   6.910   6.846  -8.820
  174   1HB   LEU  73          1HB       LEU  73   7.109   8.060 -11.600
  175   2HB   LEU  73          2HB       LEU  73   7.861   8.736 -10.158
  176    HG   LEU  73           HG       LEU  73   8.370   5.883 -10.912
  177   1HD1  LEU  73          1HD1      LEU  73   9.232   8.274 -12.390
  178   2HD1  LEU  73          2HD1      LEU  73  10.564   7.234 -11.888
  179   3HD1  LEU  73          3HD1      LEU  73   9.261   6.578 -12.876
  180   1HD2  LEU  73          1HD2      LEU  73   9.559   7.986  -9.166
  181   2HD2  LEU  73          2HD2      LEU  73   9.365   6.258  -8.867
  182   3HD2  LEU  73          3HD2      LEU  73  10.671   6.832  -9.903
  183    HA   PRO  74           HA       PRO  74   3.389   9.401  -8.142
  184   1HB   PRO  74          1HB       PRO  74   4.461  11.738  -7.189
  185   2HB   PRO  74          2HB       PRO  74   4.364  10.248  -6.229
  186   1HG   PRO  74          1HG       PRO  74   6.677  11.382  -7.731
  187   2HG   PRO  74          2HG       PRO  74   6.635  10.623  -6.130
  188   1HD   PRO  74          1HD       PRO  74   7.479   9.306  -8.328
  189   2HD   PRO  74          2HD       PRO  74   6.640   8.486  -6.993
  190    H    ALA  75           H        ALA  75   5.762  10.267 -10.478
  191    HA   ALA  75           HA       ALA  75   4.337  12.681 -11.416
  192   1HB   ALA  75          1HB       ALA  75   6.858  12.313 -11.348
  193   2HB   ALA  75          2HB       ALA  75   6.640  11.165 -12.668
  194   3HB   ALA  75          3HB       ALA  75   6.221  12.862 -12.898
  195    H    PHE  76           H        PHE  76   3.519   9.520 -11.633
  196    HA   PHE  76           HA       PHE  76   2.651   9.741 -14.500
  197   1HB   PHE  76          1HB       PHE  76   3.503   7.409 -12.767
  198   2HB   PHE  76          2HB       PHE  76   2.688   7.186 -14.317
  199    HD1  PHE  76           HD1      PHE  76   3.724   8.891 -16.219
  200    HD2  PHE  76           HD2      PHE  76   5.813   7.234 -12.853
  201    HE1  PHE  76           HE1      PHE  76   5.883   9.220 -17.395
  202    HE2  PHE  76           HE2      PHE  76   7.971   7.563 -14.029
  203    HZ   PHE  76           HZ       PHE  76   8.006   8.555 -16.298
  204    H    GLU  77           H        GLU  77   0.562   8.581 -14.935
  205    HA   GLU  77           HA       GLU  77  -1.207   8.199 -12.572
  206   1HB   GLU  77          1HB       GLU  77  -1.041  10.617 -13.870
  207   2HB   GLU  77          2HB       GLU  77  -2.361   9.840 -14.743
  208   1HG   GLU  77          1HG       GLU  77  -2.423   9.605 -11.779
  209   2HG   GLU  77          2HG       GLU  77  -2.740  11.207 -12.446
  210    H    GLY  78           H        GLY  78  -3.404   7.358 -13.351
  211   1HA   GLY  78          1HA       GLY  78  -4.712   6.252 -15.100
  212   2HA   GLY  78          2HA       GLY  78  -3.203   5.888 -15.939
  213    H    ARG  79           H        ARG  79  -5.299   3.997 -15.096
  214    HA   ARG  79           HA       ARG  79  -4.608   2.520 -12.755
  215   1HB   ARG  79          1HB       ARG  79  -6.677   2.287 -14.124
  216   2HB   ARG  79          2HB       ARG  79  -5.721   1.554 -15.412
  217   1HG   ARG  79          1HG       ARG  79  -5.186  -0.346 -14.072
  218   2HG   ARG  79          2HG       ARG  79  -5.761   0.439 -12.601
  219   1HD   ARG  79          1HD       ARG  79  -7.667   0.016 -14.899
  220   2HD   ARG  79          2HD       ARG  79  -7.328  -1.310 -13.767
  221    HE   ARG  79           HE       ARG  79  -7.792   0.683 -12.018
  222   1HH1  ARG  79          1HH1      ARG  79  -9.598  -0.497 -14.752
  223   2HH1  ARG  79          2HH1      ARG  79 -11.065   0.267 -14.250
  224   1HH2  ARG  79          1HH2      ARG  79  -9.680   1.778 -11.464
  225   2HH2  ARG  79          2HH2      ARG  79 -11.115   1.543 -12.406
  226    H    ASN  80           H        ASN  80  -3.479   2.188 -16.123
  227    HA   ASN  80           HA       ASN  80  -1.399   0.240 -15.216
  228   1HB   ASN  80          1HB       ASN  80  -2.770   0.920 -17.815
  229   2HB   ASN  80          2HB       ASN  80  -1.250   0.024 -17.819
  230   1HD2  ASN  80          2HD2      ASN  80  -1.232  -2.092 -16.649
  231   2HD2  ASN  80          1HD2      ASN  80  -2.686  -2.936 -16.418
