*HEADER    VIRAL PROTEIN,METAL BINDING PROTEIN     30-JUN-05   2A51              
*TITLE     STRUCTURE OF THE (13-51) DOMAIN OF THE NUCLEOCAPSID PROTEIN           
*TITLE    2 NCP8 FROM SIVLHOEST                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEOCAPSID PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN;                                        
*COMPND   5 SYNONYM: NUCLEOCAPSID PROTEIN NCP8;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN                     
*SOURCE   4 SIV(SIMIAN IMMUNODEFICIENCY VIRUS)                                   
*KEYWDS    SIVLHOEST, NMR STRUCTURE, NCP8, NUCLEOCAPSID                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.MORELLET, H.MEUDAL, S.BOUAZIZ, B.P.ROQUES                           
*REVDAT   1   20-JUN-06 2A51    0                                                


! intra residue NOEs
!
1:THR_2:HN 1:THR_2:HA 1.8 3.5 
1:THR_2:HN 1:THR_2:HB 1.8 3.5 
1:THR_2:HN 1:THR_2:HG2* 1.8 4.5 
!
1:CYS_3:HN 1:CYS_3:HA 1.8 3.0 
1:CYS_3:HN 1:CYS_3:HB1 1.8 2.5 
1:CYS_3:HN 1:CYS_3:HB2 1.8 2.5 
!
1:PHE_4:HN 1:PHE_4:HA 1.8 3.0 
1:PHE_4:HN 1:PHE_4:HB1 1.8 3.5 
1:PHE_4:HN 1:PHE_4:HB2 1.8 3.0 
!
1:ASN_5:HA      1:ASN_5:HN      1.8     3.0
1:ASN_5:HN 1:ASN_5:HB1 1.8 3.5 
1:ASN_5:HN 1:ASN_5:HB2 1.8 3.5 
!
1:CYS_6:HN 1:CYS_6:HA 1.8 3.0 
1:CYS_6:HN 1:CYS_6:HB1 1.8 3.5 
1:CYS_6:HN 1:CYS_6:HB2 1.8 3.5 
!
1:GLY_7:HN 1:GLY_7:HA1 1.8 2.5 
1:GLY_7:HN 1:GLY_7:HA2 1.8 3.0 
!
1:LYS_8:HN 1:LYS_8:HA 1.8 3.0 
1:LYS_8:HN 1:LYS_8:HB1 1.8 3.0 
1:LYS_8:HN 1:LYS_8:HB2 1.8 3.5 
1:LYS_8:HN 1:LYS_8:HG1 1.8 4.0 
1:LYS_8:HN 1:LYS_8:HG2 1.8 4.0 
!
1:GLY_10:HN 1:GLY_10:HA1 1.8 2.5 
1:GLY_10:HN 1:GLY_10:HA2 1.8 3.0 
!
1:HISD_11:HN 1:HISD_11:HA 1.8 3.0 
1:HISD_11:HN 1:HISD_11:HB1 1.8 4.0 
1:HISD_11:HN 1:HISD_11:HB2 1.8 4.0 
1:HISD_11:HB1 1:HISD_11:HD2 1.8 4.0 
1:HISD_11:HB2 1:HISD_11:HD2 1.8 3.5 
!
1:THR_12:HN 1:THR_12:HA 1.8 3.5 
1:THR_12:HN 1:THR_12:HB 1.8 3.5 
1:THR_12:HN 1:THR_12:HG2* 1.8 5.0 
!
1:ALA_13:HN 1:ALA_13:HA 1.8 3.0 
1:ALA_13:HN 1:ALA_13:HB* 1.8 3.5 
!
1:ARG_14:HN 1:ARG_14:HA 1.8 3.0 
1:ARG_14:HN 1:ARG_14:HB1 1.8 2.5 
1:ARG_14:HN 1:ARG_14:HB2 1.8 2.5 
1:ARG_14:HN 1:ARG_14:HG* 1.8 4.5 
!
1:MET_15:HN 1:MET_15:HA 1.8 3.0 
1:MET_15:HN 1:MET_15:HB1 1.8 3.5 
1:MET_15:HN 1:MET_15:HB2 1.8 3.5 
1:MET_15:HN 1:MET_15:HG1 1.8 3.5 
1:MET_15:HN 1:MET_15:HG2 1.8 3.0 
!
1:CYS_16:HN 1:CYS_16:HA 1.8 3.0 
1:CYS_16:HN 1:CYS_16:HB1 1.8 2.5 
1:CYS_16:HN 1:CYS_16:HB2 1.8 3.0 
!
1:ARG_17:HN 1:ARG_17:HA 1.8 3.5 
1:ARG_17:HN 1:ARG_17:HB1 1.8 3.0 
1:ARG_17:HN 1:ARG_17:HB2 1.8 3.0 
1:ARG_17:HN 1:ARG_17:HG* 1.8 4.5 
!
1:GLN_18:HN 1:GLN_18:HA 1.8 3.0 
1:GLN_18:HN 1:GLN_18:HB1 1.8 3.5 
1:GLN_18:HN 1:GLN_18:HB2 1.8 3.0 
1:GLN_18:HN 1:GLN_18:HG* 1.8 4.0 
!
1:ARG_20:HN 1:ARG_20:HA 1.8 3.0 
1:ARG_20:HN 1:ARG_20:HB* 1.8 3.5 
1:ARG_20:HN 1:ARG_20:HG1 1.8 3.5 
1:ARG_20:HN 1:ARG_20:HG2 1.8 4.0 
!
1:GLN_21:HN 1:GLN_21:HA 1.8 3.0 
1:GLN_21:HN 1:GLN_21:HB1 1.8 3.0 
1:GLN_21:HN 1:GLN_21:HB2 1.8 2.5 
1:GLN_21:HN 1:GLN_21:HG* 1.8 4.5 
!
1:GLUN_22:HN 1:GLUN_22:HA 1.8 3.0 
1:GLUN_22:HN 1:GLUN_22:HB1 1.8 3.5 
1:GLUN_22:HN 1:GLUN_22:HB2 1.8 3.0 
1:GLUN_22:HN 1:GLUN_22:HG1 1.8 3.5 
1:GLUN_22:HN 1:GLUN_22:HG2 1.8 3.5 
!
1:GLY_23:HN 1:GLY_23:HA* 1.8 3.5 
!
1:CYS_24:HN 1:CYS_24:HA 1.8 3.0 
1:CYS_24:HN 1:CYS_24:HB1 1.8 3.0 
1:CYS_24:HN 1:CYS_24:HB2 1.8 3.0 
!
1:TRP_25:HN 1:TRP_25:HB1 1.8 3.5 
1:TRP_25:HN 1:TRP_25:HB2 1.8 3.5 
1:TRP_25:HN 1:TRP_25:HA 1.8 3.0 
1:TRP_25:HB1 1:TRP_25:HE3 1.8 4.0 
1:TRP_25:HB2 1:TRP_25:HE3 1.8 4.0 
1:TRP_25:HB1 1:TRP_25:HD1 1.8 3.5 
1:TRP_25:HB2 1:TRP_25:HD1 1.8 3.5 
!
1:ASN_26:HN 1:ASN_26:HA 1.8 3.0 
1:ASN_26:HN 1:ASN_26:HB1 1.8 3.0 
1:ASN_26:HN 1:ASN_26:HB2 1.8 3.0 
!
1:CYS_27:HN 1:CYS_27:HA 1.8 3.0 
1:CYS_27:HN 1:CYS_27:HB1 1.8 3.5 
1:CYS_27:HN 1:CYS_27:HB2 1.8 3.5 
!
1:GLY_28:HN 1:GLY_28:HA1 1.8 2.5 
1:GLY_28:HN 1:GLY_28:HA2 1.8 3.0 
!
1:SER_29:HN 1:SER_29:HA 1.8 3.0 
1:SER_29:HN 1:SER_29:HB1 1.8 3.0 
1:SER_29:HN 1:SER_29:HB2 1.8 3.0 
!
1:LYS_30:HN 1:LYS_30:HA 1.8 3.0 
1:LYS_30:HN 1:LYS_30:HB1 1.8 3.5 
1:LYS_30:HN 1:LYS_30:HB2 1.8 3.0 
1:LYS_30:HN 1:LYS_30:HG* 1.8 4.0 
!
1:GLUN_31:HN 1:GLUN_31:HA 1.8 3.0 
1:GLUN_31:HN 1:GLUN_31:HB1 1.8 3.5 
1:GLUN_31:HN 1:GLUN_31:HB2 1.8 3.0 
1:GLUN_31:HN 1:GLUN_31:HG1 1.8 3.0 
1:GLUN_31:HN 1:GLUN_31:HG2 1.8 3.5 
!
1:HISD_32:HN 1:HISD_32:HA 1.8 3.0 
!
1:ARG_33:HN 1:ARG_33:HA 1.8 3.5 
1:ARG_33:HN 1:ARG_33:HB1 1.8 3.5 
1:ARG_33:HN 1:ARG_33:HB2 1.8 3.5 
1:ARG_33:HN 1:ARG_33:HG1 1.8 3.5 
1:ARG_33:HN 1:ARG_33:HG2 1.8 4.0 
!
1:PHE_34:HN 1:PHE_34:HA 1.8 3.0 
1:PHE_34:HN 1:PHE_34:HB1 1.8 3.0 
1:PHE_34:HN 1:PHE_34:HB2 1.8 3.0 
1:PHE_34:HA 1:PHE_34:HD* 1.8 4.5 
1:PHE_34:HB1 1:PHE_34:HD* 1.8 4.5 
1:PHE_34:HB2 1:PHE_34:HD* 1.8 4.5 
!
1:ALA_35:HN 1:ALA_35:HA 1.8 3.0 
1:ALA_35:HN 1:ALA_35:HB* 1.8 3.5 
!
1:GLN_36:HN 1:GLN_36:HA 1.8 3.0 
1:GLN_36:HN 1:GLN_36:HB1 1.8 3.5 
1:GLN_36:HN 1:GLN_36:HB2 1.8 3.5 
1:GLN_36:HN 1:GLN_36:HG1 1.8 3.5 
1:GLN_36:HN 1:GLN_36:HG2 1.8 3.0 
!
1:CYS_37:HN 1:CYS_37:HA 1.8 3.0 
1:CYS_37:HN 1:CYS_37:HB1 1.8 2.5 
1:CYS_37:HN 1:CYS_37:HB2 1.8 3.0 
!
1:LYSC_39:HN 1:LYSC_39:HA 1.8 3.0 
1:LYSC_39:HN 1:LYSC_39:HB1 1.8 3.5 
1:LYSC_39:HN 1:LYSC_39:HB2 1.8 3.0 
1:LYSC_39:HN 1:LYSC_39:HG1 1.8 4.5 
1:LYSC_39:HN 1:LYSC_39:HG2 1.8 4.0 
!
!  sequential NOEs
!
1:LEUN_1:HA     1:THR_2:HN      1.8     2.5
1:LEUN_1:HD*    1:THR_2:HN      1.8     6.6
!
1:THR_2:HN 1:CYS_3:HN 1.8 4.5 
1:THR_2:HA      1:CYS_3:HN      1.8     2.5
1:THR_2:HB 1:CYS_3:HN 1.8 4.0 
!
1:CYS_3:HN 1:PHE_4:HN 1.8 4.5 
1:CYS_3:HA      1:PHE_4:HN      1.8     2.5
1:CYS_3:HB1 1:PHE_4:HN 1.8 4.5 
1:CYS_3:HB2 1:PHE_4:HN 1.8 4.5 
!
1:PHE_4:HN 1:ASN_5:HN 1.8 3.0 
1:PHE_4:HA      1:ASN_5:HN      1.8     3.5
1:PHE_4:HB2 1:ASN_5:HN 1.8 4.5 
!
1:ASN_5:HN 1:CYS_6:HN 1.8 2.5 
1:ASN_5:HA      1:CYS_6:HN      1.8     4.0
1:ASN_5:HB1 1:CYS_6:HN 1.8 4.0 
1:ASN_5:HB2 1:CYS_6:HN 1.8 3.5 
1:ASN_5:HD22    1:CYS_6:HN      1.8     4.5
1:ASN_5:HD21    1:CYS_6:HN      1.8     4.5
!
1:CYS_6:HN 1:GLY_7:HN 1.8 2.5 
1:CYS_6:HA      1:GLY_7:HN      1.8     3.5
1:CYS_6:HB1 1:GLY_7:HN 1.8 4.5 
1:CYS_6:HB2 1:GLY_7:HN 1.8 4.5 
!
1:GLY_7:HN 1:LYS_8:HN 1.8 3.0 
1:GLY_7:HA1     1:LYS_8:HN      1.8     3.5
1:GLY_7:HA2     1:LYS_8:HN      1.8     3.5
!
1:LYS_8:HA      1:PRO_9:HD1     1.8     2.5
1:LYS_8:HA      1:PRO_9:HD2     1.8     2.5
!
1:PRO_9:HA 1:GLY_10:HN 1.8     2.5
1:PRO_9:HB1 1:GLY_10:HN 1.8 3.5 
1:PRO_9:HB2 1:GLY_10:HN 1.8 3.0 
!
1:GLY_10:HN 1:HISD_11:HN 1.8 2.5 
1:GLY_10:HA1 1:HISD_11:HN 1.8     3.5
1:GLY_10:HA2 1:HISD_11:HN  1.8     3.5
!
1:HISD_11:HN 1:THR_12:HN 1.8 4.5 
1:HISD_11:HA    1:THR_12:HN     1.8     2.5
1:HISD_11:HB1 1:THR_12:HN 1.8 3.5 
1:HISD_11:HB2 1:THR_12:HN 1.8 3.0 
1:HISD_11:HD2   1:THR_12:HN     1.8     4.0
!
1:THR_12:HN 1:ALA_13:HN 1.8 4.5 
1:THR_12:HA     1:ALA_13:HN     1.8     2.5
1:THR_12:HB 1:ALA_13:HN 1.8 4.0 
1:THR_12:HG2*   1:ALA_13:HN     1.8     4.0
!
1:ALA_13:HN 1:ARG_14:HN 1.8 3.0 
1:ALA_13:HA 1:ARG_14:HN 1.8     4.0 
1:ALA_13:HB* 1:ARG_14:HN 1.8 3.5 
!
1:ARG_14:HN 1:MET_15:HN 1.8 3.0 
1:ARG_14:HA 1:MET_15:HN 1.8     3.5
1:ARG_14:HB1 1:MET_15:HN 1.8 3.5 
1:ARG_14:HB2 1:MET_15:HN 1.8 3.5 
1:ARG_14:HG* 1:MET_15:HN 1.8     5.0 
!
1:MET_15:HN 1:CYS_16:HN 1.8 2.5 
1:MET_15:HA     1:CYS_16:HN     1.8     3.5
1:MET_15:HB1 1:CYS_16:HN 1.8 4.5 
1:MET_15:HB2 1:CYS_16:HN 1.8 3.5 
!
1:CYS_16:HN 1:ARG_17:HN 1.8 4.5 
1:CYS_16:HA 1:ARG_17:HN 1.8     2.5
1:CYS_16:HB1 1:ARG_17:HN 1.8 4.5 
1:CYS_16:HB2 1:ARG_17:HN 1.8 4.5 
!
1:ARG_17:HN 1:GLN_18:HN 1.8 2.5 
1:ARG_17:HA 1:GLN_18:HN 1.8     3.5
1:ARG_17:HB1 1:GLN_18:HN 1.8 4.0 
1:ARG_17:HB2 1:GLN_18:HN 1.8 4.0 
1:ARG_17:HG* 1:GLN_18:HN 1.8     4.5
!
1:GLN_18:HA     1:PRO_19:HD1    1.8     2.5
1:GLN_18:HA     1:PRO_19:HD2    1.8     2.5
!
1:PRO_19:HB1 1:ARG_20:HN 1.8 3.0 
1:PRO_19:HB2 1:ARG_20:HN 1.8 4.0 
1:GLN_18:HB1    1:PRO_19:HD1    1.8     4.0
1:GLN_18:HB2    1:PRO_19:HD1    1.8     4.0
1:GLN_18:HB1    1:PRO_19:HD2    1.8     4.0
1:GLN_18:HB2    1:PRO_19:HD2    1.8     4.5
1:GLN_18:HG*    1:PRO_19:HD1    1.8     4.5
1:GLN_18:HG*    1:PRO_19:HD2    1.8     5.0
1:GLN_18:HN     1:PRO_19:HD1    1.8     5.0
1:GLN_18:HN     1:PRO_19:HD2    1.8     5.0
!
1:PRO_19:HA 1:ARG_20:HN 1.8     2.5
!
1:ARG_20:HA 1:GLN_21:HN 1.8     2.5
1:ARG_20:HN 1:GLN_21:HN 1.8 4.5 
1:ARG_20:HB* 1:GLN_21:HN 1.8 4.0 
1:ARG_20:HG1 1:GLN_21:HN 1.8     4.0
1:ARG_20:HG2 1:GLN_21:HN 1.8     4.0
!
1:GLN_21:HN 1:GLUN_22:HN 1.8 4.5 
1:GLN_21:HB1 1:GLUN_22:HN 1.8 4.0 
1:GLN_21:HB2 1:GLUN_22:HN 1.8 4.0 
!
1:GLUN_22:HN 1:GLY_23:HN 1.8 3.0
1:GLUN_22:HA 1:GLY_23:HN 1.8     3.5 
1:GLUN_22:HB1 1:GLY_23:HN 1.8 3.5 
1:GLUN_22:HB2 1:GLY_23:HN 1.8 3.0 
!
1:GLY_23:HN 1:CYS_24:HN 1.8 4.0 
1:CYS_24:HN     1:GLY_23:HA*    1.8     3.5
!
1:CYS_24:HN 1:TRP_25:HN 1.8 4.5 
1:TRP_25:HN     1:CYS_24:HA     1.8     2.5
1:CYS_24:HB1 1:TRP_25:HN 1.8 4.5 
1:CYS_24:HB2 1:TRP_25:HN 1.8 4.5 
!
1:TRP_25:HN 1:ASN_26:HN 1.8 3.0 
1:TRP_25:HA     1:ASN_26:HN     1.8     3.5
1:TRP_25:HB1 1:ASN_26:HN 1.8 4.0 
1:TRP_25:HB2 1:ASN_26:HN 1.8 4.5 
1:TRP_25:HZ3    1:ASN_26:HA     1.8     3.5
1:TRP_25:HZ3    1:ASN_26:HB1    1.8     4.0
1:TRP_25:HZ3    1:ASN_26:HB2    1.8     4.5
!
1:ASN_26:HN 1:CYS_27:HN 1.8 2.5
1:ASN_26:HA 1:CYS_27:HN 1.8     4.0 
1:ASN_26:HB1 1:CYS_27:HN 1.8 4.0 
1:ASN_26:HB2 1:CYS_27:HN 1.8 3.5 
!
1:CYS_27:HN 1:GLY_28:HN 1.8 2.5 
1:CYS_27:HA 1:GLY_28:HN 1.8     3.5
1:CYS_27:HB1 1:GLY_28:HN 1.8 4.5 
1:CYS_27:HB2 1:GLY_28:HN 1.8 4.5 
!
1:GLY_28:HN 1:SER_29:HN 1.8 3.0 
1:GLY_28:HA1 1:SER_29:HN 1.8     3.5
1:GLY_28:HA2 1:SER_29:HN 1.8     3.5
!
1:SER_29:HN 1:LYS_30:HN 1.8 4.5 
1:SER_29:HA 1:LYS_30:HN 1.8     2.5
1:SER_29:HB1 1:LYS_30:HN 1.8 4.0 
1:SER_29:HB2 1:LYS_30:HN 1.8 4.0 
!
1:LYS_30:HN 1:GLUN_31:HN 1.8 2.5 
1:LYS_30:HA     1:GLUN_31:HN    1.8     3.5
1:LYS_30:HB1 1:GLUN_31:HN 1.8 4.0 
1:LYS_30:HB2 1:GLUN_31:HN 1.8 4.0 
!
1:GLUN_31:HN 1:HISD_32:HN 1.8 2.5 
1:GLUN_31:HA 1:HISD_32:HN 1.8     3.5
1:GLUN_31:HB1 1:HISD_32:HN 1.8 3.5 
1:GLUN_31:HB2 1:HISD_32:HN 1.8 3.5 
!
1:HISD_32:HN 1:ARG_33:HN 1.8 4.5 
1:HISD_32:HA    1:ARG_33:HN     1.8     2.5
1:HISD_32:HB1 1:ARG_33:HN 1.8 3.5 
1:HISD_32:HB2 1:ARG_33:HN 1.8 3.0 
1:HISD_32:HD2   1:ARG_33:HA     1.8     4.0
1:HISD_32:HD2   1:ARG_33:HN     1.8     3.5
!
1:ARG_33:HN 1:PHE_34:HN 1.8 4.5 
1:ARG_33:HA 1:PHE_34:HN 1.8     2.5
1:ARG_33:HB1 1:PHE_34:HN 1.8 3.0 
1:ARG_33:HB2 1:PHE_34:HN 1.8 3.5
1:ARG_33:HG2 1:PHE_34:HN 1.8     5.0 
!
1:PHE_34:HN 1:ALA_35:HN 1.8 3.0 
1:PHE_34:HA     1:ALA_35:HN     1.8     4.0
1:PHE_34:HB1 1:ALA_35:HN 1.8 4.0 
1:PHE_34:HB2 1:ALA_35:HN 1.8 4.5 
1:PHE_34:HD*    1:ALA_35:HA     1.8     5.5
1:PHE_34:HD*    1:ALA_35:HB*    1.8     6.5
!
1:ALA_35:HN 1:GLN_36:HN 1.8 3.0 
1:ALA_35:HA 1:GLN_36:HN 1.8     3.5
1:ALA_35:HB* 1:GLN_36:HN 1.8 4.0 
!