  232    H    CYS  81           H        CYS  81  -1.316   3.236 -14.857
  233    HA   CYS  81           HA       CYS  81   0.225   5.004 -15.112
  234   1HB   CYS  81          1HB       CYS  81   1.935   2.596 -15.807
  235   2HB   CYS  81          2HB       CYS  81   2.570   4.191 -15.411
  236    H    GLU  82           H        GLU  82  -1.419   4.868 -17.300
  237    HA   GLU  82           HA       GLU  82   0.379   4.997 -19.690
  238   1HB   GLU  82          1HB       GLU  82  -1.770   4.773 -20.931
  239   2HB   GLU  82          2HB       GLU  82  -1.522   3.447 -19.798
  240   1HG   GLU  82          1HG       GLU  82  -2.930   5.772 -18.642
  241   2HG   GLU  82          2HG       GLU  82  -3.809   4.969 -19.943
  242    H    THR  83           H        THR  83  -0.217   7.138 -17.485
  243    HA   THR  83           HA       THR  83  -0.742   9.356 -19.417
  244    HB   THR  83           HB       THR  83  -2.047   8.973 -16.701
  245    HG1  THR  83           HG1      THR  83  -3.881   8.546 -17.887
  246   1HG2  THR  83          1HG2      THR  83  -2.150  11.146 -18.786
  247   2HG2  THR  83          2HG2      THR  83  -3.486  10.899 -17.662
  248   3HG2  THR  83          3HG2      THR  83  -1.882  11.299 -17.050
  249    H    HIS  84           H        HIS  84   1.223  10.407 -19.290
  250    HA   HIS  84           HA       HIS  84   2.752  10.545 -16.784
  251   1HB   HIS  84          1HB       HIS  84   3.543  10.334 -19.259
  252   2HB   HIS  84          2HB       HIS  84   3.275  12.076 -19.330
  253    HD1  HIS  84           HD1      HIS  84   6.143  10.871 -19.535
  254    HD2  HIS  84           HD2      HIS  84   4.423  12.239 -15.993
  255    HE1  HIS  84           HE1      HIS  84   8.060  11.424 -17.975
  256    H    LYS  85           H        LYS  85   1.873  11.935 -15.266
  257    HA   LYS  85           HA       LYS  85   0.547  14.441 -16.049
  258   1HB   LYS  85          1HB       LYS  85   1.157  12.936 -13.510
  259   2HB   LYS  85          2HB       LYS  85   0.537  14.586 -13.437
  260   1HG   LYS  85          1HG       LYS  85  -0.842  12.569 -15.184
  261   2HG   LYS  85          2HG       LYS  85  -1.150  12.569 -13.447
  262   1HD   LYS  85          1HD       LYS  85  -1.275  15.160 -14.957
  263   2HD   LYS  85          2HD       LYS  85  -2.643  14.048 -15.032
  264   1HE   LYS  85          1HE       LYS  85  -3.237  14.436 -12.854
  265   2HE   LYS  85          2HE       LYS  85  -1.549  14.531 -12.312
  266   1HZ   LYS  85          1HZ       LYS  85  -1.400  16.662 -13.568
  267   2HZ   LYS  85          2HZ       LYS  85  -3.079  16.598 -13.796
  268   3HZ   LYS  85          3HZ       LYS  85  -2.439  16.723 -12.227
  269    H    ASP  86           H        ASP  86   3.624  13.427 -14.597
  270    HA   ASP  86           HA       ASP  86   5.594  14.638 -14.110
  271   1HB   ASP  86          1HB       ASP  86   4.347  15.768 -16.561
  272   2HB   ASP  86          2HB       ASP  86   5.624  16.738 -15.828
  273    H    ASP  87           H        ASP  87   3.032  15.401 -12.694
  274    HA   ASP  87           HA       ASP  87   2.271  17.070 -11.204
  275   1HB   ASP  87          1HB       ASP  87   5.233  17.688 -11.438
  276   2HB   ASP  87          2HB       ASP  87   4.180  18.365 -10.196
  277    H    GLY  88           H        GLY  88   2.287  17.667 -14.165
  278   1HA   GLY  88          1HA       GLY  88   2.163  20.645 -13.929
  279   2HA   GLY  88          2HA       GLY  88   2.875  19.882 -15.352
  280    H    SER  89           H        SER  89   1.522  19.487 -17.032
  281    HA   SER  89           HA       SER  89  -1.393  19.897 -16.640
  282   1HB   SER  89          1HB       SER  89   0.380  20.776 -18.488
  283   2HB   SER  89          2HB       SER  89  -0.188  19.318 -19.298
  284    HG   SER  89           HG       SER  89  -1.399  21.665 -19.087
  285    H    ALA  90           H        ALA  90  -2.910  18.265 -17.029
  286    HA   ALA  90           HA       ALA  90  -1.927  15.489 -17.014
  287   1HB   ALA  90          1HB       ALA  90  -3.838  16.514 -15.644
  288   2HB   ALA  90          2HB       ALA  90  -4.772  16.518 -17.140
  289   3HB   ALA  90          3HB       ALA  90  -4.204  14.993 -16.460