1:GLN_36:HN 1:CYS_37:HN 1.8 3.5
1:GLN_36:HA 1:CYS_37:HN 1.8     3.5 
1:GLN_36:HB1 1:CYS_37:HN 1.8 4.0 
1:GLN_36:HB2 1:CYS_37:HN 1.8 4.0 
!
1:CYS_37:HA     1:PRO_38:HD1    1.8     2.5
1:CYS_37:HA     1:PRO_38:HD2    1.8     2.5
!
1:PRO_38:HA 1:LYSC_39:HN 1.8     3.5
1:PRO_38:HB1 1:LYSC_39:HN 1.8 4.0 
1:PRO_38:HB2 1:LYSC_39:HN 1.8 4.0 
!
!  medium and long-range NOEs
!
1:LEUN_1:HD* 1:GLY_10:HN 1.8 5.9 
1:LEUN_1:HG 1:GLY_10:HN 1.8 3.5 
1:LEUN_1:HG 1:HISD_11:HN 1.8 3.5 
1:LEUN_1:HD* 1:HISD_11:HA 1.8 6.9 
1:LEUN_1:HD* 1:HISD_11:HN 1.8 5.9 
1:LEUN_1:HD* 1:THR_12:HN 1.8 5.9 
!
1:THR_2:HG2* 1:PHE_4:HE* 1.8 6.0 
1:THR_2:HG2* 1:PHE_4:HD* 1.8 6.0 
1:THR_2:HA      1:PRO_9:HA      1.8     2.5
1:THR_2:HA      1:GLY_10:HN     1.8     3.5
1:THR_2:HA      1:HISD_11:HN    1.8     3.5
1:THR_2:HG2* 1:TRP_25:HZ3 1.8 4.5 
1:THR_2:HG2* 1:TRP_25:HH2 1.8 4.5 
1:THR_2:HG2* 1:TRP_25:HZ2 1.8 5.0 
1:THR_2:HG2* 1:PHE_34:HE* 1.8 6.5 
1:THR_2:HG2* 1:PHE_34:HZ 1.8 6.0 
!
1:CYS_3:HA      1:ASN_5:HN      1.8     4.0
1:CYS_3:HB2 1:CYS_6:HN 1.8 4.0 
1:CYS_3:HB1 1:CYS_6:HN 1.8 4.5 
1:CYS_3:HA 1:GLY_7:HN 1.8 5.0 
1:CYS_3:HB1 1:GLY_7:HN 1.8 4.5 
1:CYS_3:HB2 1:GLY_7:HN 1.8 3.0 
1:CYS_3:HN 1:LYS_8:HN 1.8 4.5 
1:CYS_3:HB1 1:LYS_8:HN 1.8 3.5 
1:CYS_3:HB2 1:LYS_8:HN 1.8 3.0 
1:CYS_3:HB1 1:LYS_8:HB1 1.8 5.0 
1:CYS_3:HB2 1:LYS_8:HB1 1.8 5.0 
1:CYS_3:HB1 1:LYS_8:HB2 1.8 5.0 
1:CYS_3:HB2 1:LYS_8:HB2 1.8 5.0 
1:CYS_3:HN      1:PRO_9:HA      1.8     3.0
1:CYS_3:HN      1:HISD_11:HN    1.8     4.0
1:CYS_3:HA      1:HISD_11:HN    1.8     5.0
1:CYS_3:HB1 1:HISD_11:HD2 1.8 3.0 
1:CYS_3:HB2 1:HISD_11:HD2 1.8 4.5 
1:CYS_3:HA 1:HISD_11:HD2 1.8 5.0 
1:CYS_3:HN      1:THR_12:HA     1.8     4.0
1:CYS_3:HA 1:THR_12:HA 1.8 3.0 
1:CYS_3:HA 1:THR_12:HN 1.8 5.0 
1:CYS_3:HA 1:ALA_13:HN 1.8 3.0 
1:CYS_3:HA 1:PHE_4:HD* 1.8 6.5 
!
1:PHE_4:HA      1:GLY_7:HN      1.8     4.5
1:PHE_4:HD*     1:ALA_13:HB*    1.8     6.5
1:PHE_4:HN      1:ALA_13:HB*    1.8     4.0
1:PHE_4:HN 1:ALA_13:HN 1.8 3.0 
1:PHE_4:HD* 1:TRP_25:HZ2 1.8 5.5 
1:PHE_4:HE* 1:TRP_25:HZ2 1.8 6.0 
1:PHE_4:HA 1:TRP_25:HZ2 1.8 3.0 
1:PHE_4:HE* 1:TRP_25:HH2 1.8 6.0 
1:PHE_4:HD* 1:PHE_34:HD* 1.8 7.5 
1:PHE_4:HE* 1:PHE_34:HD* 1.8 8.0 
!
1:ASN_5:HN      1:GLY_7:HN      1.8     3.5
1:ASN_5:HA      1:GLY_7:HN      1.8     5.0
1:ASN_5:HN      1:ALA_13:HB*    1.8     4.5
1:ASN_5:HD22 1:CYS_16:HB1 1.8 4.5 
1:ASN_5:HD22 1:CYS_16:HB2 1.8 4.0 
1:ASN_5:HD22 1:GLN_18:HB1 1.8 5.0 
1:ASN_5:HD22 1:GLN_18:HB2 1.8 3.5 
1:ASN_5:HD21 1:GLN_18:HB2 1.8 3.5 
1:ASN_5:HD21 1:GLN_18:HB1 1.8 5.0 
1:ASN_5:HD22 1:GLN_18:HG* 1.8 5.5 
1:ASN_5:HD21 1:GLN_18:HG* 1.8 5.5 
1:ASN_5:HD21    1:ARG_20:HA     1.8     3.0
1:ASN_5:HD22    1:ARG_20:HA     1.8     4.0
!
1:CYS_6:HN      1:LYS_8:HN      1.8     4.0
1:CYS_6:HA      1:LYS_8:HN      1.8     5.0
1:CYS_6:HB1     1:LYS_8:HN      1.8     5.0
1:CYS_6:HB2     1:LYS_8:HN      1.8     5.0
1:CYS_6:HB1 1:GLN_18:HB1 1.8 4.5 
1:CYS_6:HB1 1:GLN_18:HB2 1.8 3.5 
1:CYS_6:HB2 1:GLN_18:HB1 1.8 4.5 
1:CYS_6:HB2 1:GLN_18:HB2 1.8 4.0 
!
1:GLY_7:HA1 1:TRP_25:HZ3 1.8 5.0 
1:GLY_7:HA2 1:TRP_25:HZ3 1.8 5.0 
!
1:LYS_8:HB1 1:HISD_11:HE1 1.8 3.0 
1:LYS_8:HB2 1:HISD_11:HE1 1.8 3.0 
!
1:PRO_9:HA      1:HISD_11:HN    1.8     3.5
!
1:HISD_11:HD2   1:ALA_13:HA     1.8     4.0
1:HISD_11:HD2   1:MET_15:HB1    1.8     4.5
1:HISD_11:HD2   1:MET_15:HB2    1.8     4.5
1:HISD_11:HD2 1:MET_15:HN 1.8 4.5 
1:HISD_11:HD2 1:CYS_16:HN 1.8 3.5 
1:HISD_11:HD2 1:CYS_16:HA 1.8 3.5 
1:HISD_11:HD2 1:CYS_16:HB1 1.8 3.0 
1:HISD_11:HD2 1:CYS_16:HB2 1.8 4.0 
!
1:THR_12:HA     1:ARG_14:HN     1.8     4.0
1:THR_12:HB     1:ARG_14:HN     1.8     4.0
1:THR_12:HG2* 1:ARG_14:HN 1.8 4.5 
!
1:ALA_13:HN     1:MET_15:HN     1.8     4.5
1:ALA_13:HA     1:MET_15:HN     1.8     4.0
1:ALA_13:HA 1:CYS_16:HB1 1.8 3.0 
1:ALA_13:HA 1:CYS_16:HB2 1.8 3.0 
1:ALA_13:HN 1:CYS_16:HN 1.8 5.0 
1:ALA_13:HA 1:CYS_16:HN 1.8 3.0 
!
1:ARG_14:HN 1:CYS_16:HN 1.8 4.0 
1:ARG_14:HA 1:CYS_16:HN 1.8     4.5 
!
1:CYS_16:HA 1:GLN_18:HN 1.8     4.0
1:CYS_16:HB1 1:GLN_18:HN 1.8     5.0
1:CYS_16:HB2 1:GLN_18:HN  1.8     4.5
!
1:GLN_21:HG* 1:TRP_25:HD1 1.8 4.5 
1:GLN_21:HB1 1:TRP_25:HD1 1.8 4.5 
1:GLN_21:HB2 1:TRP_25:HD1 1.8 4.5 
1:GLN_21:HA 1:GLUN_22:HN 1.8 2.5 
!
1:GLY_23:HA*    1:LYS_30:HA     1.8     3.5
1:GLY_23:HA*    1:GLUN_31:HN    1.8     6.0
1:GLY_23:HA* 1:HISD_32:HN 1.8 5.0 
!
1:CYS_24:HA     1:ASN_26:HN     1.8     4.0
1:CYS_24:HA     1:CYS_27:HN     1.8     5.0
1:CYS_24:HB1 1:CYS_27:HN 1.8     4.5
1:CYS_24:HB2 1:CYS_27:HN 1.8     3.5
1:CYS_24:HB1    1:GLY_28:HN     1.8     4.5
1:CYS_24:HB2    1:GLY_28:HN     1.8     3.0
1:CYS_24:HN 1:SER_29:HN 1.8 4.0 
1:CYS_24:HB1 1:SER_29:HN 1.8     3.5
1:CYS_24:HB2 1:SER_29:HN 1.8     3.0
1:CYS_24:HB1 1:SER_29:HB1 1.8 4.5 
1:CYS_24:HB2 1:SER_29:HB1 1.8 4.0 
1:CYS_24:HB1 1:SER_29:HB2 1.8 3.5 
1:CYS_24:HB2 1:SER_29:HB2 1.8 3.5 
1:CYS_24:HN     1:LYS_30:HA     1.8     3.5
1:CYS_24:HN     1:HISD_32:HN    1.8     4.5
1:CYS_24:HB1    1:HISD_32:HD2   1.8     3.0
1:CYS_24:HB2    1:HISD_32:HD2   1.8     4.5
1:CYS_24:HA 1:ARG_33:HA 1.8 3.0 
1:CYS_24:HA 1:PHE_34:HA 1.8 4.0 
1:CYS_24:HA 1:PHE_34:HN 1.8 3.0 
!
1:TRP_25:HN     1:CYS_27:HN     1.8     4.5
1:TRP_25:HA     1:CYS_27:HN     1.8     5.0
1:TRP_25:HA 1:GLY_28:HN 1.8     4.0
1:TRP_25:HN 1:PHE_34:HN 1.8 3.5 
1:TRP_25:HD1 1:PHE_34:HN 1.8 5.0 
1:TRP_25:HE1 1:PHE_34:HD* 1.8 5.5 
1:TRP_25:HD1 1:PHE_34:HB1 1.8 4.0 
1:TRP_25:HD1 1:PHE_34:HB2 1.8 4.0 
1:TRP_25:HE1 1:PHE_34:HB1 1.8 3.5 
1:TRP_25:HE1 1:PHE_34:HB2 1.8 3.5 
1:TRP_25:HZ2 1:PHE_34:HZ 1.8 4.5 
1:TRP_25:HZ2 1:PHE_34:HE* 1.8 6.0 
1:TRP_25:HZ2 1:PHE_34:HB1 1.8 5.0 
1:TRP_25:HZ2 1:PHE_34:HB2 1.8 5.0 
1:TRP_25:HN 1:PHE_34:HB1 1.8 3.5 
1:TRP_25:HN 1:PHE_34:HB2 1.8 4.0 
!
1:ASN_26:HN 1:GLY_28:HN 1.8 3.5 
1:ASN_26:HA     1:GLY_28:HN     1.8     5.0
1:ASN_26:HN 1:PHE_34:HD* 1.8 5.5 
1:ASN_26:HN 1:PHE_34:HB1 1.8 4.0 
1:ASN_26:HN 1:PHE_34:HB2 1.8 4.0 
1:ASN_26:HB1 1:PHE_34:HB1 1.8 5.0 
1:ASN_26:HB1 1:PHE_34:HB2 1.8 5.0 
1:ASN_26:HB2 1:PHE_34:HB2 1.8 5.0 
1:ASN_26:HB2 1:PHE_34:HB1 1.8 5.0 
1:ASN_26:HB1 1:PHE_34:HD* 1.8 6.5 
1:ASN_26:HB2 1:PHE_34:HD* 1.8 6.5 
1:ASN_26:HB2 1:PHE_34:HE* 1.8 6.0 
1:ASN_26:HB1 1:PHE_34:HE* 1.8 5.5 
1:ASN_26:HD22   1:CYS_37:HB1    1.8     4.0
1:ASN_26:HD22   1:CYS_37:HB2    1.8     3.5
1:ASN_26:HD21 1:LYSC_39:HB1 1.8 4.0 
1:ASN_26:HD21 1:LYSC_39:HB2 1.8 3.5 
1:ASN_26:HD22 1:LYSC_39:HB1 1.8 4.0 
1:ASN_26:HD22 1:LYSC_39:HB2 1.8 3.5 
!
1:CYS_27:HA 1:SER_29:HN 1.8     5.0
1:CYS_27:HB1 1:SER_29:HN 1.8 5.0 
1:CYS_27:HB2 1:SER_29:HN 1.8 5.0 
1:CYS_27:HB1 1:LYSC_39:HB1 1.8 4.5 
1:CYS_27:HB2 1:LYSC_39:HB1 1.8 4.5 
1:CYS_27:HB1 1:LYSC_39:HB2 1.8 4.0 
1:CYS_27:HB2 1:LYSC_39:HB2 1.8 4.0 
!
1:SER_29:HA 1:GLUN_31:HN  1.8     4.0
1:SER_29:HB2 1:HISD_32:HE1 1.8 3.0 
1:SER_29:HA 1:HISD_32:HE1 1.8 5.0 
1:SER_29:HB1 1:HISD_32:HE1 1.8 3.0 
!
1:LYS_30:HN     1:HISD_32:HN    1.8     4.5
1:LYS_30:HA 1:HISD_32:HN 1.8     4.5
!
1:HISD_32:HD2   1:PHE_34:HA     1.8     4.0
1:HISD_32:HD2   1:GLN_36:HN     1.8     4.5
1:HISD_32:HD2   1:GLN_36:HB1    1.8     4.0
1:HISD_32:HD2   1:GLN_36:HB2    1.8     4.0
1:HISD_32:HD2 1:CYS_37:HA 1.8 3.5 
1:HISD_32:HD2 1:CYS_37:HB1 1.8 3.5 
1:HISD_32:HD2 1:CYS_37:HB2 1.8 4.0 
1:HISD_32:HD2 1:CYS_37:HN 1.8 3.5 
!
1:ARG_33:HA     1:ALA_35:HN     1.8     4.5
1:ARG_33:HB1 1:ALA_35:HN 1.8     4.0
1:ARG_33:HB2 1:ALA_35:HN 1.8     3.5
1:ARG_33:HN 1:GLN_36:HN 1.8 4.0 
!
1:PHE_34:HN     1:GLN_36:HN     1.8     4.5
1:PHE_34:HA     1:GLN_36:HN     1.8     4.5
1:PHE_34:HN     1:CYS_37:HN     1.8     5.0
1:PHE_34:HA 1:CYS_37:HN 1.8     3.5
1:PHE_34:HA 1:CYS_37:HB1 1.8 3.0 
1:PHE_34:HA 1:CYS_37:HB2 1.8 3.0 
!
1:ALA_35:HN     1:CYS_37:HN     1.8     4.5
1:ALA_35:HA 1:CYS_37:HN 1.8 4.5 
!
1:CYS_37:HA 1:LYSC_39:HN 1.8     4.0
1:CYS_37:HB1 1:LYSC_39:HN 1.8     4.5
1:CYS_37:HB2 1:LYSC_39:HN 1.8     4.5
!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LEU   1          1H        LEU   1  -8.961   1.560   8.734
    2   2H    LEU   1          2H        LEU   1  -7.483   1.770   7.960
    3   3H    LEU   1          3H        LEU   1  -8.669   2.957   7.845
    4    HA   LEU   1           HA       LEU   1  -8.806   0.226   6.783
    5   1HB   LEU   1          1HB       LEU   1 -10.997   1.005   7.526
    6   2HB   LEU   1          2HB       LEU   1 -10.797   2.520   6.641
    7    HG   LEU   1           HG       LEU   1 -10.805   1.264   4.485
    8   1HD1  LEU   1          1HD1      LEU   1 -11.327  -1.154   6.274
    9   2HD1  LEU   1          2HD1      LEU   1 -11.567  -1.119   4.516
   10   3HD1  LEU   1          3HD1      LEU   1  -9.942  -0.915   5.183
   11   1HD2  LEU   1          1HD2      LEU   1 -12.889   2.191   5.409
   12   2HD2  LEU   1          2HD2      LEU   1 -13.191   0.688   4.519
   13   3HD2  LEU   1          3HD2      LEU   1 -13.179   0.678   6.296
   14    H    THR   2           H        THR   2  -7.087   0.244   5.336
   15    HA   THR   2           HA       THR   2  -7.462   1.922   3.027
   16    HB   THR   2           HB       THR   2  -6.042   3.399   4.432
   17    HG1  THR   2           HG1      THR   2  -4.438   3.666   2.827
   18   1HG2  THR   2          1HG2      THR   2  -3.925   1.206   4.218
   19   2HG2  THR   2          2HG2      THR   2  -3.731   2.811   4.942
   20   3HG2  THR   2          3HG2      THR   2  -4.806   1.626   5.704
   21    H    CYS   3           H        CYS   3  -6.635   1.158   1.190
   22    HA   CYS   3           HA       CYS   3  -6.341  -1.633   1.037
   23   1HB   CYS   3          1HB       CYS   3  -7.385  -0.194  -0.641
   24   2HB   CYS   3          2HB       CYS   3  -5.832   0.488  -1.067
   25    H    PHE   4           H        PHE   4  -4.581  -2.861   1.315
   26    HA   PHE   4           HA       PHE   4  -1.896  -1.723   1.459
   27   1HB   PHE   4          1HB       PHE   4  -2.873  -4.564   1.870
   28   2HB   PHE   4          2HB       PHE   4  -1.373  -3.859   2.447
   29    HD1  PHE   4           HD1      PHE   4  -1.991  -1.434   3.824
   30    HD2  PHE   4           HD2      PHE   4  -4.373  -5.026   3.612
   31    HE1  PHE   4           HE1      PHE   4  -3.105  -0.822   5.942
   32    HE2  PHE   4           HE2      PHE   4  -5.482  -4.404   5.736
   33    HZ   PHE   4           HZ       PHE   4  -4.860  -2.299   6.901
   34    H    ASN   5           H        ASN   5  -3.195  -1.811  -1.172
   35    HA   ASN   5           HA       ASN   5  -1.248  -3.484  -2.664
   36   1HB   ASN   5          1HB       ASN   5  -3.157  -4.882  -2.547
   37   2HB   ASN   5          2HB       ASN   5  -4.275  -3.569  -2.890
   38   1HD2  ASN   5          2HD2      ASN   5  -4.540  -2.806  -5.063
   39   2HD2  ASN   5          1HD2      ASN   5  -3.961  -3.748  -6.413
   40    H    CYS   6           H        CYS   6  -4.075  -1.378  -3.476
   41    HA   CYS   6           HA       CYS   6  -2.481   0.031  -5.444
   42   1HB   CYS   6          1HB       CYS   6  -4.472   0.800  -6.271
   43   2HB   CYS   6          2HB       CYS   6  -4.840  -0.831  -5.789
   44    H    GLY   7           H        GLY   7  -3.479   0.507  -2.120
   45   1HA   GLY   7          1HA       GLY   7  -2.668   2.070  -0.664
   46   2HA   GLY   7          2HA       GLY   7  -1.955   2.972  -2.007
   47    H    LYS   8           H        LYS   8  -5.373   2.220  -2.226
   48    HA   LYS   8           HA       LYS   8  -6.011   5.071  -1.806
   49   1HB   LYS   8          1HB       LYS   8  -7.428   2.752  -3.114
   50   2HB   LYS   8          2HB       LYS   8  -8.216   4.284  -2.762
   51   1HG   LYS   8          1HG       LYS   8  -6.529   5.486  -4.145
   52   2HG   LYS   8          2HG       LYS   8  -5.687   3.967  -4.445
   53   1HD   LYS   8          1HD       LYS   8  -7.028   4.557  -6.382
   54   2HD   LYS   8          2HD       LYS   8  -7.616   3.060  -5.658
   55   1HE   LYS   8          1HE       LYS   8  -9.460   4.510  -6.380
   56   2HE   LYS   8          2HE       LYS   8  -9.516   4.242  -4.637
   57   1HZ   LYS   8          1HZ       LYS   8  -8.436   6.630  -5.973
   58   2HZ   LYS   8          2HZ       LYS   8  -9.899   6.523  -5.224
   59   3HZ   LYS   8          3HZ       LYS   8  -8.514   6.396  -4.343
   60    HA   PRO   9           HA       PRO   9  -7.827   3.786   2.099
   61   1HB   PRO   9          1HB       PRO   9  -9.104   6.067   2.857
   62   2HB   PRO   9          2HB       PRO   9  -7.326   5.941   2.788
   63   1HG   PRO   9          1HG       PRO   9  -9.188   7.051   0.661
   64   2HG   PRO   9          2HG       PRO   9  -7.738   7.840   1.351
   65   1HD   PRO   9          1HD       PRO   9  -7.665   6.441  -0.994
   66   2HD   PRO   9          2HD       PRO   9  -6.287   6.406   0.150
   67    H    GLY  10           H        GLY  10 -10.031   3.709   3.124
   68   1HA   GLY  10          1HA       GLY  10 -12.348   3.673   3.110
   69   2HA   GLY  10          2HA       GLY  10 -12.383   4.087   1.393
   70    H    HIS  11           H        HIS  11 -10.172   1.546   1.780
   71    HA   HIS  11           HA       HIS  11 -12.006  -0.651   2.088
   72   1HB   HIS  11          1HB       HIS  11 -11.734  -1.657  -0.111
   73   2HB   HIS  11          2HB       HIS  11 -12.556  -0.216  -0.232
   74    HD1  HIS  11           HD1      HIS  11 -11.083   1.892  -1.430
   75    HD2  HIS  11           HD2      HIS  11  -9.649  -1.964  -1.540
   76    HE1  HIS  11           HE1      HIS  11  -9.404   1.756  -3.315
   77    H    THR  12           H        THR  12 -10.688  -2.547   1.036
   78    HA   THR  12           HA       THR  12  -7.934  -2.559   2.235
   79    HB   THR  12           HB       THR  12  -9.950  -4.817   2.597
   80    HG1  THR  12           HG1      THR  12 -10.662  -2.973   3.696
   81   1HG2  THR  12          1HG2      THR  12  -8.408  -5.457   4.451
   82   2HG2  THR  12          2HG2      THR  12  -7.581  -5.512   2.891
   83   3HG2  THR  12          3HG2      THR  12  -7.316  -4.139   3.986
   84    H    ALA  13           H        ALA  13  -6.487  -4.131   1.350
   85    HA   ALA  13           HA       ALA  13  -6.625  -4.515  -1.435
   86   1HB   ALA  13          1HB       ALA  13  -5.028  -6.019   0.689
   87   2HB   ALA  13          2HB       ALA  13  -4.705  -6.077  -1.057
   88   3HB   ALA  13          3HB       ALA  13  -4.513  -4.550  -0.172
   89    H    ARG  14           H        ARG  14  -7.874  -6.468   1.147
   90    HA   ARG  14           HA       ARG  14  -8.294  -8.940  -0.103
   91   1HB   ARG  14          1HB       ARG  14  -8.701  -8.267   2.296
   92   2HB   ARG  14          2HB       ARG  14 -10.120  -7.385   1.802
   93   1HG   ARG  14          1HG       ARG  14 -10.760  -9.532   2.735
   94   2HG   ARG  14          2HG       ARG  14 -11.219  -9.461   1.029
   95   1HD   ARG  14          1HD       ARG  14  -9.309 -10.861   0.411
   96   2HD   ARG  14          2HD       ARG  14  -8.692 -10.805   2.081
   97    HE   ARG  14           HE       ARG  14 -11.331 -11.812   2.147
   98   1HH1  ARG  14          1HH2      ARG  14  -8.145 -12.786   0.922
   99   2HH1  ARG  14          2HH2      ARG  14  -8.471 -14.494   1.064
  100   1HH2  ARG  14          1HH1      ARG  14 -11.747 -14.058   2.329
  101   2HH2  ARG  14          2HH1      ARG  14 -10.530 -15.219   1.868
  102    H    MET  15           H        MET  15 -10.176  -5.978  -0.077
  103    HA   MET  15           HA       MET  15 -12.370  -6.981  -1.718
  104   1HB   MET  15          1HB       MET  15 -11.685  -4.182  -0.707
  105   2HB   MET  15          2HB       MET  15 -13.228  -4.702  -1.371
  106   1HG   MET  15          1HG       MET  15 -11.962  -5.781   1.189
  107   2HG   MET  15          2HG       MET  15 -13.211  -4.561   1.093
  108   1HE   MET  15          1HE       MET  15 -14.578  -5.973   2.873
  109   2HE   MET  15          2HE       MET  15 -15.018  -7.681   2.649
  110   3HE   MET  15          3HE       MET  15 -13.314  -7.226   2.872
  111    H    CYS  16           H        CYS  16  -9.435  -5.086  -2.154
  112    HA   CYS  16           HA       CYS  16 -10.169  -3.718  -4.500
  113   1HB   CYS  16          1HB       CYS  16  -8.322  -3.230  -2.874
  114   2HB   CYS  16          2HB       CYS  16  -7.352  -4.466  -3.670
  115    H    ARG  17           H        ARG  17 -10.329  -4.306  -6.522
  116    HA   ARG  17           HA       ARG  17  -9.493  -6.926  -7.488
  117   1HB   ARG  17          1HB       ARG  17 -11.689  -5.886  -8.069
  118   2HB   ARG  17          2HB       ARG  17 -10.833  -4.563  -8.858
  119   1HG   ARG  17          1HG       ARG  17 -11.624  -5.975 -10.553
  120   2HG   ARG  17          2HG       ARG  17  -9.883  -6.209 -10.519
  121   1HD   ARG  17          1HD       ARG  17 -11.953  -8.048  -9.208
  122   2HD   ARG  17          2HD       ARG  17 -11.298  -8.308 -10.822
  123    HE   ARG  17           HE       ARG  17 -10.059  -8.926  -8.286
  124   1HH1  ARG  17          1HH1      ARG  17  -9.306  -8.107 -11.661
  125   2HH1  ARG  17          2HH1      ARG  17  -7.718  -8.827 -11.606
  126   1HH2  ARG  17          1HH2      ARG  17  -7.972  -9.833  -8.225
  127   2HH2  ARG  17          2HH2      ARG  17  -6.957  -9.811  -9.644
  128    H    GLN  18           H        GLN  18  -8.425  -3.587  -7.604
  129    HA   GLN  18           HA       GLN  18  -6.916  -3.497  -9.932
  130   1HB   GLN  18          1HB       GLN  18  -6.146  -2.091  -7.421
  131   2HB   GLN  18          2HB       GLN  18  -5.883  -1.549  -9.029
  132   1HG   GLN  18          1HG       GLN  18  -8.141  -1.125  -9.515
  133   2HG   GLN  18          2HG       GLN  18  -8.689  -1.765  -7.957
  134   1HE2  GLN  18          2HE2      GLN  18  -6.451   0.746  -9.273
  135   2HE2  GLN  18          1HE2      GLN  18  -6.757   1.903  -7.998
  136    HA   PRO  19           HA       PRO  19  -3.169  -5.731  -8.752
  137   1HB   PRO  19          1HB       PRO  19  -1.421  -4.798 -10.603
  138   2HB   PRO  19          2HB       PRO  19  -2.871  -5.729 -11.078
  139   1HG   PRO  19          1HG       PRO  19  -2.488  -2.737 -11.134
  140   2HG   PRO  19          2HG       PRO  19  -3.231  -3.777 -12.382
  141   1HD   PRO  19          1HD       PRO  19  -4.625  -2.344 -10.429
  142   2HD   PRO  19          2HD       PRO  19  -5.319  -3.741 -11.189
  143    H    ARG  20           H        ARG  20  -0.921  -5.285  -7.896
  144    HA   ARG  20           HA       ARG  20  -1.002  -3.275  -6.005
  145   1HB   ARG  20          1HB       ARG  20   0.679  -5.541  -6.692
  146   2HB   ARG  20          2HB       ARG  20   1.736  -4.148  -6.563
  147   1HG   ARG  20          1HG       ARG  20   0.258  -3.746  -4.338
  148   2HG   ARG  20          2HG       ARG  20   0.022  -5.488  -4.502
  149   1HD   ARG  20          1HD       ARG  20   1.947  -5.103  -3.056
  150   2HD   ARG  20          2HD       ARG  20   2.547  -5.716  -4.599
  151    HE   ARG  20           HE       ARG  20   3.545  -3.688  -5.062
  152   1HH1  ARG  20          1HH1      ARG  20   1.368  -3.210  -2.283
  153   2HH1  ARG  20          2HH1      ARG  20   1.890  -1.566  -2.022
  154   1HH2  ARG  20          1HH2      ARG  20   4.126  -1.550  -4.759
  155   2HH2  ARG  20          2HH2      ARG  20   3.527  -0.620  -3.410
  156    H    GLN  21           H        GLN  21   0.583  -1.657  -5.575
  157    HA   GLN  21           HA       GLN  21   1.042   0.141  -7.832
  158   1HB   GLN  21          1HB       GLN  21   0.307   0.591  -5.309
  159   2HB   GLN  21          2HB       GLN  21   2.039   0.686  -5.023
  160   1HG   GLN  21          1HG       GLN  21   0.450   2.301  -7.089
  161   2HG   GLN  21          2HG       GLN  21   0.770   2.851  -5.448
  162   1HE2  GLN  21          2HE2      GLN  21   1.733   3.473  -8.459
  163   2HE2  GLN  21          1HE2      GLN  21   3.425   3.829  -8.220
  164    H    GLU  22           H        GLU  22   3.294   1.131  -7.994
  165    HA   GLU  22           HA       GLU  22   5.272  -0.636  -8.726
  166   1HB   GLU  22          1HB       GLU  22   5.085   2.318  -7.945
  167   2HB   GLU  22          2HB       GLU  22   6.492   1.560  -8.599
  168   1HG   GLU  22          1HG       GLU  22   5.350   1.022 -10.691
  169   2HG   GLU  22          2HG       GLU  22   3.830   1.664 -10.042
  170    H    GLY  23           H        GLY  23   5.068   1.571  -5.948
  171   1HA   GLY  23          1HA       GLY  23   6.759  -0.185  -4.254
  172   2HA   GLY  23          2HA       GLY  23   7.335   1.441  -4.657
  173    H    CYS  24           H        CYS  24   7.193   2.316  -2.634
  174    HA   CYS  24           HA       CYS  24   5.076   1.811  -0.792
  175   1HB   CYS  24          1HB       CYS  24   7.486   2.866  -0.439
  176   2HB   CYS  24          2HB       CYS  24   6.920   4.234  -0.487
  177    H    TRP  25           H        TRP  25   3.065   2.294  -1.419
  178    HA   TRP  25           HA       TRP  25   2.420   4.821  -2.720
  179   1HB   TRP  25          1HB       TRP  25   0.081   3.977  -2.351
  180   2HB   TRP  25          2HB       TRP  25   1.125   2.818  -3.110
  181    HD1  TRP  25           HD1      TRP  25   0.979   0.504  -2.290
  182    HE1  TRP  25           HE1      TRP  25   0.123  -0.714  -0.128
  183    HE3  TRP  25           HE3      TRP  25  -0.419   4.535   0.319
  184    HZ2  TRP  25           HZ2      TRP  25  -0.950   0.076   2.430
  185    HZ3  TRP  25           HZ3      TRP  25  -1.129   4.361   2.730
  186    HH2  TRP  25           HH2      TRP  25  -1.482   2.113   3.744
  187    H    ASN  26           H        ASN  26   3.028   3.632   0.411
  188    HA   ASN  26           HA       ASN  26   1.412   5.458   1.962
  189   1HB   ASN  26          1HB       ASN  26   1.744   3.557   3.141
  190   2HB   ASN  26          2HB       ASN  26   3.246   3.166   2.356
  191   1HD2  ASN  26          2HD2      ASN  26   4.837   2.908   3.811
  192   2HD2  ASN  26          1HD2      ASN  26   5.113   3.887   5.201
  193    H    CYS  27           H        CYS  27   4.923   5.161   1.163
  194    HA   CYS  27           HA       CYS  27   5.240   7.916   2.216
  195   1HB   CYS  27          1HB       CYS  27   6.815   7.231   3.499
  196   2HB   CYS  27          2HB       CYS  27   6.353   5.602   3.189
  197    H    GLY  28           H        GLY  28   5.778   5.756  -0.572
  198   1HA   GLY  28          1HA       GLY  28   5.609   7.008  -2.679
  199   2HA   GLY  28          2HA       GLY  28   6.519   8.320  -2.004
  200    H    SER  29           H        SER  29   8.302   5.733  -0.928
  201    HA   SER  29           HA       SER  29  10.361   6.077  -2.865
  202   1HB   SER  29          1HB       SER  29  10.728   5.290  -0.574
  203   2HB   SER  29          2HB       SER  29   9.847   3.798  -0.942
  204    HG   SER  29           HG       SER  29  11.437   3.370  -2.539
  205    H    LYS  30           H        LYS  30  10.874   4.789  -4.604
  206    HA   LYS  30           HA       LYS  30   8.769   3.076  -5.733
  207   1HB   LYS  30          1HB       LYS  30   9.634   4.899  -7.075
  208   2HB   LYS  30          2HB       LYS  30  11.306   4.476  -6.696
  209   1HG   LYS  30          1HG       LYS  30  10.780   3.905  -8.922
  210   2HG   LYS  30          2HG       LYS  30  11.196   2.467  -7.968
  211   1HD   LYS  30          1HD       LYS  30   8.834   1.818  -7.814
  212   2HD   LYS  30          2HD       LYS  30   8.310   3.321  -8.588
  213   1HE   LYS  30          1HE       LYS  30  10.154   1.328  -9.974
  214   2HE   LYS  30          2HE       LYS  30   8.393   1.162 -10.022
  215   1HZ   LYS  30          1HZ       LYS  30   9.818   3.554 -10.931
  216   2HZ   LYS  30          2HZ       LYS  30   9.257   2.348 -11.907
  217   3HZ   LYS  30          3HZ       LYS  30   8.194   3.247 -11.033
  218    H    GLU  31           H        GLU  31  12.057   3.020  -4.466
  219    HA   GLU  31           HA       GLU  31  12.935   0.532  -5.490
  220   1HB   GLU  31          1HB       GLU  31  13.728   1.986  -2.914
  221   2HB   GLU  31          2HB       GLU  31  14.660   0.763  -3.774
  222   1HG   GLU  31          1HG       GLU  31  13.996   3.604  -4.684
  223   2HG   GLU  31          2HG       GLU  31  15.575   2.939  -4.295
  224    H    HIS  32           H        HIS  32  11.451   1.514  -2.463
  225    HA   HIS  32           HA       HIS  32  10.812  -1.342  -1.828
  226   1HB   HIS  32          1HB       HIS  32  10.628  -0.839   0.414
  227   2HB   HIS  32          2HB       HIS  32  12.168  -0.267  -0.135
  228    HD1  HIS  32           HD1      HIS  32  12.653   2.189   0.625
  229    HD2  HIS  32           HD2      HIS  32   8.543   1.401   0.748
  230    HE1  HIS  32           HE1      HIS  32  11.412   4.140   1.651
  231    H    ARG  33           H        ARG  33   8.903  -1.740  -0.711
  232    HA   ARG  33           HA       ARG  33   6.496  -0.430  -1.814
  233   1HB   ARG  33          1HB       ARG  33   7.066  -3.161  -0.649
  234   2HB   ARG  33          2HB       ARG  33   5.496  -2.637  -1.222
  235   1HG   ARG  33          1HG       ARG  33   6.008  -2.752  -3.396
  236   2HG   ARG  33          2HG       ARG  33   7.624  -2.131  -3.228
  237   1HD   ARG  33          1HD       ARG  33   6.832  -4.978  -2.501
  238   2HD   ARG  33          2HD       ARG  33   7.488  -4.505  -4.071
  239    HE   ARG  33           HE       ARG  33   8.952  -4.968  -1.655
  240   1HH1  ARG  33          1HH2      ARG  33   9.019  -2.962  -4.602
  241   2HH1  ARG  33          2HH2      ARG  33  10.715  -2.579  -4.428
  242   1HH2  ARG  33          1HH1      ARG  33  11.210  -4.505  -1.520
  243   2HH2  ARG  33          2HH1      ARG  33  11.953  -3.514  -2.751
  244    H    PHE  34           H        PHE  34   4.530  -0.700  -0.372
  245    HA   PHE  34           HA       PHE  34   4.872   0.836   2.035
  246   1HB   PHE  34          1HB       PHE  34   2.779   1.138   1.235
  247   2HB   PHE  34          2HB       PHE  34   2.634  -0.443   0.573
  248    HD1  PHE  34           HD1      PHE  34   1.470  -2.194   1.770
  249    HD2  PHE  34           HD2      PHE  34   2.653   1.393   3.852
  250    HE1  PHE  34           HE1      PHE  34   0.325  -2.986   3.821
  251    HE2  PHE  34           HE2      PHE  34   1.398   0.653   5.845
  252    HZ   PHE  34           HZ       PHE  34   0.235  -1.544   5.838
  253    H    ALA  35           H        ALA  35   4.307  -2.613   1.474
  254    HA   ALA  35           HA       ALA  35   4.261  -3.457   4.179
  255   1HB   ALA  35          1HB       ALA  35   3.525  -4.854   2.289
  256   2HB   ALA  35          2HB       ALA  35   5.201  -4.967   1.704
  257   3HB   ALA  35          3HB       ALA  35   4.750  -5.695   3.261
  258    H    GLN  36           H        GLN  36   6.955  -2.639   2.074
  259    HA   GLN  36           HA       GLN  36   9.048  -3.832   3.716
  260   1HB   GLN  36          1HB       GLN  36   8.778  -2.158   1.238
  261   2HB   GLN  36          2HB       GLN  36  10.319  -2.135   2.023
  262   1HG   GLN  36          1HG       GLN  36   8.961  -4.810   1.475
  263   2HG   GLN  36          2HG       GLN  36   9.539  -3.877   0.096
  264   1HE2  GLN  36          2HE2      GLN  36  10.992  -4.421   3.377
  265   2HE2  GLN  36          1HE2      GLN  36  12.510  -5.018   2.746
  266    H    CYS  37           H        CYS  37   7.627  -0.643   3.158
  267    HA   CYS  37           HA       CYS  37   9.566   0.985   4.220
  268   1HB   CYS  37          1HB       CYS  37   7.639   1.624   2.957
  269   2HB   CYS  37          2HB       CYS  37   6.601   1.472   4.329
  270    HA   PRO  38           HA       PRO  38   9.225   0.223   8.733
  271   1HB   PRO  38          1HB       PRO  38  10.060   3.139   8.768
  272   2HB   PRO  38          2HB       PRO  38  10.647   1.806   9.803
  273   1HG   PRO  38          1HG       PRO  38  12.123   2.622   7.681
  274   2HG   PRO  38          2HG       PRO  38  11.896   0.873   7.983
  275   1HD   PRO  38          1HD       PRO  38  10.472   2.600   5.947
  276   2HD   PRO  38          2HD       PRO  38  11.108   0.936   5.813
  277    H    LYS  39           H        LYS  39   7.938   3.134   7.186
  278    HA   LYS  39           HA       LYS  39   5.878   3.734   9.162
  279   1HB   LYS  39          1HB       LYS  39   6.549   4.705   6.352
  280   2HB   LYS  39          2HB       LYS  39   5.051   5.150   7.127
  281   1HG   LYS  39          1HG       LYS  39   6.652   6.902   7.452
  282   2HG   LYS  39          2HG       LYS  39   6.207   6.177   9.005
  283   1HD   LYS  39          1HD       LYS  39   8.342   4.980   9.114
  284   2HD   LYS  39          2HD       LYS  39   8.736   5.463   7.450
  285   1HE   LYS  39          1HE       LYS  39   9.984   6.825   9.033
  286   2HE   LYS  39          2HE       LYS  39   8.818   7.840   8.169
  287   1HZ   LYS  39          1HZ       LYS  39   8.458   6.730  10.870
  288   2HZ   LYS  39          2HZ       LYS  39   8.860   8.288  10.515
  289   3HZ   LYS  39          3HZ       LYS  39   7.385   7.700  10.079
  Start of MODEL    2
    1   1H    LEU   1          1H        LEU   1  -8.392   0.817   9.532
    2   2H    LEU   1          2H        LEU   1  -6.967   0.843   8.640
    3   3H    LEU   1          3H        LEU   1  -7.849   2.258   8.856
    4    HA   LEU   1           HA       LEU   1  -8.687  -0.132   7.377
    5   1HB   LEU   1          1HB       LEU   1 -10.555   0.977   8.543
    6   2HB   LEU   1          2HB       LEU   1 -10.122   2.517   7.802
    7    HG   LEU   1           HG       LEU   1 -10.642   1.546   5.542
    8   1HD1  LEU   1          1HD2      LEU   1 -11.509  -0.874   7.185
    9   2HD1  LEU   1          2HD2      LEU   1 -11.972  -0.587   5.497
   10   3HD1  LEU   1          3HD2      LEU   1 -10.271  -0.828   5.907
   11   1HD2  LEU   1          1HD1      LEU   1 -12.325   2.821   6.811
   12   2HD2  LEU   1          2HD1      LEU   1 -13.078   1.539   5.846
   13   3HD2  LEU   1          3HD1      LEU   1 -12.874   1.325   7.598
   14    H    THR   2           H        THR   2  -6.712  -0.022   6.132
   15    HA   THR   2           HA       THR   2  -6.980   1.836   3.932
   16    HB   THR   2           HB       THR   2  -5.564   3.144   5.440
   17    HG1  THR   2           HG1      THR   2  -4.006   2.108   3.323
   18   1HG2  THR   2          1HG2      THR   2  -3.546   0.857   5.267
   19   2HG2  THR   2          2HG2      THR   2  -3.308   2.431   6.047
   20   3HG2  THR   2          3HG2      THR   2  -4.484   1.288   6.714
   21    H    CYS   3           H        CYS   3  -6.305   1.122   2.056
   22    HA   CYS   3           HA       CYS   3  -6.063  -1.669   1.787
   23   1HB   CYS   3          1HB       CYS   3  -7.180  -0.209   0.200
   24   2HB   CYS   3          2HB       CYS   3  -5.660   0.509  -0.283
   25    H    PHE   4           H        PHE   4  -4.161  -2.861   2.172
   26    HA   PHE   4           HA       PHE   4  -1.675  -1.707   2.314
   27   1HB   PHE   4          1HB       PHE   4  -2.592  -4.601   2.148
   28   2HB   PHE   4          2HB       PHE   4  -1.143  -3.958   2.867
   29    HD1  PHE   4           HD1      PHE   4  -4.206  -5.265   3.768
   30    HD2  PHE   4           HD2      PHE   4  -1.693  -1.863   4.622
   31    HE1  PHE   4           HE1      PHE   4  -5.411  -4.889   5.896
   32    HE2  PHE   4           HE2      PHE   4  -2.902  -1.491   6.733
   33    HZ   PHE   4           HZ       PHE   4  -4.773  -3.004   7.382
   34    H    ASN   5           H        ASN   5  -3.309  -2.780  -0.607
   35    HA   ASN   5           HA       ASN   5  -0.725  -3.189  -1.945
   36   1HB   ASN   5          1HB       ASN   5  -1.959  -4.160  -3.680
   37   2HB   ASN   5          2HB       ASN   5  -2.339  -4.947  -2.171
   38   1HD2  ASN   5          2HD2      ASN   5  -3.675  -2.972  -4.948
   39   2HD2  ASN   5          1HD2      ASN   5  -5.275  -3.361  -4.487
   40    H    CYS   6           H        CYS   6  -3.828  -1.347  -2.628
   41    HA   CYS   6           HA       CYS   6  -2.333   0.255  -4.530
   42   1HB   CYS   6          1HB       CYS   6  -4.310   0.851  -5.415
   43   2HB   CYS   6          2HB       CYS   6  -4.621  -0.787  -4.934
   44    H    GLY   7           H        GLY   7  -3.129   0.504  -1.174
   45   1HA   GLY   7          1HA       GLY   7  -2.437   2.112   0.283
   46   2HA   GLY   7          2HA       GLY   7  -1.863   3.082  -1.071
   47    H    LYS   8           H        LYS   8  -5.269   2.288  -1.414
   48    HA   LYS   8           HA       LYS   8  -5.871   5.079  -0.861
   49   1HB   LYS   8          1HB       LYS   8  -6.979   2.757  -2.335
   50   2HB   LYS   8          2HB       LYS   8  -8.154   3.721  -1.573
   51   1HG   LYS   8          1HG       LYS   8  -5.982   4.795  -3.426
   52   2HG   LYS   8          2HG       LYS   8  -7.576   4.300  -3.991
   53   1HD   LYS   8          1HD       LYS   8  -7.026   6.641  -2.098
   54   2HD   LYS   8          2HD       LYS   8  -7.384   6.705  -3.816
   55   1HE   LYS   8          1HE       LYS   8  -9.461   7.158  -3.016
   56   2HE   LYS   8          2HE       LYS   8  -9.595   5.403  -3.180
   57   1HZ   LYS   8          1HZ       LYS   8  -9.000   6.911  -0.718
   58   2HZ   LYS   8          2HZ       LYS   8 -10.437   6.216  -1.100
   59   3HZ   LYS   8          3HZ       LYS   8  -9.134   5.272  -0.789
   60    HA   PRO   9           HA       PRO   9  -7.493   3.693   3.137
   61   1HB   PRO   9          1HB       PRO   9  -8.580   6.030   4.054
   62   2HB   PRO   9          2HB       PRO   9  -6.828   5.704   4.019
   63   1HG   PRO   9          1HG       PRO   9  -8.483   7.213   1.975
   64   2HG   PRO   9          2HG       PRO   9  -6.942   7.731   2.721
   65   1HD   PRO   9          1HD       PRO   9  -7.059   6.558   0.270
   66   2HD   PRO   9          2HD       PRO   9  -5.696   6.219   1.372
   67    H    GLY  10           H        GLY  10  -9.660   3.598   4.151
   68   1HA   GLY  10          1HA       GLY  10 -12.015   3.773   4.097
   69   2HA   GLY  10          2HA       GLY  10 -11.996   4.098   2.363
   70    H    HIS  11           H        HIS  11  -9.837   1.587   2.622
   71    HA   HIS  11           HA       HIS  11 -11.687  -0.588   3.126
   72   1HB   HIS  11          1HB       HIS  11 -11.383  -1.706   0.949
   73   2HB   HIS  11          2HB       HIS  11 -12.292  -0.316   0.816
   74    HD1  HIS  11           HD1      HIS  11 -10.838   1.878  -0.368
   75    HD2  HIS  11           HD2      HIS  11  -9.432  -1.997  -0.674
   76    HE1  HIS  11           HE1      HIS  11  -9.226   1.788  -2.321
   77    H    THR  12           H        THR  12 -10.448  -2.577   2.233
   78    HA   THR  12           HA       THR  12  -7.625  -2.540   3.230
   79    HB   THR  12           HB       THR  12  -8.365  -5.077   3.721
   80    HG1  THR  12           HG1      THR  12 -10.496  -4.707   2.960
   81   1HG2  THR  12          1HG2      THR  12  -8.780  -4.499   6.044
   82   2HG2  THR  12          2HG2      THR  12  -7.448  -3.530   5.378
   83   3HG2  THR  12          3HG2      THR  12  -9.055  -2.797   5.587
   84    H    ALA  13           H        ALA  13  -6.269  -4.164   2.318
   85    HA   ALA  13           HA       ALA  13  -6.567  -4.463  -0.484
   86   1HB   ALA  13          1HB       ALA  13  -4.811  -5.982   1.511
   87   2HB   ALA  13          2HB       ALA  13  -4.609  -6.049  -0.251
   88   3HB   ALA  13          3HB       ALA  13  -4.359  -4.514   0.606
   89    H    ARG  14           H        ARG  14  -7.632  -6.416   2.182
   90    HA   ARG  14           HA       ARG  14  -8.138  -8.894   1.022
   91   1HB   ARG  14          1HB       ARG  14  -8.486  -8.138   3.403
   92   2HB   ARG  14          2HB       ARG  14  -9.896  -7.244   2.910
   93   1HG   ARG  14          1HG       ARG  14 -10.524  -9.376   3.940
   94   2HG   ARG  14          2HG       ARG  14 -11.090  -9.277   2.274
   95   1HD   ARG  14          1HD       ARG  14 -10.164 -11.523   2.854
   96   2HD   ARG  14          2HD       ARG  14  -9.346 -10.766   1.499
   97    HE   ARG  14           HE       ARG  14  -7.392 -10.669   2.677
   98   1HH1  ARG  14          1HH2      ARG  14 -10.010 -11.314   4.993
   99   2HH1  ARG  14          2HH2      ARG  14  -8.921 -11.627   6.320
  100   1HH2  ARG  14          1HH1      ARG  14  -5.986 -11.080   4.425
  101   2HH2  ARG  14          2HH1      ARG  14  -6.625 -11.489   5.995
  102    H    MET  15           H        MET  15 -10.036  -5.939   1.003
  103    HA   MET  15           HA       MET  15 -12.218  -6.997  -0.616
  104   1HB   MET  15          1HB       MET  15 -11.541  -4.227   0.460
  105   2HB   MET  15          2HB       MET  15 -13.054  -4.652  -0.335
  106   1HG   MET  15          1HG       MET  15 -12.043  -6.012   2.202
  107   2HG   MET  15          2HG       MET  15 -13.113  -4.624   2.173
  108   1HE   MET  15          1HE       MET  15 -14.762  -5.963   3.749
  109   2HE   MET  15          2HE       MET  15 -15.405  -7.576   3.365
  110   3HE   MET  15          3HE       MET  15 -13.672  -7.371   3.708
  111    H    CYS  16           H        CYS  16  -9.290  -5.111  -1.163
  112    HA   CYS  16           HA       CYS  16 -10.192  -3.886  -3.591
  113   1HB   CYS  16          1HB       CYS  16  -8.605  -2.884  -2.180
  114   2HB   CYS  16          2HB       CYS  16  -7.470  -4.052  -2.310
  115    H    ARG  17           H        ARG  17 -10.129  -4.612  -5.581
  116    HA   ARG  17           HA       ARG  17  -8.901  -7.176  -6.348
  117   1HB   ARG  17          1HB       ARG  17 -11.219  -6.531  -6.953
  118   2HB   ARG  17          2HB       ARG  17 -10.598  -5.175  -7.904
  119   1HG   ARG  17          1HG       ARG  17  -9.437  -6.701  -9.423
  120   2HG   ARG  17          2HG       ARG  17  -9.864  -8.093  -8.401
  121   1HD   ARG  17          1HD       ARG  17 -12.263  -7.683  -8.855
  122   2HD   ARG  17          2HD       ARG  17 -11.832  -6.280  -9.863
  123    HE   ARG  17           HE       ARG  17 -10.413  -8.533 -10.825
  124   1HH1  ARG  17          1HH1      ARG  17 -13.763  -7.378 -10.622
  125   2HH1  ARG  17          2HH1      ARG  17 -14.284  -8.246 -12.043
  126   1HH2  ARG  17          1HH2      ARG  17 -11.107  -9.669 -12.688
  127   2HH2  ARG  17          2HH2      ARG  17 -12.764  -9.556 -13.224
  128    H    GLN  18           H        GLN  18  -8.332  -3.733  -6.618
  129    HA   GLN  18           HA       GLN  18  -7.001  -3.425  -8.986
  130   1HB   GLN  18          1HB       GLN  18  -6.082  -1.988  -6.547
  131   2HB   GLN  18          2HB       GLN  18  -6.084  -1.446  -8.187
  132   1HG   GLN  18          1HG       GLN  18  -8.432  -1.310  -8.336
  133   2HG   GLN  18          2HG       GLN  18  -8.639  -1.906  -6.676
  134   1HE2  GLN  18          2HE2      GLN  18  -6.834   0.718  -8.399
  135   2HE2  GLN  18          1HE2      GLN  18  -7.130   1.926  -7.168
  136    HA   PRO  19           HA       PRO  19  -2.856  -5.132  -8.519
  137   1HB   PRO  19          1HB       PRO  19  -1.969  -2.493  -9.700
  138   2HB   PRO  19          2HB       PRO  19  -1.534  -4.143 -10.227
  139   1HG   PRO  19          1HG       PRO  19  -3.353  -2.670 -11.621
  140   2HG   PRO  19          2HG       PRO  19  -3.636  -4.412 -11.322
  141   1HD   PRO  19          1HD       PRO  19  -4.888  -2.074  -9.841
  142   2HD   PRO  19          2HD       PRO  19  -5.599  -3.574 -10.376
  143    H    ARG  20           H        ARG  20  -0.691  -4.466  -7.450
  144    HA   ARG  20           HA       ARG  20  -1.240  -2.769  -5.135
  145   1HB   ARG  20          1HB       ARG  20   0.981  -3.665  -4.392
  146   2HB   ARG  20          2HB       ARG  20  -0.159  -4.958  -4.756
  147   1HG   ARG  20          1HG       ARG  20   1.591  -4.105  -7.041
  148   2HG   ARG  20          2HG       ARG  20   2.385  -4.850  -5.674
  149   1HD   ARG  20          1HD       ARG  20   1.046  -6.837  -5.798
  150   2HD   ARG  20          2HD       ARG  20   0.023  -6.188  -7.071
  151    HE   ARG  20           HE       ARG  20   2.609  -7.412  -7.331
  152   1HH1  ARG  20          1HH2      ARG  20   0.582  -4.903  -8.833
  153   2HH1  ARG  20          2HH2      ARG  20   1.312  -5.089 -10.405
  154   1HH2  ARG  20          1HH1      ARG  20   3.564  -7.616  -9.390
  155   2HH2  ARG  20          2HH1      ARG  20   3.021  -6.625 -10.718
  156    H    GLN  21           H        GLN  21   0.745  -1.386  -4.473
  157    HA   GLN  21           HA       GLN  21   1.370   0.504  -6.588
  158   1HB   GLN  21          1HB       GLN  21   0.796   1.215  -4.289
  159   2HB   GLN  21          2HB       GLN  21   2.188   0.332  -3.650
  160   1HG   GLN  21          1HG       GLN  21   2.633   2.765  -3.823
  161   2HG   GLN  21          2HG       GLN  21   3.734   1.831  -4.809
  162   1HE2  GLN  21          2HE2      GLN  21   0.589   3.600  -4.982
  163   2HE2  GLN  21          1HE2      GLN  21   0.824   4.191  -6.614
  164    H    GLU  22           H        GLU  22   3.541   1.047  -7.143
  165    HA   GLU  22           HA       GLU  22   5.263  -1.036  -7.901
  166   1HB   GLU  22          1HB       GLU  22   5.785   1.937  -7.445
  167   2HB   GLU  22          2HB       GLU  22   6.901   0.822  -8.244
  168   1HG   GLU  22          1HG       GLU  22   5.207   0.357  -9.990
  169   2HG   GLU  22          2HG       GLU  22   4.091   1.495  -9.214
  170    H    GLY  23           H        GLY  23   5.638   1.326  -5.283
  171   1HA   GLY  23          1HA       GLY  23   7.224  -0.625  -3.660
  172   2HA   GLY  23          2HA       GLY  23   7.742   1.045  -3.876
  173    H    CYS  24           H        CYS  24   7.329   2.146  -2.081
  174    HA   CYS  24           HA       CYS  24   5.297   1.346  -0.173
  175   1HB   CYS  24          1HB       CYS  24   7.693   2.079   0.305
  176   2HB   CYS  24          2HB       CYS  24   7.184   3.711  -0.025
  177    H    TRP  25           H        TRP  25   3.257   1.941  -0.621
  178    HA   TRP  25           HA       TRP  25   2.501   4.452  -1.875
  179   1HB   TRP  25          1HB       TRP  25   0.236   3.661  -1.305
  180   2HB   TRP  25          2HB       TRP  25   1.124   2.484  -2.185
  181    HD1  TRP  25           HD1      TRP  25   1.286   0.194  -1.223
  182    HE1  TRP  25           HE1      TRP  25   0.483  -1.005   0.964
  183    HE3  TRP  25           HE3      TRP  25  -0.302   4.229   1.270
  184    HZ2  TRP  25           HZ2      TRP  25  -0.603  -0.184   3.517
  185    HZ3  TRP  25           HZ3      TRP  25  -0.870   4.092   3.725
  186    HH2  TRP  25           HH2      TRP  25  -1.222   1.847   4.773
  187    H    ASN  26           H        ASN  26   3.184   3.366   1.385
  188    HA   ASN  26           HA       ASN  26   1.409   5.199   2.754
  189   1HB   ASN  26          1HB       ASN  26   1.934   3.015   3.641
  190   2HB   ASN  26          2HB       ASN  26   3.650   3.355   3.602
  191   1HD2  ASN  26          2HD2      ASN  26   4.260   3.289   5.754
  192   2HD2  ASN  26          1HD2      ASN  26   3.426   4.169   7.007
  193    H    CYS  27           H        CYS  27   4.939   5.075   2.163
  194    HA   CYS  27           HA       CYS  27   5.171   7.844   3.175
  195   1HB   CYS  27          1HB       CYS  27   7.114   7.354   4.010
  196   2HB   CYS  27          2HB       CYS  27   6.448   5.759   4.132
  197    H    GLY  28           H        GLY  28   5.313   5.958   0.224
  198   1HA   GLY  28          1HA       GLY  28   5.216   6.927  -1.884
  199   2HA   GLY  28          2HA       GLY  28   5.725   8.480  -1.234
  200    H    SER  29           H        SER  29   7.453   5.479  -0.616
  201    HA   SER  29           HA       SER  29   9.834   6.374  -2.184
  202   1HB   SER  29          1HB       SER  29  10.099   5.897   0.242
  203   2HB   SER  29          2HB       SER  29   9.542   4.233  -0.056
  204    HG   SER  29           HG       SER  29  11.313   3.984  -1.442
  205    H    LYS  30           H        LYS  30  10.856   4.797  -3.540
  206    HA   LYS  30           HA       LYS  30   9.006   2.772  -4.682
  207   1HB   LYS  30          1HB       LYS  30  11.255   4.424  -5.899
  208   2HB   LYS  30          2HB       LYS  30  10.364   3.130  -6.688
  209   1HG   LYS  30          1HG       LYS  30   8.210   4.515  -5.990
  210   2HG   LYS  30          2HG       LYS  30   9.361   5.832  -5.744
  211   1HD   LYS  30          1HD       LYS  30   8.501   6.114  -7.926
  212   2HD   LYS  30          2HD       LYS  30  10.128   5.449  -8.164
  213   1HE   LYS  30          1HE       LYS  30   9.147   3.196  -8.562
  214   2HE   LYS  30          2HE       LYS  30   7.537   3.815  -8.157
  215   1HZ   LYS  30          1HZ       LYS  30   9.160   4.669 -10.447
  216   2HZ   LYS  30          2HZ       LYS  30   7.864   3.644 -10.481
  217   3HZ   LYS  30          3HZ       LYS  30   7.647   5.217 -10.061
  218    H    GLU  31           H        GLU  31  12.100   3.138  -3.069
  219    HA   GLU  31           HA       GLU  31  13.409   0.898  -4.248
  220   1HB   GLU  31          1HB       GLU  31  15.008   1.207  -2.514
  221   2HB   GLU  31          2HB       GLU  31  14.455   2.802  -3.071
  222   1HG   GLU  31          1HG       GLU  31  12.955   2.874  -1.049
  223   2HG   GLU  31          2HG       GLU  31  13.770   1.403  -0.479
  224    H    HIS  32           H        HIS  32  11.665   1.400  -1.292
  225    HA   HIS  32           HA       HIS  32  11.253  -1.540  -0.847
  226   1HB   HIS  32          1HB       HIS  32  11.090  -1.105   1.492
  227   2HB   HIS  32          2HB       HIS  32  12.562  -0.398   0.907
  228    HD1  HIS  32           HD1      HIS  32  12.659   2.330   1.020
  229    HD2  HIS  32           HD2      HIS  32   9.162   0.635   2.507
  230    HE1  HIS  32           HE1      HIS  32  11.277   4.148   2.066
  231    H    ARG  33           H        ARG  33   9.296  -1.918   0.560
  232    HA   ARG  33           HA       ARG  33   6.902  -0.590  -0.595
  233   1HB   ARG  33          1HB       ARG  33   7.428  -3.396   0.393
  234   2HB   ARG  33          2HB       ARG  33   5.883  -2.823  -0.180
  235   1HG   ARG  33          1HG       ARG  33   6.608  -2.494  -2.398
  236   2HG   ARG  33          2HG       ARG  33   8.321  -2.651  -1.999
  237   1HD   ARG  33          1HD       ARG  33   6.319  -4.917  -1.708
  238   2HD   ARG  33          2HD       ARG  33   7.373  -4.666  -3.119
  239    HE   ARG  33           HE       ARG  33   9.033  -4.587  -0.866
  240   1HH1  ARG  33          1HH1      ARG  33   7.001  -6.991  -2.502
  241   2HH1  ARG  33          2HH1      ARG  33   7.973  -8.345  -1.984
  242   1HH2  ARG  33          1HH2      ARG  33  10.293  -6.338  -0.205
  243   2HH2  ARG  33          2HH2      ARG  33   9.868  -7.971  -0.660
  244    H    PHE  34           H        PHE  34   4.961  -0.821   0.709
  245    HA   PHE  34           HA       PHE  34   5.198   0.591   3.136
  246   1HB   PHE  34          1HB       PHE  34   3.121   0.899   2.285
  247   2HB   PHE  34          2HB       PHE  34   3.016  -0.695   1.612
  248    HD1  PHE  34           HD1      PHE  34   2.853   1.151   4.875
  249    HD2  PHE  34           HD2      PHE  34   1.845  -2.462   2.745
  250    HE1  PHE  34           HE1      PHE  34   1.518   0.383   6.810
  251    HE2  PHE  34           HE2      PHE  34   0.591  -3.268   4.724
  252    HZ   PHE  34           HZ       PHE  34   0.394  -1.835   6.745
  253    H    ALA  35           H        ALA  35   4.854  -2.935   2.663
  254    HA   ALA  35           HA       ALA  35   4.616  -3.676   5.365
  255   1HB   ALA  35          1HB       ALA  35   4.228  -5.198   3.473
  256   2HB   ALA  35          2HB       ALA  35   5.960  -5.160   3.069
  257   3HB   ALA  35          3HB       ALA  35   5.417  -5.881   4.601
  258    H    GLN  36           H        GLN  36   7.506  -2.932   3.455
  259    HA   GLN  36           HA       GLN  36   9.432  -3.787   5.444
  260   1HB   GLN  36          1HB       GLN  36   9.657  -2.068   2.944
  261   2HB   GLN  36          2HB       GLN  36  11.011  -2.673   3.876
  262   1HG   GLN  36          1HG       GLN  36  10.339  -5.005   3.350
  263   2HG   GLN  36          2HG       GLN  36   8.936  -4.407   2.452
  264   1HE2  GLN  36          2HE2      GLN  36  12.535  -4.172   2.545
  265   2HE2  GLN  36          1HE2      GLN  36  12.721  -3.939   0.820
  266    H    CYS  37           H        CYS  37   7.880  -0.766   4.476
  267    HA   CYS  37           HA       CYS  37   9.628   1.096   5.503
  268   1HB   CYS  37          1HB       CYS  37   7.463   1.385   4.099
  269   2HB   CYS  37          2HB       CYS  37   6.603   1.381   5.591
  270    HA   PRO  38           HA       PRO  38   9.013   0.806   9.980
  271   1HB   PRO  38          1HB       PRO  38   9.961   3.261  10.773
  272   2HB   PRO  38          2HB       PRO  38  11.006   1.928  10.210
  273   1HG   PRO  38          1HG       PRO  38  10.019   4.265   8.579
  274   2HG   PRO  38          2HG       PRO  38  11.691   3.648   8.719
  275   1HD   PRO  38          1HD       PRO  38  10.110   2.947   6.658
  276   2HD   PRO  38          2HD       PRO  38  11.181   1.730   7.388
  277    H    LYS  39           H        LYS  39   7.973   3.587   8.058
  278    HA   LYS  39           HA       LYS  39   5.967   4.635   9.741
  279   1HB   LYS  39          1HB       LYS  39   7.088   5.563   7.546
  280   2HB   LYS  39          2HB       LYS  39   5.873   4.624   6.696
  281   1HG   LYS  39          1HG       LYS  39   4.137   5.809   8.194
  282   2HG   LYS  39          2HG       LYS  39   5.508   6.815   8.712
  283   1HD   LYS  39          1HD       LYS  39   5.811   7.644   6.423
  284   2HD   LYS  39          2HD       LYS  39   4.660   6.448   5.793
  285   1HE   LYS  39          1HE       LYS  39   2.831   7.508   7.107
  286   2HE   LYS  39          2HE       LYS  39   3.968   8.760   7.647
  287   1HZ   LYS  39          1HZ       LYS  39   3.195   8.200   4.863
  288   2HZ   LYS  39          2HZ       LYS  39   2.669   9.462   5.779
  289   3HZ   LYS  39          3HZ       LYS  39   4.255   9.369   5.344
  Start of MODEL    3
    1   1H    LEU   1          1H        LEU   1  -9.723   2.347   7.981
    2   2H    LEU   1          2H        LEU   1  -8.417   3.266   7.454
    3   3H    LEU   1          3H        LEU   1  -9.894   3.370   6.657
    4    HA   LEU   1           HA       LEU   1  -8.127   1.046   6.826
    5   1HB   LEU   1          1HB       LEU   1  -9.585  -0.209   5.513
    6   2HB   LEU   1          2HB       LEU   1 -10.554   0.468   6.818
    7    HG   LEU   1           HG       LEU   1 -10.504   1.387   3.901
    8   1HD1  LEU   1          1HD1      LEU   1 -11.603  -0.785   4.297
    9   2HD1  LEU   1          2HD1      LEU   1 -12.630  -0.046   5.542
   10   3HD1  LEU   1          3HD1      LEU   1 -12.780   0.457   3.846
   11   1HD2  LEU   1          1HD2      LEU   1 -12.119   2.439   6.266
   12   2HD2  LEU   1          2HD2      LEU   1 -11.068   3.371   5.168
   13   3HD2  LEU   1          3HD2      LEU   1 -12.578   2.696   4.573
   14    H    THR   2           H        THR   2  -6.831   0.598   5.008
   15    HA   THR   2           HA       THR   2  -7.122   2.236   2.646
   16    HB   THR   2           HB       THR   2  -5.718   3.703   4.070
   17    HG1  THR   2           HG1      THR   2  -5.362   3.743   1.867
   18   1HG2  THR   2          1HG2      THR   2  -3.652   1.454   4.001
   19   2HG2  THR   2          2HG2      THR   2  -3.442   3.077   4.679
   20   3HG2  THR   2          3HG2      THR   2  -4.576   1.947   5.439
   21    H    CYS   3           H        CYS   3  -6.323   1.397   0.852
   22    HA   CYS   3           HA       CYS   3  -6.063  -1.416   0.847
   23   1HB   CYS   3          1HB       CYS   3  -7.202  -0.099  -0.872
   24   2HB   CYS   3          2HB       CYS   3  -5.667   0.571  -1.406
   25    H    PHE   4           H        PHE   4  -4.141  -2.529   1.376
   26    HA   PHE   4           HA       PHE   4  -1.608  -1.431   1.300
   27   1HB   PHE   4          1HB       PHE   4  -2.609  -4.298   1.367
   28   2HB   PHE   4          2HB       PHE   4  -1.124  -3.651   2.004
   29    HD1  PHE   4           HD1      PHE   4  -4.031  -4.965   3.141
   30    HD2  PHE   4           HD2      PHE   4  -1.767  -1.313   3.570
   31    HE1  PHE   4           HE1      PHE   4  -5.207  -4.462   5.260
   32    HE2  PHE   4           HE2      PHE   4  -2.945  -0.822   5.669
   33    HZ   PHE   4           HZ       PHE   4  -4.679  -2.393   6.526
   34    H    ASN   5           H        ASN   5  -3.483  -2.732  -1.295
   35    HA   ASN   5           HA       ASN   5  -1.275  -3.880  -2.820
   36   1HB   ASN   5          1HB       ASN   5  -3.429  -4.947  -2.820
   37   2HB   ASN   5          2HB       ASN   5  -4.264  -3.488  -3.264
   38   1HD2  ASN   5          2HD2      ASN   5  -4.528  -2.929  -5.377
   39   2HD2  ASN   5          1HD2      ASN   5  -3.974  -3.906  -6.710
   40    H    CYS   6           H        CYS   6  -3.778  -1.428  -3.479
   41    HA   CYS   6           HA       CYS   6  -2.044  -0.120  -5.457
   42   1HB   CYS   6          1HB       CYS   6  -3.941   0.684  -6.418
   43   2HB   CYS   6          2HB       CYS   6  -4.295  -0.991  -6.091
   44    H    GLY   7           H        GLY   7  -3.077   0.486  -2.191
   45   1HA   GLY   7          1HA       GLY   7  -2.440   2.231  -0.841
   46   2HA   GLY   7          2HA       GLY   7  -1.680   3.001  -2.225
   47    H    LYS   8           H        LYS   8  -5.142   2.255  -2.528
   48    HA   LYS   8           HA       LYS   8  -5.779   5.096  -2.434
   49   1HB   LYS   8          1HB       LYS   8  -6.914   2.505  -3.497
   50   2HB   LYS   8          2HB       LYS   8  -7.843   3.950  -3.356
   51   1HG   LYS   8          1HG       LYS   8  -6.148   5.186  -4.766
   52   2HG   LYS   8          2HG       LYS   8  -5.245   3.669  -4.926
   53   1HD   LYS   8          1HD       LYS   8  -7.295   2.646  -6.000
   54   2HD   LYS   8          2HD       LYS   8  -8.071   4.238  -5.932
   55   1HE   LYS   8          1HE       LYS   8  -6.272   5.185  -7.343
   56   2HE   LYS   8          2HE       LYS   8  -5.437   3.619  -7.358
   57   1HZ   LYS   8          1HZ       LYS   8  -8.106   4.123  -8.471
   58   2HZ   LYS   8          2HZ       LYS   8  -6.709   3.971  -9.333
   59   3HZ   LYS   8          3HZ       LYS   8  -7.297   2.683  -8.492
   60    HA   PRO   9           HA       PRO   9  -7.426   4.092   1.708
   61   1HB   PRO   9          1HB       PRO   9  -8.459   6.904   1.338
   62   2HB   PRO   9          2HB       PRO   9  -7.737   6.168   2.799
   63   1HG   PRO   9          1HG       PRO   9  -6.251   7.809   1.235
   64   2HG   PRO   9          2HG       PRO   9  -5.543   6.275   1.828
   65   1HD   PRO   9          1HD       PRO   9  -6.755   6.826  -0.900
   66   2HD   PRO   9          2HD       PRO   9  -5.219   6.021  -0.469
   67    H    GLY  10           H        GLY  10  -9.599   3.898   2.623
   68   1HA   GLY  10          1HA       GLY  10 -11.934   4.177   2.580
   69   2HA   GLY  10          2HA       GLY  10 -11.912   4.495   0.846
   70    H    HIS  11           H        HIS  11  -9.868   1.900   1.079
   71    HA   HIS  11           HA       HIS  11 -11.788  -0.201   1.610
   72   1HB   HIS  11          1HB       HIS  11 -11.775  -1.248  -0.521
   73   2HB   HIS  11          2HB       HIS  11 -12.379   0.375  -0.725
   74    HD1  HIS  11           HD1      HIS  11 -10.821   2.027  -2.193
   75    HD2  HIS  11           HD2      HIS  11  -9.447  -1.871  -1.825
   76    HE1  HIS  11           HE1      HIS  11  -9.030   1.659  -3.933
   77    H    THR  12           H        THR  12 -10.624  -2.309   0.852
   78    HA   THR  12           HA       THR  12  -7.830  -2.217   1.951
   79    HB   THR  12           HB       THR  12  -9.929  -4.332   2.573
   80    HG1  THR  12           HG1      THR  12 -10.485  -2.315   3.469
   81   1HG2  THR  12          1HG2      THR  12  -8.371  -4.856   4.453
   82   2HG2  THR  12          2HG2      THR  12  -7.605  -5.134   2.886
   83   3HG2  THR  12          3HG2      THR  12  -7.218  -3.668   3.814
   84    H    ALA  13           H        ALA  13  -6.418  -3.862   1.249
   85    HA   ALA  13           HA       ALA  13  -6.547  -4.450  -1.490
   86   1HB   ALA  13          1HB       ALA  13  -4.960  -5.798   0.749
   87   2HB   ALA  13          2HB       ALA  13  -4.591  -5.942  -0.982
   88   3HB   ALA  13          3HB       ALA  13  -4.451  -4.364  -0.172
   89    H    ARG  14           H        ARG  14  -7.841  -6.216   1.180
   90    HA   ARG  14           HA       ARG  14  -8.132  -8.778   0.011
   91   1HB   ARG  14          1HB       ARG  14  -8.496  -7.999   2.407
   92   2HB   ARG  14          2HB       ARG  14 -10.021  -7.304   1.911
   93   1HG   ARG  14          1HG       ARG  14 -10.856  -9.547   1.229
   94   2HG   ARG  14          2HG       ARG  14  -9.269 -10.253   1.569
   95   1HD   ARG  14          1HD       ARG  14 -10.766 -10.757   3.422
   96   2HD   ARG  14          2HD       ARG  14  -9.478  -9.678   3.952
   97    HE   ARG  14           HE       ARG  14 -10.998  -8.049   4.436
   98   1HH1  ARG  14          1HH2      ARG  14 -12.613 -10.425   2.344
   99   2HH1  ARG  14          2HH2      ARG  14 -14.204  -9.763   2.611
  100   1HH2  ARG  14          1HH1      ARG  14 -13.088  -7.201   4.783
  101   2HH2  ARG  14          2HH1      ARG  14 -14.473  -7.921   4.003
  102    H    MET  15           H        MET  15 -10.094  -5.882  -0.043
  103    HA   MET  15           HA       MET  15 -12.282  -6.964  -1.632
  104   1HB   MET  15          1HB       MET  15 -11.503  -4.077  -0.948
  105   2HB   MET  15          2HB       MET  15 -12.998  -4.643  -1.648
  106   1HG   MET  15          1HG       MET  15 -13.086  -6.199   0.490
  107   2HG   MET  15          2HG       MET  15 -11.897  -5.078   1.143
  108   1HE   MET  15          1HE       MET  15 -13.428  -4.642   3.218
  109   2HE   MET  15          2HE       MET  15 -15.125  -4.118   3.116
  110   3HE   MET  15          3HE       MET  15 -14.666  -5.745   2.565
  111    H    CYS  16           H        CYS  16  -9.450  -4.965  -2.128
  112    HA   CYS  16           HA       CYS  16  -9.953  -3.912  -4.630
  113   1HB   CYS  16          1HB       CYS  16  -8.158  -3.334  -2.973
  114   2HB   CYS  16          2HB       CYS  16  -7.191  -4.648  -3.644
  115    H    ARG  17           H        ARG  17  -9.938  -4.572  -6.620
  116    HA   ARG  17           HA       ARG  17  -9.006  -7.263  -7.422
  117   1HB   ARG  17          1HB       ARG  17 -11.317  -6.559  -7.926
  118   2HB   ARG  17          2HB       ARG  17 -10.715  -5.157  -8.812
  119   1HG   ARG  17          1HG       ARG  17 -11.425  -6.922 -10.325
  120   2HG   ARG  17          2HG       ARG  17  -9.698  -6.608 -10.515
  121   1HD   ARG  17          1HD       ARG  17  -9.154  -8.618  -9.207
  122   2HD   ARG  17          2HD       ARG  17 -10.880  -8.878  -8.852
  123    HE   ARG  17           HE       ARG  17 -10.559  -8.768 -11.656
  124   1HH1  ARG  17          1HH2      ARG  17  -9.605 -10.861  -8.954
  125   2HH1  ARG  17          2HH2      ARG  17  -9.545 -12.309  -9.927
  126   1HH2  ARG  17          1HH1      ARG  17 -10.478 -10.674 -12.925
  127   2HH2  ARG  17          2HH1      ARG  17 -10.045 -12.200 -12.198
  128    H    GLN  18           H        GLN  18  -8.339  -3.856  -7.785
  129    HA   GLN  18           HA       GLN  18  -7.035  -3.619 -10.192
  130   1HB   GLN  18          1HB       GLN  18  -6.270  -2.248  -7.602
  131   2HB   GLN  18          2HB       GLN  18  -5.999  -1.607  -9.192
  132   1HG   GLN  18          1HG       GLN  18  -8.335  -1.281  -9.616
  133   2HG   GLN  18          2HG       GLN  18  -8.800  -2.061  -8.100
  134   1HE2  GLN  18          2HE2      GLN  18  -9.316  -0.714  -6.471
  135   2HE2  GLN  18          1HE2      GLN  18  -8.682   0.905  -6.262
  136    HA   PRO  19           HA       PRO  19  -3.019  -5.546  -9.524
  137   1HB   PRO  19          1HB       PRO  19  -1.380  -4.130 -11.185
  138   2HB   PRO  19          2HB       PRO  19  -2.671  -5.206 -11.794
  139   1HG   PRO  19          1HG       PRO  19  -2.788  -2.208 -11.424
  140   2HG   PRO  19          2HG       PRO  19  -3.279  -3.153 -12.861
  141   1HD   PRO  19          1HD       PRO  19  -5.050  -2.301 -10.975
  142   2HD   PRO  19          2HD       PRO  19  -5.300  -3.862 -11.772
  143    H    ARG  20           H        ARG  20  -0.815  -5.033  -8.637
  144    HA   ARG  20           HA       ARG  20  -1.148  -3.220  -6.447
  145   1HB   ARG  20          1HB       ARG  20   0.728  -4.220  -5.514
  146   2HB   ARG  20          2HB       ARG  20  -0.112  -5.525  -6.343
  147   1HG   ARG  20          1HG       ARG  20   2.343  -4.047  -7.398
  148   2HG   ARG  20          2HG       ARG  20   2.341  -5.586  -6.554
  149   1HD   ARG  20          1HD       ARG  20   0.887  -6.508  -8.452
  150   2HD   ARG  20          2HD       ARG  20   1.129  -4.960  -9.280
  151    HE   ARG  20           HE       ARG  20   3.230  -5.523  -9.868
  152   1HH1  ARG  20          1HH1      ARG  20   2.192  -7.796  -7.341
  153   2HH1  ARG  20          2HH1      ARG  20   3.558  -8.857  -7.562
  154   1HH2  ARG  20          1HH2      ARG  20   5.013  -6.922 -10.143
  155   2HH2  ARG  20          2HH2      ARG  20   5.174  -8.352  -9.156
  156    H    GLN  21           H        GLN  21   0.785  -1.965  -5.690
  157    HA   GLN  21           HA       GLN  21   1.165   0.341  -7.089
  158   1HB   GLN  21          1HB       GLN  21   2.471   0.740  -5.098
  159   2HB   GLN  21          2HB       GLN  21   1.075  -0.184  -4.657
  160   1HG   GLN  21          1HG       GLN  21   2.739  -2.278  -4.962
  161   2HG   GLN  21          2HG       GLN  21   3.985  -1.046  -4.789
  162   1HE2  GLN  21          2HE2      GLN  21   0.973  -2.302  -3.269
  163   2HE2  GLN  21          1HE2      GLN  21   1.497  -2.100  -1.616
  164    H    GLU  22           H        GLU  22   3.259   1.343  -7.567
  165    HA   GLU  22           HA       GLU  22   5.077  -0.306  -9.151
  166   1HB   GLU  22          1HB       GLU  22   5.084   2.651  -8.376
  167   2HB   GLU  22          2HB       GLU  22   6.210   1.859  -9.485
  168   1HG   GLU  22          1HG       GLU  22   4.255   1.213 -10.928
  169   2HG   GLU  22          2HG       GLU  22   3.208   2.183  -9.875
  170    H    GLY  23           H        GLY  23   5.321   1.911  -6.404
  171   1HA   GLY  23          1HA       GLY  23   7.240   0.171  -4.959
  172   2HA   GLY  23          2HA       GLY  23   7.649   1.869  -5.257
  173    H    CYS  24           H        CYS  24   7.504   2.572  -3.116
  174    HA   CYS  24           HA       CYS  24   5.377   1.770  -1.361
  175   1HB   CYS  24          1HB       CYS  24   7.782   2.476  -0.781
  176   2HB   CYS  24          2HB       CYS  24   7.216   4.122  -0.908
  177    H    TRP  25           H        TRP  25   3.358   2.397  -1.818
  178    HA   TRP  25           HA       TRP  25   2.648   4.919  -3.029
  179   1HB   TRP  25          1HB       TRP  25   0.351   4.130  -2.563
  180   2HB   TRP  25          2HB       TRP  25   1.329   2.954  -3.374
  181    HD1  TRP  25           HD1      TRP  25   1.219   0.657  -2.515
  182    HE1  TRP  25           HE1      TRP  25   0.362  -0.567  -0.357
  183    HE3  TRP  25           HE3      TRP  25  -0.170   4.687   0.057
  184    HZ2  TRP  25           HZ2      TRP  25  -0.683   0.256   2.228
  185    HZ3  TRP  25           HZ3      TRP  25  -0.755   4.528   2.490
  186    HH2  TRP  25           HH2      TRP  25  -1.225   2.289   3.508
  187    H    ASN  26           H        ASN  26   3.085   3.724   0.206
  188    HA   ASN  26           HA       ASN  26   1.465   5.659   1.614
  189   1HB   ASN  26          1HB       ASN  26   1.749   3.836   2.912
  190   2HB   ASN  26          2HB       ASN  26   3.170   3.316   2.135
  191   1HD2  ASN  26          2HD2      ASN  26   4.981   3.218   3.475
  192   2HD2  ASN  26          1HD2      ASN  26   5.192   4.257   4.849
  193    H    CYS  27           H        CYS  27   4.872   5.097   1.486
  194    HA   CYS  27           HA       CYS  27   5.432   7.839   2.417
  195   1HB   CYS  27          1HB       CYS  27   7.165   7.069   3.426
  196   2HB   CYS  27          2HB       CYS  27   6.509   5.500   3.159
  197    H    GLY  28           H        GLY  28   5.368   6.297  -0.654
  198   1HA   GLY  28          1HA       GLY  28   5.368   7.547  -2.620
  199   2HA   GLY  28          2HA       GLY  28   6.290   8.835  -1.861
  200    H    SER  29           H        SER  29   7.884   5.922  -1.140
  201    HA   SER  29           HA       SER  29  10.053   6.459  -2.890
  202   1HB   SER  29          1HB       SER  29  10.023   5.244  -0.600
  203   2HB   SER  29          2HB       SER  29   9.559   3.805  -1.501
  204    HG   SER  29           HG       SER  29  11.874   5.373  -1.949
  205    H    LYS  30           H        LYS  30  10.974   4.871  -4.349
  206    HA   LYS  30           HA       LYS  30   9.058   3.505  -6.121
  207   1HB   LYS  30          1HB       LYS  30  10.111   5.624  -6.937
  208   2HB   LYS  30          2HB       LYS  30  11.688   5.002  -6.467
  209   1HG   LYS  30          1HG       LYS  30  11.939   4.377  -8.509
  210   2HG   LYS  30          2HG       LYS  30  10.865   3.018  -8.162
  211   1HD   LYS  30          1HD       LYS  30  10.054   5.709  -9.368
  212   2HD   LYS  30          2HD       LYS  30  10.230   4.184 -10.250
  213   1HE   LYS  30          1HE       LYS  30   8.391   3.190  -8.881
  214   2HE   LYS  30          2HE       LYS  30   8.171   4.750  -8.064
  215   1HZ   LYS  30          1HZ       LYS  30   7.672   5.723 -10.188
  216   2HZ   LYS  30          2HZ       LYS  30   7.852   4.270 -10.942
  217   3HZ   LYS  30          3HZ       LYS  30   6.631   4.493  -9.866
  218    H    GLU  31           H        GLU  31  12.161   3.389  -4.362
  219    HA   GLU  31           HA       GLU  31  13.353   1.194  -5.545
  220   1HB   GLU  31          1HB       GLU  31  13.569   2.560  -2.802
  221   2HB   GLU  31          2HB       GLU  31  14.751   1.549  -3.594
  222   1HG   GLU  31          1HG       GLU  31  13.901   4.342  -4.404
  223   2HG   GLU  31          2HG       GLU  31  15.486   3.800  -3.865
  224    H    HIS  32           H        HIS  32  11.347   1.639  -2.688
  225    HA   HIS  32           HA       HIS  32  11.021  -1.333  -2.407
  226   1HB   HIS  32          1HB       HIS  32  10.920  -1.142  -0.027
  227   2HB   HIS  32          2HB       HIS  32  12.417  -0.441  -0.573
  228    HD1  HIS  32           HD1      HIS  32  12.573   2.274  -0.339
  229    HD2  HIS  32           HD2      HIS  32   9.083   0.580   1.164
  230    HE1  HIS  32           HE1      HIS  32  11.325   4.037   0.955
  231    H    ARG  33           H        ARG  33   9.070  -1.737  -0.947
  232    HA   ARG  33           HA       ARG  33   6.733  -0.253  -2.022
  233   1HB   ARG  33          1HB       ARG  33   7.108  -3.145  -1.184
  234   2HB   ARG  33          2HB       ARG  33   5.633  -2.459  -1.805
  235   1HG   ARG  33          1HG       ARG  33   6.665  -1.919  -3.949
  236   2HG   ARG  33          2HG       ARG  33   8.232  -2.536  -3.402
  237   1HD   ARG  33          1HD       ARG  33   7.321  -4.784  -3.132
  238   2HD   ARG  33          2HD       ARG  33   5.717  -4.241  -3.641
  239    HE   ARG  33           HE       ARG  33   8.053  -4.803  -5.298
  240   1HH1  ARG  33          1HH2      ARG  33   5.020  -2.978  -5.170
  241   2HH1  ARG  33          2HH2      ARG  33   4.954  -2.701  -6.891
  242   1HH2  ARG  33          1HH1      ARG  33   7.971  -4.424  -7.566
  243   2HH2  ARG  33          2HH1      ARG  33   6.649  -3.512  -8.251
  244    H    PHE  34           H        PHE  34   4.755  -0.487  -0.713
  245    HA   PHE  34           HA       PHE  34   5.132   0.662   1.871
  246   1HB   PHE  34          1HB       PHE  34   3.093   1.202   0.991
  247   2HB   PHE  34          2HB       PHE  34   2.796  -0.350   0.318
  248    HD1  PHE  34           HD1      PHE  34   1.602  -2.072   1.537
  249    HD2  PHE  34           HD2      PHE  34   2.923   1.492   3.580
  250    HE1  PHE  34           HE1      PHE  34   0.471  -2.822   3.611
  251    HE2  PHE  34           HE2      PHE  34   1.668   0.804   5.591
  252    HZ   PHE  34           HZ       PHE  34   0.451  -1.362   5.620
  253    H    ALA  35           H        ALA  35   4.359  -2.659   0.933
  254    HA   ALA  35           HA       ALA  35   4.160  -3.874   3.429
  255   1HB   ALA  35          1HB       ALA  35   3.712  -5.014   1.294
  256   2HB   ALA  35          2HB       ALA  35   5.447  -4.994   0.904
  257   3HB   ALA  35          3HB       ALA  35   4.853  -5.950   2.281
  258    H    GLN  36           H        GLN  36   7.124  -3.041   1.660
  259    HA   GLN  36           HA       GLN  36   8.958  -4.255   3.536
  260   1HB   GLN  36          1HB       GLN  36   9.334  -2.198   1.322
  261   2HB   GLN  36          2HB       GLN  36  10.627  -3.000   2.186
  262   1HG   GLN  36          1HG       GLN  36   9.884  -5.190   1.313
  263   2HG   GLN  36          2HG       GLN  36   8.504  -4.428   0.512
  264   1HE2  GLN  36          2HE2      GLN  36  12.110  -4.282   0.629
  265   2HE2  GLN  36          1HE2      GLN  36  12.298  -3.841  -1.056
  266    H    CYS  37           H        CYS  37   7.624  -1.029   2.959
  267    HA   CYS  37           HA       CYS  37   9.440   0.466   4.512
  268   1HB   CYS  37          1HB       CYS  37   7.897   1.283   2.743
  269   2HB   CYS  37          2HB       CYS  37   6.574   1.104   3.767
  270    HA   PRO  38           HA       PRO  38   7.968  -0.523   8.688
  271   1HB   PRO  38          1HB       PRO  38   8.980   2.301   9.141
  272   2HB   PRO  38          2HB       PRO  38   9.194   0.867  10.183
  273   1HG   PRO  38          1HG       PRO  38  11.203   1.663   8.549
  274   2HG   PRO  38          2HG       PRO  38  10.777  -0.073   8.638
  275   1HD   PRO  38          1HD       PRO  38  10.000   1.920   6.491
  276   2HD   PRO  38          2HD       PRO  38  10.561   0.225   6.356
  277    H    LYS  39           H        LYS  39   7.300   2.547   7.069
  278    HA   LYS  39           HA       LYS  39   4.849   3.138   8.591
  279   1HB   LYS  39          1HB       LYS  39   6.477   4.498   6.413
  280   2HB   LYS  39          2HB       LYS  39   4.822   4.998   6.725
  281   1HG   LYS  39          1HG       LYS  39   6.246   6.433   7.953
  282   2HG   LYS  39          2HG       LYS  39   5.302   5.433   9.068
  283   1HD   LYS  39          1HD       LYS  39   7.235   4.002   9.511
  284   2HD   LYS  39          2HD       LYS  39   8.220   4.910   8.347
  285   1HE   LYS  39          1HE       LYS  39   6.948   6.011  10.907
  286   2HE   LYS  39          2HE       LYS  39   8.641   5.518  10.733
  287   1HZ   LYS  39          1HZ       LYS  39   8.905   7.216   9.071
  288   2HZ   LYS  39          2HZ       LYS  39   7.341   7.701   9.265
  289   3HZ   LYS  39          3HZ       LYS  39   8.410   7.856  10.506
  Start of MODEL    4
    1   1H    LEU   1          1H        LEU   1  -8.559   1.352   9.970
    2   2H    LEU   1          2H        LEU   1  -7.104   1.564   9.155
    3   3H    LEU   1          3H        LEU   1  -8.300   2.742   9.060
    4    HA   LEU   1           HA       LEU   1  -8.450   0.000   8.030
    5   1HB   LEU   1          1HB       LEU   1 -10.625   0.768   8.820
    6   2HB   LEU   1          2HB       LEU   1 -10.458   2.282   7.927
    7    HG   LEU   1           HG       LEU   1 -10.526   1.034   5.776
    8   1HD1  LEU   1          1HD2      LEU   1 -10.956  -1.402   7.564
    9   2HD1  LEU   1          2HD2      LEU   1 -11.241  -1.361   5.813
   10   3HD1  LEU   1          3HD2      LEU   1  -9.604  -1.132   6.440
   11   1HD2  LEU   1          1HD1      LEU   1 -12.594   1.921   6.769
   12   2HD2  LEU   1          2HD1      LEU   1 -12.901   0.414   5.888
   13   3HD2  LEU   1          3HD1      LEU   1 -12.829   0.403   7.662
   14    H    THR   2           H        THR   2  -6.787   0.001   6.520
   15    HA   THR   2           HA       THR   2  -7.202   1.709   4.234
   16    HB   THR   2           HB       THR   2  -5.724   3.143   5.622
   17    HG1  THR   2           HG1      THR   2  -5.497   3.265   3.409
   18   1HG2  THR   2          1HG2      THR   2  -3.663   0.906   5.364
   19   2HG2  THR   2          2HG2      THR   2  -3.418   2.508   6.081
   20   3HG2  THR   2          3HG2      THR   2  -4.504   1.349   6.866
   21    H    CYS   3           H        CYS   3  -6.473   0.966   2.375
   22    HA   CYS   3           HA       CYS   3  -6.206  -1.818   2.132
   23   1HB   CYS   3          1HB       CYS   3  -7.312  -0.301   0.536
   24   2HB   CYS   3          2HB       CYS   3  -5.770   0.363   0.065
   25    H    PHE   4           H        PHE   4  -4.360  -3.043   2.466
   26    HA   PHE   4           HA       PHE   4  -1.740  -1.993   2.446
   27   1HB   PHE   4          1HB       PHE   4  -2.930  -4.792   2.676
   28   2HB   PHE   4          2HB       PHE   4  -1.405  -4.217   3.281
   29    HD1  PHE   4           HD1      PHE   4  -1.919  -1.802   4.783
   30    HD2  PHE   4           HD2      PHE   4  -4.317  -5.375   4.491
   31    HE1  PHE   4           HE1      PHE   4  -2.929  -1.297   6.974
   32    HE2  PHE   4           HE2      PHE   4  -5.317  -4.867   6.699
   33    HZ   PHE   4           HZ       PHE   4  -4.638  -2.826   7.941
   34    H    ASN   5           H        ASN   5  -3.190  -1.977  -0.160
   35    HA   ASN   5           HA       ASN   5  -1.320  -3.601  -1.830
   36   1HB   ASN   5          1HB       ASN   5  -3.325  -4.884  -1.694
   37   2HB   ASN   5          2HB       ASN   5  -4.362  -3.510  -1.925
   38   1HD2  ASN   5          2HD2      ASN   5  -4.820  -2.732  -3.984
   39   2HD2  ASN   5          1HD2      ASN   5  -4.346  -3.572  -5.436
   40    H    CYS   6           H        CYS   6  -4.117  -1.456  -2.434
   41    HA   CYS   6           HA       CYS   6  -2.552   0.085  -4.337
   42   1HB   CYS   6          1HB       CYS   6  -4.536   0.938  -5.077
   43   2HB   CYS   6          2HB       CYS   6  -4.842  -0.761  -4.826
   44    H    GLY   7           H        GLY   7  -3.461   0.396  -0.975
   45   1HA   GLY   7          1HA       GLY   7  -2.728   1.960   0.509
   46   2HA   GLY   7          2HA       GLY   7  -2.015   2.888  -0.812
   47    H    LYS   8           H        LYS   8  -5.426   2.177  -1.190
   48    HA   LYS   8           HA       LYS   8  -6.099   4.999  -0.646
   49   1HB   LYS   8          1HB       LYS   8  -7.411   2.692  -2.050
   50   2HB   LYS   8          2HB       LYS   8  -8.320   4.121  -1.572
   51   1HG   LYS   8          1HG       LYS   8  -7.583   4.263  -3.874
   52   2HG   LYS   8          2HG       LYS   8  -6.945   5.572  -2.863
   53   1HD   LYS   8          1HD       LYS   8  -4.744   4.718  -2.874
   54   2HD   LYS   8          2HD       LYS   8  -5.245   3.163  -3.541
   55   1HE   LYS   8          1HE       LYS   8  -5.428   5.810  -5.026
   56   2HE   LYS   8          2HE       LYS   8  -4.110   4.636  -5.182
   57   1HZ   LYS   8          1HZ       LYS   8  -5.727   3.019  -5.936
   58   2HZ   LYS   8          2HZ       LYS   8  -6.920   4.150  -5.870
   59   3HZ   LYS   8          3HZ       LYS   8  -5.666   4.342  -6.915
   60    HA   PRO   9           HA       PRO   9  -7.601   3.590   3.397
   61   1HB   PRO   9          1HB       PRO   9  -8.826   6.347   3.290
   62   2HB   PRO   9          2HB       PRO   9  -8.006   5.548   4.664
   63   1HG   PRO   9          1HG       PRO   9  -6.684   7.396   3.189
   64   2HG   PRO   9          2HG       PRO   9  -5.861   5.869   3.634
   65   1HD   PRO   9          1HD       PRO   9  -7.194   6.557   0.995
   66   2HD   PRO   9          2HD       PRO   9  -5.603   5.811   1.326
   67    H    GLY  10           H        GLY  10  -9.772   3.432   4.477
   68   1HA   GLY  10          1HA       GLY  10 -12.096   3.504   4.529
   69   2HA   GLY  10          2HA       GLY  10 -12.169   3.933   2.818
   70    H    HIS  11           H        HIS  11  -9.992   1.378   3.003
   71    HA   HIS  11           HA       HIS  11 -11.834  -0.813   3.399
   72   1HB   HIS  11          1HB       HIS  11 -11.695  -1.775   1.169
   73   2HB   HIS  11          2HB       HIS  11 -12.482  -0.311   1.110
   74    HD1  HIS  11           HD1      HIS  11 -11.055   1.774  -0.147
   75    HD2  HIS  11           HD2      HIS  11  -9.609  -2.075  -0.286
   76    HE1  HIS  11           HE1      HIS  11  -9.410   1.648  -2.063
   77    H    THR  12           H        THR  12 -10.585  -2.691   2.232
   78    HA   THR  12           HA       THR  12  -7.796  -2.775   3.340
   79    HB   THR  12           HB       THR  12  -9.839  -5.015   3.680
   80    HG1  THR  12           HG1      THR  12  -9.114  -2.976   5.503
   81   1HG2  THR  12          1HG2      THR  12  -8.291  -5.723   5.498
   82   2HG2  THR  12          2HG2      THR  12  -7.467  -5.724   3.934
   83   3HG2  THR  12          3HG2      THR  12  -7.197  -4.391   5.076
   84    H    ALA  13           H        ALA  13  -6.386  -4.302   2.354
   85    HA   ALA  13           HA       ALA  13  -6.666  -4.626  -0.429
   86   1HB   ALA  13          1HB       ALA  13  -4.926  -6.129   1.581
   87   2HB   ALA  13          2HB       ALA  13  -4.691  -6.155  -0.178
   88   3HB   ALA  13          3HB       ALA  13  -4.490  -4.635   0.719
   89    H    ARG  14           H        ARG  14  -7.749  -6.656   2.163
   90    HA   ARG  14           HA       ARG  14  -8.151  -9.107   0.831
   91   1HB   ARG  14          1HB       ARG  14  -8.361  -8.496   3.288
   92   2HB   ARG  14          2HB       ARG  14  -9.901  -7.746   2.939
   93   1HG   ARG  14          1HG       ARG  14 -10.803  -9.918   2.114
   94   2HG   ARG  14          2HG       ARG  14  -9.241 -10.695   2.429
   95   1HD   ARG  14          1HD       ARG  14 -11.012  -9.368   4.528
   96   2HD   ARG  14          2HD       ARG  14 -10.932 -11.112   4.207
   97    HE   ARG  14           HE       ARG  14  -8.299 -10.245   4.682
   98   1HH1  ARG  14          1HH2      ARG  14 -11.343 -10.556   6.480
   99   2HH1  ARG  14          2HH2      ARG  14 -10.557 -10.786   8.021
  100   1HH2  ARG  14          1HH1      ARG  14  -7.278 -10.547   6.710
  101   2HH2  ARG  14          2HH1      ARG  14  -8.234 -10.783   8.150
  102    H    MET  15           H        MET  15 -10.094  -6.210   1.104
  103    HA   MET  15           HA       MET  15 -12.382  -7.219  -0.424
  104   1HB   MET  15          1HB       MET  15 -11.622  -4.476   0.701
  105   2HB   MET  15          2HB       MET  15 -13.095  -4.839  -0.171
  106   1HG   MET  15          1HG       MET  15 -13.558  -6.654   1.560
  107   2HG   MET  15          2HG       MET  15 -12.158  -6.065   2.460
  108   1HE   MET  15          1HE       MET  15 -14.980  -6.458   3.778
  109   2HE   MET  15          2HE       MET  15 -13.562  -5.819   4.646
  110   3HE   MET  15          3HE       MET  15 -15.119  -4.964   4.734
  111    H    CYS  16           H        CYS  16  -9.596  -5.145  -0.911
  112    HA   CYS  16           HA       CYS  16 -10.330  -3.828  -3.234
  113   1HB   CYS  16          1HB       CYS  16  -8.400  -3.387  -1.682
  114   2HB   CYS  16          2HB       CYS  16  -7.492  -4.628  -2.545
  115    H    ARG  17           H        ARG  17 -10.043  -4.077  -5.319
  116    HA   ARG  17           HA       ARG  17  -9.282  -6.716  -6.495
  117   1HB   ARG  17          1HB       ARG  17 -11.632  -5.955  -6.759
  118   2HB   ARG  17          2HB       ARG  17 -11.060  -4.501  -7.591
  119   1HG   ARG  17          1HG       ARG  17 -10.115  -5.879  -9.409
  120   2HG   ARG  17          2HG       ARG  17 -10.503  -7.359  -8.512
  121   1HD   ARG  17          1HD       ARG  17 -12.151  -6.994 -10.259
  122   2HD   ARG  17          2HD       ARG  17 -12.914  -6.822  -8.665
  123    HE   ARG  17           HE       ARG  17 -12.014  -4.270  -9.589
  124   1HH1  ARG  17          1HH1      ARG  17 -14.524  -6.680 -10.283
  125   2HH1  ARG  17          2HH1      ARG  17 -15.655  -5.510 -10.913
  126   1HH2  ARG  17          1HH2      ARG  17 -13.507  -2.741 -10.414
  127   2HH2  ARG  17          2HH2      ARG  17 -15.071  -3.258 -10.988
  128    H    GLN  18           H        GLN  18  -8.663  -3.264  -6.441
  129    HA   GLN  18           HA       GLN  18  -7.503  -2.737  -8.871
  130   1HB   GLN  18          1HB       GLN  18  -6.511  -1.591  -6.325
  131   2HB   GLN  18          2HB       GLN  18  -6.503  -0.841  -7.887
  132   1HG   GLN  18          1HG       GLN  18  -8.899  -0.666  -7.969
  133   2HG   GLN  18          2HG       GLN  18  -9.049  -1.430  -6.374
  134   1HE2  GLN  18          2HE2      GLN  18 -10.062   0.352  -5.377
  135   2HE2  GLN  18          1HE2      GLN  18  -9.193   1.829  -5.025
  136    HA   PRO  19           HA       PRO  19  -3.370  -4.514  -8.911
  137   1HB   PRO  19          1HB       PRO  19  -2.510  -1.722  -9.705
  138   2HB   PRO  19          2HB       PRO  19  -2.087  -3.275 -10.480
  139   1HG   PRO  19          1HG       PRO  19  -3.979  -1.654 -11.577
  140   2HG   PRO  19          2HG       PRO  19  -4.253  -3.421 -11.490
  141   1HD   PRO  19          1HD       PRO  19  -5.418  -1.296  -9.661
  142   2HD   PRO  19          2HD       PRO  19  -6.164  -2.717 -10.336
  143    H    ARG  20           H        ARG  20  -1.278  -4.354  -7.797
  144    HA   ARG  20           HA       ARG  20  -1.403  -2.935  -5.231
  145   1HB   ARG  20          1HB       ARG  20   0.471  -4.267  -4.619
  146   2HB   ARG  20          2HB       ARG  20  -0.604  -5.321  -5.541
  147   1HG   ARG  20          1HG       ARG  20   0.840  -4.780  -7.597
  148   2HG   ARG  20          2HG       ARG  20   1.969  -3.987  -6.504
  149   1HD   ARG  20          1HD       ARG  20   2.750  -6.214  -6.908
  150   2HD   ARG  20          2HD       ARG  20   2.228  -6.082  -5.215
  151    HE   ARG  20           HE       ARG  20   0.044  -7.015  -6.785
  152   1HH1  ARG  20          1HH2      ARG  20   3.211  -8.142  -5.655
  153   2HH1  ARG  20          2HH2      ARG  20   2.755  -9.827  -5.646
  154   1HH2  ARG  20          1HH1      ARG  20  -0.550  -9.227  -6.767
  155   2HH2  ARG  20          2HH1      ARG  20   0.601 -10.446  -6.287
  156    H    GLN  21           H        GLN  21   0.872  -2.092  -4.567
  157    HA   GLN  21           HA       GLN  21   1.820  -0.111  -6.585
  158   1HB   GLN  21          1HB       GLN  21   0.877   0.924  -4.610
  159   2HB   GLN  21          2HB       GLN  21   1.902  -0.070  -3.558
  160   1HG   GLN  21          1HG       GLN  21   2.753   2.267  -3.813
  161   2HG   GLN  21          2HG       GLN  21   3.902   1.026  -4.287
  162   1HE2  GLN  21          2HE2      GLN  21   1.244   2.969  -5.802
  163   2HE2  GLN  21          1HE2      GLN  21   2.144   3.352  -7.255
  164    H    GLU  22           H        GLU  22   3.923  -0.063  -7.062
  165    HA   GLU  22           HA       GLU  22   5.483  -2.469  -6.693
  166   1HB   GLU  22          1HB       GLU  22   6.087   0.192  -8.068
  167   2HB   GLU  22          2HB       GLU  22   6.996  -1.308  -8.254
  168   1HG   GLU  22          1HG       GLU  22   4.077  -0.826  -9.066
  169   2HG   GLU  22          2HG       GLU  22   5.457  -0.949 -10.138
  170    H    GLY  23           H        GLY  23   5.796   0.948  -5.809
  171   1HA   GLY  23          1HA       GLY  23   8.132   0.497  -4.067
  172   2HA   GLY  23          2HA       GLY  23   7.312   2.011  -4.462
  173    H    CYS  24           H        CYS  24   7.115   2.665  -2.382
  174    HA   CYS  24           HA       CYS  24   5.418   1.163  -0.440
  175   1HB   CYS  24          1HB       CYS  24   7.655   2.066   0.291
  176   2HB   CYS  24          2HB       CYS  24   7.088   3.679  -0.086
  177    H    TRP  25           H        TRP  25   3.249   1.681  -0.590
  178    HA   TRP  25           HA       TRP  25   2.366   4.045  -2.015
  179   1HB   TRP  25          1HB       TRP  25   0.150   3.201  -1.464
  180   2HB   TRP  25          2HB       TRP  25   1.112   1.999  -2.227
  181    HD1  TRP  25           HD1      TRP  25   1.124  -0.251  -1.149
  182    HE1  TRP  25           HE1      TRP  25   0.292  -1.279   1.113
  183    HE3  TRP  25           HE3      TRP  25  -0.414   3.972   1.062
  184    HZ2  TRP  25           HZ2      TRP  25  -0.850  -0.280   3.569
  185    HZ3  TRP  25           HZ3      TRP  25  -1.086   4.003   3.493
  186    HH2  TRP  25           HH2      TRP  25  -1.435   1.847   4.690
  187    H    ASN  26           H        ASN  26   3.044   3.220   1.326
  188    HA   ASN  26           HA       ASN  26   1.191   5.118   2.509
  189   1HB   ASN  26          1HB       ASN  26   1.715   3.122   3.698
  190   2HB   ASN  26          2HB       ASN  26   3.441   3.381   3.533
  191   1HD2  ASN  26          2HD2      ASN  26   4.228   3.697   5.585
  192   2HD2  ASN  26          1HD2      ASN  26   3.508   4.761   6.762
  193    H    CYS  27           H        CYS  27   4.755   4.984   2.150
  194    HA   CYS  27           HA       CYS  27   4.876   7.842   2.900
  195   1HB   CYS  27          1HB       CYS  27   6.845   7.515   3.754
  196   2HB   CYS  27          2HB       CYS  27   6.171   5.950   4.097
  197    H    GLY  28           H        GLY  28   5.117   5.815   0.064
  198   1HA   GLY  28          1HA       GLY  28   5.105   6.669  -2.091
  199   2HA   GLY  28          2HA       GLY  28   5.600   8.245  -1.502
  200    H    SER  29           H        SER  29   7.556   5.506  -0.485
  201    HA   SER  29           HA       SER  29   9.815   6.457  -2.104
  202   1HB   SER  29          1HB       SER  29  10.142   5.801   0.243
  203   2HB   SER  29          2HB       SER  29   9.631   4.140  -0.157
  204    HG   SER  29           HG       SER  29  12.020   4.783  -0.208
  205    H    LYS  30           H        LYS  30  11.129   4.705  -3.153
  206    HA   LYS  30           HA       LYS  30   9.529   2.888  -4.871
  207   1HB   LYS  30          1HB       LYS  30  11.231   3.361  -6.510
  208   2HB   LYS  30          2HB       LYS  30  10.461   4.851  -5.942
  209   1HG   LYS  30          1HG       LYS  30  12.482   5.320  -4.532
  210   2HG   LYS  30          2HG       LYS  30  13.216   3.826  -5.122
  211   1HD   LYS  30          1HD       LYS  30  14.122   5.724  -6.310
  212   2HD   LYS  30          2HD       LYS  30  13.250   4.649  -7.405
  213   1HE   LYS  30          1HE       LYS  30  12.858   7.051  -7.885
  214   2HE   LYS  30          2HE       LYS  30  11.359   6.196  -7.520
  215   1HZ   LYS  30          1HZ       LYS  30  12.880   7.864  -5.633
  216   2HZ   LYS  30          2HZ       LYS  30  11.501   8.309  -6.418
  217   3HZ   LYS  30          3HZ       LYS  30  11.457   7.094  -5.308
  218    H    GLU  31           H        GLU  31  12.195   3.273  -2.617
  219    HA   GLU  31           HA       GLU  31  13.978   1.299  -3.270
  220   1HB   GLU  31          1HB       GLU  31  13.097   2.642  -0.666
  221   2HB   GLU  31          2HB       GLU  31  14.636   1.880  -0.984
  222   1HG   GLU  31          1HG       GLU  31  15.234   3.590  -2.598
  223   2HG   GLU  31          2HG       GLU  31  13.680   4.392  -2.427
  224    H    HIS  32           H        HIS  32  11.260   1.472  -1.033
  225    HA   HIS  32           HA       HIS  32  11.239  -1.497  -0.593
  226   1HB   HIS  32          1HB       HIS  32  10.945  -1.115   1.789
  227   2HB   HIS  32          2HB       HIS  32  12.438  -0.396   1.254
  228    HD1  HIS  32           HD1      HIS  32  12.501   2.334   1.278
  229    HD2  HIS  32           HD2      HIS  32   8.962   0.648   2.629
  230    HE1  HIS  32           HE1      HIS  32  11.041   4.178   2.186
  231    H    ARG  33           H        ARG  33   9.220  -1.955   0.836
  232    HA   ARG  33           HA       ARG  33   6.856  -0.788  -0.496
  233   1HB   ARG  33          1HB       ARG  33   6.874  -3.415   0.919
  234   2HB   ARG  33          2HB       ARG  33   5.983  -2.914  -0.492
  235   1HG   ARG  33          1HG       ARG  33   8.983  -3.529  -0.550
  236   2HG   ARG  33          2HG       ARG  33   7.722  -4.650  -0.971
  237   1HD   ARG  33          1HD       ARG  33   7.030  -3.426  -2.866
  238   2HD   ARG  33          2HD       ARG  33   7.811  -1.950  -2.338
  239    HE   ARG  33           HE       ARG  33   9.177  -4.414  -3.357
  240   1HH1  ARG  33          1HH1      ARG  33   9.312  -0.861  -2.875
  241   2HH1  ARG  33          2HH1      ARG  33  10.753  -0.695  -3.835
  242   1HH2  ARG  33          1HH2      ARG  33  11.092  -4.130  -4.537
  243   2HH2  ARG  33          2HH2      ARG  33  11.789  -2.540  -4.721
  244    H    PHE  34           H        PHE  34   4.824  -1.084   0.773
  245    HA   PHE  34           HA       PHE  34   4.984   0.510   3.121
  246   1HB   PHE  34          1HB       PHE  34   2.936   0.768   2.230
  247   2HB   PHE  34          2HB       PHE  34   2.844  -0.847   1.614
  248    HD1  PHE  34           HD1      PHE  34   2.580   1.158   4.767
  249    HD2  PHE  34           HD2      PHE  34   1.699  -2.600   2.841
  250    HE1  PHE  34           HE1      PHE  34   1.239   0.465   6.729
  251    HE2  PHE  34           HE2      PHE  34   0.427  -3.318   4.842
  252    HZ   PHE  34           HZ       PHE  34   0.176  -1.782   6.779
  253    H    ALA  35           H        ALA  35   4.743  -3.039   2.791
  254    HA   ALA  35           HA       ALA  35   4.432  -3.656   5.535
  255   1HB   ALA  35          1HB       ALA  35   4.124  -5.290   3.725
  256   2HB   ALA  35          2HB       ALA  35   5.858  -5.217   3.340
  257   3HB   ALA  35          3HB       ALA  35   5.319  -5.872   4.902
  258    H    GLN  36           H        GLN  36   7.351  -3.172   3.577
  259    HA   GLN  36           HA       GLN  36   9.266  -3.717   5.641
  260   1HB   GLN  36          1HB       GLN  36   9.379  -2.283   2.972
  261   2HB   GLN  36          2HB       GLN  36  10.812  -2.704   3.890
  262   1HG   GLN  36          1HG       GLN  36   8.866  -4.952   3.295
  263   2HG   GLN  36          2HG       GLN  36   9.699  -4.228   1.934
  264   1HE2  GLN  36          2HE2      GLN  36  10.332  -5.563   5.236
  265   2HE2  GLN  36          1HE2      GLN  36  11.877  -6.277   4.826
  266    H    CYS  37           H        CYS  37   7.543  -0.817   4.629
  267    HA   CYS  37           HA       CYS  37   9.335   1.145   5.369
  268   1HB   CYS  37          1HB       CYS  37   7.162   1.363   4.107
  269   2HB   CYS  37          2HB       CYS  37   6.314   1.319   5.625
  270    HA   PRO  38           HA       PRO  38   9.081   0.997   9.908
  271   1HB   PRO  38          1HB       PRO  38  10.318   3.351  10.534
  272   2HB   PRO  38          2HB       PRO  38  11.185   1.940   9.866
  273   1HG   PRO  38          1HG       PRO  38  10.197   4.340   8.326
  274   2HG   PRO  38          2HG       PRO  38  11.829   3.614   8.303
  275   1HD   PRO  38          1HD       PRO  38   9.968   3.000   6.435
  276   2HD   PRO  38          2HD       PRO  38  11.078   1.744   7.055
  277    H    LYS  39           H        LYS  39   8.067   3.715   7.920
  278    HA   LYS  39           HA       LYS  39   6.200   4.846   9.898
  279   1HB   LYS  39          1HB       LYS  39   6.889   5.500   7.001
  280   2HB   LYS  39          2HB       LYS  39   5.633   6.309   7.928
  281   1HG   LYS  39          1HG       LYS  39   7.264   7.090   9.583
  282   2HG   LYS  39          2HG       LYS  39   8.551   6.181   8.790
  283   1HD   LYS  39          1HD       LYS  39   8.648   8.574   8.217
  284   2HD   LYS  39          2HD       LYS  39   8.436   7.544   6.798
  285   1HE   LYS  39          1HE       LYS  39   7.060   9.608   6.710
  286   2HE   LYS  39          2HE       LYS  39   6.079   8.144   6.622
  287   1HZ   LYS  39          1HZ       LYS  39   6.515   9.769   9.035
  288   2HZ   LYS  39          2HZ       LYS  39   5.154   9.765   8.106
  289   3HZ   LYS  39          3HZ       LYS  39   5.579   8.414   8.945
  Start of MODEL    5
    1   1H    LEU   1          1H        LEU   1  -8.828   1.892   8.988
    2   2H    LEU   1          2H        LEU   1  -7.342   2.061   8.220
    3   3H    LEU   1          3H        LEU   1  -8.510   3.261   8.063
    4    HA   LEU   1           HA       LEU   1  -8.676   0.505   7.075
    5   1HB   LEU   1          1HB       LEU   1 -10.859   1.325   7.783
    6   2HB   LEU   1          2HB       LEU   1 -10.640   2.817   6.864
    7    HG   LEU   1           HG       LEU   1 -10.665   1.523   4.739
    8   1HD1  LEU   1          1HD2      LEU   1 -11.185  -0.869   6.559
    9   2HD1  LEU   1          2HD2      LEU   1 -11.417  -0.856   4.800
   10   3HD1  LEU   1          3HD2      LEU   1  -9.796  -0.642   5.471
   11   1HD2  LEU   1          1HD1      LEU   1 -12.748   2.462   5.649
   12   2HD2  LEU   1          2HD1      LEU   1 -13.054   0.937   4.799
   13   3HD2  LEU   1          3HD1      LEU   1 -13.030   0.971   6.574
   14    H    THR   2           H        THR   2  -6.904   0.494   5.684
   15    HA   THR   2           HA       THR   2  -7.221   2.101   3.314
   16    HB   THR   2           HB       THR   2  -5.854   3.628   4.711
   17    HG1  THR   2           HG1      THR   2  -4.172   3.834   3.175
   18   1HG2  THR   2          1HG2      THR   2  -3.739   1.423   4.687
   19   2HG2  THR   2          2HG2      THR   2  -3.569   3.059   5.350
   20   3HG2  THR   2          3HG2      THR   2  -4.684   1.912   6.111
   21    H    CYS   3           H        CYS   3  -6.350   1.307   1.525
   22    HA   CYS   3           HA       CYS   3  -6.024  -1.486   1.440
   23   1HB   CYS   3          1HB       CYS   3  -7.030  -0.078  -0.315
   24   2HB   CYS   3          2HB       CYS   3  -5.468   0.586  -0.705
   25    H    PHE   4           H        PHE   4  -4.261  -2.705   1.704
   26    HA   PHE   4           HA       PHE   4  -1.585  -1.533   1.872
   27   1HB   PHE   4          1HB       PHE   4  -2.481  -4.396   2.316
   28   2HB   PHE   4          2HB       PHE   4  -1.054  -3.600   2.951
   29    HD1  PHE   4           HD1      PHE   4  -4.110  -4.883   3.921
   30    HD2  PHE   4           HD2      PHE   4  -1.790  -1.274   4.348
   31    HE1  PHE   4           HE1      PHE   4  -5.326  -4.335   6.005
   32    HE2  PHE   4           HE2      PHE   4  -3.027  -0.720   6.413
   33    HZ   PHE   4           HZ       PHE   4  -4.805  -2.247   7.246
   34    H    ASN   5           H        ASN   5  -2.857  -1.699  -0.783
   35    HA   ASN   5           HA       ASN   5  -0.897  -3.428  -2.207
   36   1HB   ASN   5          1HB       ASN   5  -2.766  -4.854  -2.078
   37   2HB   ASN   5          2HB       ASN   5  -3.921  -3.565  -2.376
   38   1HD2  ASN   5          2HD2      ASN   5  -4.459  -2.976  -4.493
   39   2HD2  ASN   5          1HD2      ASN   5  -3.861  -3.835  -5.884
   40    H    CYS   6           H        CYS   6  -3.730  -1.338  -3.116
   41    HA   CYS   6           HA       CYS   6  -2.070   0.012  -5.079
   42   1HB   CYS   6          1HB       CYS   6  -4.018   0.875  -5.917
   43   2HB   CYS   6          2HB       CYS   6  -4.354  -0.814  -5.600
   44    H    GLY   7           H        GLY   7  -3.225   0.518  -1.809
   45   1HA   GLY   7          1HA       GLY   7  -2.295   2.038  -0.358
   46   2HA   GLY   7          2HA       GLY   7  -1.763   3.058  -1.689
   47    H    LYS   8           H        LYS   8  -5.152   2.320  -2.147
   48    HA   LYS   8           HA       LYS   8  -5.717   5.030  -1.627
   49   1HB   LYS   8          1HB       LYS   8  -6.522   3.330  -3.541
   50   2HB   LYS   8          2HB       LYS   8  -7.664   2.831  -2.293
   51   1HG   LYS   8          1HG       LYS   8  -8.272   5.140  -1.978
   52   2HG   LYS   8          2HG       LYS   8  -7.198   5.632  -3.313
   53   1HD   LYS   8          1HD       LYS   8  -8.578   4.235  -4.887
   54   2HD   LYS   8          2HD       LYS   8  -9.638   3.792  -3.536
   55   1HE   LYS   8          1HE       LYS   8 -10.705   5.537  -4.826
   56   2HE   LYS   8          2HE       LYS   8 -10.278   6.161  -3.224
   57   1HZ   LYS   8          1HZ       LYS   8  -8.753   6.605  -5.700
   58   2HZ   LYS   8          2HZ       LYS   8  -9.753   7.694  -4.976
   59   3HZ   LYS   8          3HZ       LYS   8  -8.376   7.215  -4.215
   60    HA   PRO   9           HA       PRO   9  -7.442   3.988   2.441
   61   1HB   PRO   9          1HB       PRO   9  -8.607   6.373   3.121
   62   2HB   PRO   9          2HB       PRO   9  -6.854   6.068   3.174
   63   1HG   PRO   9          1HG       PRO   9  -8.463   7.387   0.964
   64   2HG   PRO   9          2HG       PRO   9  -6.942   7.977   1.696
   65   1HD   PRO   9          1HD       PRO   9  -7.011   6.602  -0.658
   66   2HD   PRO   9          2HD       PRO   9  -5.659   6.383   0.488
   67    H    GLY  10           H        GLY  10  -9.592   3.821   3.397
   68   1HA   GLY  10          1HA       GLY  10 -11.941   3.952   3.371
   69   2HA   GLY  10          2HA       GLY  10 -11.947   4.320   1.646
   70    H    HIS  11           H        HIS  11  -9.807   1.788   1.879
   71    HA   HIS  11           HA       HIS  11 -11.686  -0.394   2.294
   72   1HB   HIS  11          1HB       HIS  11 -11.440  -1.462   0.155
   73   2HB   HIS  11          2HB       HIS  11 -12.180   0.012  -0.049
   74    HD1  HIS  11           HD1      HIS  11 -10.760   1.897  -1.506
   75    HD2  HIS  11           HD2      HIS  11  -9.266  -1.916  -1.129
   76    HE1  HIS  11           HE1      HIS  11  -9.020   1.552  -3.341
   77    H    THR  12           H        THR  12 -10.363  -2.326   1.296
   78    HA   THR  12           HA       THR  12  -7.689  -2.365   2.669
   79    HB   THR  12           HB       THR  12  -9.747  -4.595   2.948
   80    HG1  THR  12           HG1      THR  12 -10.169  -3.674   4.999
   81   1HG2  THR  12          1HG2      THR  12  -8.399  -5.154   4.959
   82   2HG2  THR  12          2HG2      THR  12  -7.385  -5.194   3.511
   83   3HG2  THR  12          3HG2      THR  12  -7.310  -3.799   4.607
   84    H    ALA  13           H        ALA  13  -6.196  -3.929   1.905
   85    HA   ALA  13           HA       ALA  13  -6.262  -4.461  -0.864
   86   1HB   ALA  13          1HB       ALA  13  -4.635  -5.761   1.366
   87   2HB   ALA  13          2HB       ALA  13  -4.298  -5.948  -0.368
   88   3HB   ALA  13          3HB       ALA  13  -4.161  -4.352   0.387
   89    H    ARG  14           H        ARG  14  -7.473  -6.318   1.811
   90    HA   ARG  14           HA       ARG  14  -7.747  -8.869   0.658
   91   1HB   ARG  14          1HB       ARG  14  -8.144  -8.075   3.040
   92   2HB   ARG  14          2HB       ARG  14  -9.662  -7.379   2.524
   93   1HG   ARG  14          1HG       ARG  14 -10.479  -9.630   1.823
   94   2HG   ARG  14          2HG       ARG  14  -8.919 -10.339   2.295
   95   1HD   ARG  14          1HD       ARG  14  -9.298  -9.626   4.631
   96   2HD   ARG  14          2HD       ARG  14 -10.855  -8.904   4.163
   97    HE   ARG  14           HE       ARG  14 -10.864 -11.597   3.316
   98   1HH1  ARG  14          1HH1      ARG  14 -10.822  -9.784   6.368
   99   2HH1  ARG  14          2HH1      ARG  14 -11.643 -11.034   7.268
  100   1HH2  ARG  14          1HH2      ARG  14 -11.939 -13.229   4.508
  101   2HH2  ARG  14          2HH2      ARG  14 -12.280 -13.002   6.204
  102    H    MET  15           H        MET  15  -9.756  -6.008   0.562
  103    HA   MET  15           HA       MET  15 -11.909  -7.186  -1.043
  104   1HB   MET  15          1HB       MET  15 -11.285  -4.347  -0.084
  105   2HB   MET  15          2HB       MET  15 -12.684  -4.814  -1.028
  106   1HG   MET  15          1HG       MET  15 -13.236  -6.500   0.803
  107   2HG   MET  15          2HG       MET  15 -11.919  -5.805   1.753
  108   1HE   MET  15          1HE       MET  15 -13.496  -5.430   3.801
  109   2HE   MET  15          2HE       MET  15 -15.070  -4.607   3.704
  110   3HE   MET  15          3HE       MET  15 -14.832  -6.166   2.881
  111    H    CYS  16           H        CYS  16  -9.139  -5.083  -1.471
  112    HA   CYS  16           HA       CYS  16  -9.724  -3.981  -3.958
  113   1HB   CYS  16          1HB       CYS  16  -7.952  -3.307  -2.330
  114   2HB   CYS  16          2HB       CYS  16  -6.924  -4.579  -2.993
  115    H    ARG  17           H        ARG  17  -9.916  -4.838  -5.911
  116    HA   ARG  17           HA       ARG  17  -8.742  -7.432  -6.672
  117   1HB   ARG  17          1HB       ARG  17 -11.092  -6.816  -7.171
  118   2HB   ARG  17          2HB       ARG  17 -10.528  -5.483  -8.191
  119   1HG   ARG  17          1HG       ARG  17  -9.433  -7.061  -9.718
  120   2HG   ARG  17          2HG       ARG  17  -9.816  -8.415  -8.635
  121   1HD   ARG  17          1HD       ARG  17 -12.259  -7.976  -9.004
  122   2HD   ARG  17          2HD       ARG  17 -11.835  -6.625 -10.060
  123    HE   ARG  17           HE       ARG  17 -11.364  -8.051 -11.771
  124   1HH1  ARG  17          1HH1      ARG  17 -11.494  -9.973  -8.784
  125   2HH1  ARG  17          2HH1      ARG  17 -11.417 -11.502  -9.620
  126   1HH2  ARG  17          1HH2      ARG  17 -11.254 -10.061 -12.846
  127   2HH2  ARG  17          2HH2      ARG  17 -11.274 -11.550 -11.939
  128    H    GLN  18           H        GLN  18  -8.227  -4.000  -7.078
  129    HA   GLN  18           HA       GLN  18  -6.968  -3.751  -9.503
  130   1HB   GLN  18          1HB       GLN  18  -6.153  -2.235  -7.012
  131   2HB   GLN  18          2HB       GLN  18  -6.064  -1.699  -8.677
  132   1HG   GLN  18          1HG       GLN  18  -8.482  -1.557  -8.836
  133   2HG   GLN  18          2HG       GLN  18  -8.672  -2.192  -7.190
  134   1HE2  GLN  18          2HE2      GLN  18  -7.114   0.530  -8.961
  135   2HE2  GLN  18          1HE2      GLN  18  -7.292   1.677  -7.651
  136    HA   PRO  19           HA       PRO  19  -2.801  -5.434  -9.007
  137   1HB   PRO  19          1HB       PRO  19  -1.998  -2.870 -10.409
  138   2HB   PRO  19          2HB       PRO  19  -1.474  -4.538 -10.774
  139   1HG   PRO  19          1HG       PRO  19  -3.363  -3.301 -12.298
  140   2HG   PRO  19          2HG       PRO  19  -3.547  -5.019 -11.839
  141   1HD   PRO  19          1HD       PRO  19  -4.982  -2.632 -10.640
  142   2HD   PRO  19          2HD       PRO  19  -5.530  -4.292 -10.986
  143    H    ARG  20           H        ARG  20  -0.630  -4.731  -8.039
  144    HA   ARG  20           HA       ARG  20  -0.984  -3.019  -5.738
  145   1HB   ARG  20          1HB       ARG  20   1.284  -3.575  -5.184
  146   2HB   ARG  20          2HB       ARG  20   0.508  -5.033  -5.814
  147   1HG   ARG  20          1HG       ARG  20   1.481  -4.509  -8.048
  148   2HG   ARG  20          2HG       ARG  20   2.374  -3.166  -7.383
  149   1HD   ARG  20          1HD       ARG  20   2.682  -5.977  -6.275
  150   2HD   ARG  20          2HD       ARG  20   3.652  -5.387  -7.620
  151    HE   ARG  20           HE       ARG  20   3.840  -4.616  -4.802
  152   1HH1  ARG  20          1HH2      ARG  20   4.709  -3.668  -8.133
  153   2HH1  ARG  20          2HH2      ARG  20   5.911  -2.517  -7.595
  154   1HH2  ARG  20          1HH1      ARG  20   5.458  -3.104  -4.168
  155   2HH2  ARG  20          2HH1      ARG  20   6.339  -2.219  -5.395
  156    H    GLN  21           H        GLN  21   0.885  -1.485  -5.300
  157    HA   GLN  21           HA       GLN  21   0.936   0.637  -7.340
  158   1HB   GLN  21          1HB       GLN  21   0.169   0.966  -4.941
  159   2HB   GLN  21          2HB       GLN  21   1.820   0.668  -4.409
  160   1HG   GLN  21          1HG       GLN  21   1.274   3.116  -4.582
  161   2HG   GLN  21          2HG       GLN  21   2.636   2.638  -5.590
  162   1HE2  GLN  21          2HE2      GLN  21  -0.961   3.043  -5.668
  163   2HE2  GLN  21          1HE2      GLN  21  -1.019   3.675  -7.303
  164    H    GLU  22           H        GLU  22   3.025   1.719  -7.683
  165    HA   GLU  22           HA       GLU  22   4.949   0.030  -8.676
  166   1HB   GLU  22          1HB       GLU  22   5.222   2.918  -7.747
  167   2HB   GLU  22          2HB       GLU  22   6.406   2.042  -8.728
  168   1HG   GLU  22          1HG       GLU  22   4.665   1.646 -10.472
  169   2HG   GLU  22          2HG       GLU  22   3.527   2.630  -9.537
  170    H    GLY  23           H        GLY  23   5.189   1.786  -5.595
  171   1HA   GLY  23          1HA       GLY  23   6.901  -0.353  -4.444
  172   2HA   GLY  23          2HA       GLY  23   7.574   1.278  -4.534
  173    H    CYS  24           H        CYS  24   7.411   2.243  -2.586
  174    HA   CYS  24           HA       CYS  24   5.448   1.444  -0.613
  175   1HB   CYS  24          1HB       CYS  24   7.884   2.216  -0.179
  176   2HB   CYS  24          2HB       CYS  24   7.280   3.837  -0.396
  177    H    TRP  25           H        TRP  25   3.426   1.996  -1.107
  178    HA   TRP  25           HA       TRP  25   2.626   4.423  -2.438
  179   1HB   TRP  25          1HB       TRP  25   0.386   3.593  -1.981
  180   2HB   TRP  25          2HB       TRP  25   1.422   2.338  -2.579
  181    HD1  TRP  25           HD1      TRP  25   1.336   0.167  -1.516
  182    HE1  TRP  25           HE1      TRP  25   0.450  -0.818   0.752
  183    HE3  TRP  25           HE3      TRP  25  -0.236   4.432   0.569
  184    HZ2  TRP  25           HZ2      TRP  25  -0.694   0.234   3.178
  185    HZ3  TRP  25           HZ3      TRP  25  -1.091   4.510   2.940
  186    HH2  TRP  25           HH2      TRP  25  -1.370   2.389   4.215
  187    H    ASN  26           H        ASN  26   3.207   3.476   0.875
  188    HA   ASN  26           HA       ASN  26   1.529   5.450   2.156
  189   1HB   ASN  26          1HB       ASN  26   1.750   3.692   3.546
  190   2HB   ASN  26          2HB       ASN  26   3.243   3.155   2.832
  191   1HD2  ASN  26          2HD2      ASN  26   5.099   3.276   4.034
  192   2HD2  ASN  26          1HD2      ASN  26   5.285   4.354   5.381
  193    H    CYS  27           H        CYS  27   5.055   5.012   1.850
  194    HA   CYS  27           HA       CYS  27   5.452   7.795   2.751
  195   1HB   CYS  27          1HB       CYS  27   7.249   7.143   3.764
  196   2HB   CYS  27          2HB       CYS  27   6.577   5.563   3.665
  197    H    GLY  28           H        GLY  28   5.434   6.024  -0.214
  198   1HA   GLY  28          1HA       GLY  28   5.383   7.137  -2.257
  199   2HA   GLY  28          2HA       GLY  28   6.289   8.493  -1.605
  200    H    SER  29           H        SER  29   7.954   5.681  -0.675
  201    HA   SER  29           HA       SER  29  10.097   6.158  -2.469
  202   1HB   SER  29          1HB       SER  29  10.082   5.062  -0.090
  203   2HB   SER  29          2HB       SER  29   9.706   3.566  -0.924
  204    HG   SER  29           HG       SER  29  11.990   3.990  -0.668
  205    H    LYS  30           H        LYS  30  10.980   4.694  -3.979
  206    HA   LYS  30           HA       LYS  30   9.152   2.805  -5.309
  207   1HB   LYS  30          1HB       LYS  30  10.586   5.112  -6.257
  208   2HB   LYS  30          2HB       LYS  30  11.460   3.703  -6.858
  209   1HG   LYS  30          1HG       LYS  30   9.261   2.767  -7.620
  210   2HG   LYS  30          2HG       LYS  30   8.462   4.221  -6.965
  211   1HD   LYS  30          1HD       LYS  30   9.654   5.633  -8.615
  212   2HD   LYS  30          2HD       LYS  30  10.440   4.183  -9.294
  213   1HE   LYS  30          1HE       LYS  30   8.223   3.208  -9.809
  214   2HE   LYS  30          2HE       LYS  30   7.422   4.610  -9.067
  215   1HZ   LYS  30          1HZ       LYS  30   9.100   4.682 -11.471
  216   2HZ   LYS  30          2HZ       LYS  30   7.448   4.716 -11.408
  217   3HZ   LYS  30          3HZ       LYS  30   8.323   5.972 -10.784
  218    H    GLU  31           H        GLU  31  12.129   3.121  -3.469
  219    HA   GLU  31           HA       GLU  31  13.619   1.037  -4.540
  220   1HB   GLU  31          1HB       GLU  31  13.501   2.436  -1.808
  221   2HB   GLU  31          2HB       GLU  31  14.825   1.540  -2.505
  222   1HG   GLU  31          1HG       GLU  31  13.779   4.236  -3.409
  223   2HG   GLU  31          2HG       GLU  31  15.355   3.857  -2.724
  224    H    HIS  32           H        HIS  32  11.377   1.373  -1.831
  225    HA   HIS  32           HA       HIS  32  11.173  -1.599  -1.506
  226   1HB   HIS  32          1HB       HIS  32  11.068  -1.321   0.877
  227   2HB   HIS  32          2HB       HIS  32  12.545  -0.609   0.297
  228    HD1  HIS  32           HD1      HIS  32  12.708   2.076   0.442
  229    HD2  HIS  32           HD2      HIS  32   9.173   0.480   1.943
  230    HE1  HIS  32           HE1      HIS  32  11.411   3.926   1.564
  231    H    ARG  33           H        ARG  33   9.221  -1.952   0.053
  232    HA   ARG  33           HA       ARG  33   6.853  -0.661  -1.170
  233   1HB   ARG  33          1HB       ARG  33   7.090  -3.383   0.137
  234   2HB   ARG  33          2HB       ARG  33   5.810  -2.777  -0.886
  235   1HG   ARG  33          1HG       ARG  33   7.313  -2.779  -2.849
  236   2HG   ARG  33          2HG       ARG  33   8.642  -3.396  -1.852
  237   1HD   ARG  33          1HD       ARG  33   5.999  -4.829  -2.293
  238   2HD   ARG  33          2HD       ARG  33   7.532  -5.205  -3.110
  239    HE   ARG  33           HE       ARG  33   8.114  -5.285  -0.390
  240   1HH1  ARG  33          1HH1      ARG  33   5.982  -7.063  -2.602
  241   2HH1  ARG  33          2HH1      ARG  33   5.978  -8.510  -1.629
  242   1HH2  ARG  33          1HH2      ARG  33   8.087  -7.184   0.885
  243   2HH2  ARG  33          2HH2      ARG  33   7.189  -8.582   0.354
  244    H    PHE  34           H        PHE  34   4.910  -0.614   0.192
  245    HA   PHE  34           HA       PHE  34   5.254   0.536   2.755
  246   1HB   PHE  34          1HB       PHE  34   3.234   1.041   1.803
  247   2HB   PHE  34          2HB       PHE  34   2.948  -0.572   1.223
  248    HD1  PHE  34           HD1      PHE  34   3.103   1.458   4.382
  249    HD2  PHE  34           HD2      PHE  34   1.694  -2.172   2.528
  250    HE1  PHE  34           HE1      PHE  34   1.762   0.955   6.392
  251    HE2  PHE  34           HE2      PHE  34   0.458  -2.733   4.603
  252    HZ   PHE  34           HZ       PHE  34   0.436  -1.146   6.511
  253    H    ALA  35           H        ALA  35   4.765  -2.886   1.857
  254    HA   ALA  35           HA       ALA  35   4.481  -3.988   4.417
  255   1HB   ALA  35          1HB       ALA  35   4.161  -5.243   2.319
  256   2HB   ALA  35          2HB       ALA  35   5.902  -5.135   1.976
  257   3HB   ALA  35          3HB       ALA  35   5.326  -6.066   3.376
  258    H    GLN  36           H        GLN  36   7.446  -3.125   2.655
  259    HA   GLN  36           HA       GLN  36   9.290  -4.134   4.626
  260   1HB   GLN  36          1HB       GLN  36   9.640  -2.097   2.395
  261   2HB   GLN  36          2HB       GLN  36  10.930  -2.942   3.208
  262   1HG   GLN  36          1HG       GLN  36   8.785  -4.132   1.387
  263   2HG   GLN  36          2HG       GLN  36  10.486  -3.938   1.018
  264   1HE2  GLN  36          2HE2      GLN  36  11.889  -5.003   3.052
  265   2HE2  GLN  36          1HE2      GLN  36  11.428  -6.664   3.355
  266    H    CYS  37           H        CYS  37   7.823  -1.008   3.869
  267    HA   CYS  37           HA       CYS  37   9.562   0.612   5.388
  268   1HB   CYS  37          1HB       CYS  37   8.012   1.272   3.524
  269   2HB   CYS  37          2HB       CYS  37   6.678   1.122   4.540
  270    HA   PRO  38           HA       PRO  38   7.886  -0.127   9.524
  271   1HB   PRO  38          1HB       PRO  38   8.701   2.149  10.822
  272   2HB   PRO  38          2HB       PRO  38   9.807   0.841  10.321
  273   1HG   PRO  38          1HG       PRO  38   9.268   3.411   8.835
  274   2HG   PRO  38          2HG       PRO  38  10.851   2.705   9.272
  275   1HD   PRO  38          1HD       PRO  38   9.776   2.322   6.833
  276   2HD   PRO  38          2HD       PRO  38  10.627   0.980   7.637
  277    H    LYS  39           H        LYS  39   7.364   2.861   7.748
  278    HA   LYS  39           HA       LYS  39   4.881   3.548   9.171
  279   1HB   LYS  39          1HB       LYS  39   6.513   4.760   6.917
  280   2HB   LYS  39          2HB       LYS  39   4.862   5.273   7.130
  281   1HG   LYS  39          1HG       LYS  39   7.013   5.442   9.261
  282   2HG   LYS  39          2HG       LYS  39   6.413   6.767   8.262
  283   1HD   LYS  39          1HD       LYS  39   4.917   5.314  10.487
  284   2HD   LYS  39          2HD       LYS  39   5.432   6.986  10.391
  285   1HE   LYS  39          1HE       LYS  39   3.174   7.179   9.974
  286   2HE   LYS  39          2HE       LYS  39   3.840   7.194   8.336
  287   1HZ   LYS  39          1HZ       LYS  39   2.639   4.891   9.733
  288   2HZ   LYS  39          2HZ       LYS  39   1.929   5.778   8.545
  289   3HZ   LYS  39          3HZ       LYS  39   3.222   4.829   8.201
  Start of MODEL    6
    1   1H    LEU   1          1H        LEU   1  -8.471   2.060   8.880
    2   2H    LEU   1          2H        LEU   1  -7.003   2.168   8.067
    3   3H    LEU   1          3H        LEU   1  -8.146   3.392   7.907
    4    HA   LEU   1           HA       LEU   1  -8.408   0.613   7.006
    5   1HB   LEU   1          1HB       LEU   1 -10.551   1.483   7.737
    6   2HB   LEU   1          2HB       LEU   1 -10.322   2.967   6.807
    7    HG   LEU   1           HG       LEU   1 -10.453   1.701   4.691
    8   1HD1  LEU   1          1HD1      LEU   1 -10.870  -0.724   6.494
    9   2HD1  LEU   1          2HD1      LEU   1 -11.191  -0.689   4.748
   10   3HD1  LEU   1          3HD1      LEU   1  -9.540  -0.463   5.340
   11   1HD2  LEU   1          1HD2      LEU   1 -12.504   2.610   5.706
   12   2HD2  LEU   1          2HD2      LEU   1 -12.831   1.108   4.823
   13   3HD2  LEU   1          3HD2      LEU   1 -12.745   1.091   6.597
   14    H    THR   2           H        THR   2  -6.718   0.485   5.531
   15    HA   THR   2           HA       THR   2  -7.058   2.047   3.140
   16    HB   THR   2           HB       THR   2  -5.605   3.571   4.453
   17    HG1  THR   2           HG1      THR   2  -3.971   3.700   2.863
   18   1HG2  THR   2          1HG2      THR   2  -3.552   1.312   4.415
   19   2HG2  THR   2          2HG2      THR   2  -3.320   2.956   5.037
   20   3HG2  THR   2          3HG2      THR   2  -4.439   1.854   5.857
   21    H    CYS   3           H        CYS   3  -6.206   1.222   1.349
   22    HA   CYS   3           HA       CYS   3  -6.038  -1.577   1.284
   23   1HB   CYS   3          1HB       CYS   3  -7.018  -0.097  -0.424
   24   2HB   CYS   3          2HB       CYS   3  -5.419   0.441  -0.896
   25    H    PHE   4           H        PHE   4  -4.209  -2.811   1.812
   26    HA   PHE   4           HA       PHE   4  -1.551  -1.833   1.690
   27   1HB   PHE   4          1HB       PHE   4  -2.830  -4.551   2.219
   28   2HB   PHE   4          2HB       PHE   4  -1.283  -3.963   2.757
   29    HD1  PHE   4           HD1      PHE   4  -4.263  -4.862   4.059
   30    HD2  PHE   4           HD2      PHE   4  -1.708  -1.384   3.990
   31    HE1  PHE   4           HE1      PHE   4  -5.273  -4.064   6.174
   32    HE2  PHE   4           HE2      PHE   4  -2.702  -0.613   6.115
   33    HZ   PHE   4           HZ       PHE   4  -4.497  -1.942   7.207
   34    H    ASN   5           H        ASN   5  -3.029  -2.039  -0.901
   35    HA   ASN   5           HA       ASN   5  -1.212  -3.873  -2.387
   36   1HB   ASN   5          1HB       ASN   5  -3.125  -5.189  -2.298
   37   2HB   ASN   5          2HB       ASN   5  -4.234  -3.831  -2.434
   38   1HD2  ASN   5          2HD2      ASN   5  -4.962  -3.183  -4.467
   39   2HD2  ASN   5          1HD2      ASN   5  -4.359  -3.860  -5.961
   40    H    CYS   6           H        CYS   6  -3.870  -1.508  -3.168
   41    HA   CYS   6           HA       CYS   6  -2.144  -0.287  -5.170
   42   1HB   CYS   6          1HB       CYS   6  -4.050   0.617  -6.048
   43   2HB   CYS   6          2HB       CYS   6  -4.476  -1.038  -5.673
   44    H    GLY   7           H        GLY   7  -3.202   0.334  -1.888
   45   1HA   GLY   7          1HA       GLY   7  -2.270   1.912  -0.504
   46   2HA   GLY   7          2HA       GLY   7  -1.646   2.806  -1.886
   47    H    LYS   8           H        LYS   8  -5.090   2.225  -2.271
   48    HA   LYS   8           HA       LYS   8  -5.578   5.020  -1.810
   49   1HB   LYS   8          1HB       LYS   8  -6.870   2.606  -3.067
   50   2HB   LYS   8          2HB       LYS   8  -7.843   3.941  -2.578
   51   1HG   LYS   8          1HG       LYS   8  -6.593   5.495  -4.024
   52   2HG   LYS   8          2HG       LYS   8  -5.382   4.244  -4.345
   53   1HD   LYS   8          1HD       LYS   8  -6.808   4.458  -6.276
   54   2HD   LYS   8          2HD       LYS   8  -7.067   2.880  -5.526
   55   1HE   LYS   8          1HE       LYS   8  -9.150   3.803  -4.427
   56   2HE   LYS   8          2HE       LYS   8  -8.878   5.327  -5.287
   57   1HZ   LYS   8          1HZ       LYS   8  -9.304   2.691  -6.517
   58   2HZ   LYS   8          2HZ       LYS   8 -10.426   3.894  -6.401
   59   3HZ   LYS   8          3HZ       LYS   8  -9.087   4.110  -7.336
   60    HA   PRO   9           HA       PRO   9  -7.274   3.921   2.222
   61   1HB   PRO   9          1HB       PRO   9  -8.383   6.290   2.983
   62   2HB   PRO   9          2HB       PRO   9  -6.622   6.036   2.870
   63   1HG   PRO   9          1HG       PRO   9  -8.462   7.257   0.784
   64   2HG   PRO   9          2HG       PRO   9  -6.932   7.939   1.410
   65   1HD   PRO   9          1HD       PRO   9  -7.064   6.509  -0.917
   66   2HD   PRO   9          2HD       PRO   9  -5.643   6.389   0.168
   67    H    GLY  10           H        GLY  10  -9.401   3.905   3.326
   68   1HA   GLY  10          1HA       GLY  10 -11.719   4.008   3.441
   69   2HA   GLY  10          2HA       GLY  10 -11.824   4.457   1.737
   70    H    HIS  11           H        HIS  11  -9.746   1.781   1.951
   71    HA   HIS  11           HA       HIS  11 -11.701  -0.297   2.318
   72   1HB   HIS  11          1HB       HIS  11 -11.661  -1.272   0.152
   73   2HB   HIS  11          2HB       HIS  11 -12.268   0.354   0.001
   74    HD1  HIS  11           HD1      HIS  11 -10.741   2.050  -1.413
   75    HD2  HIS  11           HD2      HIS  11  -9.304  -1.857  -1.202
   76    HE1  HIS  11           HE1      HIS  11  -9.013   1.736  -3.227
   77    H    THR  12           H        THR  12 -10.558  -2.396   1.499
   78    HA   THR  12           HA       THR  12  -7.749  -2.371   2.555
   79    HB   THR  12           HB       THR  12  -9.834  -4.550   3.026
   80    HG1  THR  12           HG1      THR  12  -9.054  -2.442   4.744
   81   1HG2  THR  12          1HG2      THR  12  -8.305  -5.161   4.904
   82   2HG2  THR  12          2HG2      THR  12  -7.501  -5.320   3.340
   83   3HG2  THR  12          3HG2      THR  12  -7.165  -3.911   4.369
   84    H    ALA  13           H        ALA  13  -6.369  -4.030   1.745
   85    HA   ALA  13           HA       ALA  13  -6.602  -4.422  -1.024
   86   1HB   ALA  13          1HB       ALA  13  -4.945  -5.926   1.067
   87   2HB   ALA  13          2HB       ALA  13  -4.663  -6.012  -0.684
   88   3HB   ALA  13          3HB       ALA  13  -4.438  -4.472   0.176
   89    H    ARG  14           H        ARG  14  -7.812  -6.324   1.583
   90    HA   ARG  14           HA       ARG  14  -8.232  -8.794   0.273
   91   1HB   ARG  14          1HB       ARG  14  -8.486  -8.181   2.739
   92   2HB   ARG  14          2HB       ARG  14  -9.979  -7.373   2.349
   93   1HG   ARG  14          1HG       ARG  14 -10.459  -9.568   3.262
   94   2HG   ARG  14          2HG       ARG  14 -10.983  -9.516   1.574
   95   1HD   ARG  14          1HD       ARG  14  -9.006 -10.786   0.878
   96   2HD   ARG  14          2HD       ARG  14  -8.335 -10.697   2.525
   97    HE   ARG  14           HE       ARG  14 -10.897 -11.880   2.672
   98   1HH1  ARG  14          1HH1      ARG  14  -7.695 -12.631   1.339
   99   2HH1  ARG  14          2HH1      ARG  14  -7.900 -14.358   1.477
  100   1HH2  ARG  14          1HH2      ARG  14 -11.157 -14.149   2.849
  101   2HH2  ARG  14          2HH2      ARG  14  -9.881 -15.224   2.341
  102    H    MET  15           H        MET  15 -10.104  -5.853   0.497
  103    HA   MET  15           HA       MET  15 -12.413  -6.797  -1.017
  104   1HB   MET  15          1HB       MET  15 -11.526  -4.037  -0.038
  105   2HB   MET  15          2HB       MET  15 -13.008  -4.382  -0.901
  106   1HG   MET  15          1HG       MET  15 -13.599  -6.042   0.928
  107   2HG   MET  15          2HG       MET  15 -12.144  -5.540   1.785
  108   1HE   MET  15          1HE       MET  15 -15.727  -4.573   0.606
  109   2HE   MET  15          2HE       MET  15 -15.929  -2.926   1.244
  110   3HE   MET  15          3HE       MET  15 -14.843  -3.212  -0.129
  111    H    CYS  16           H        CYS  16  -9.538  -4.856  -1.609
  112    HA   CYS  16           HA       CYS  16 -10.291  -3.732  -4.066
  113   1HB   CYS  16          1HB       CYS  16  -8.609  -2.833  -2.737
  114   2HB   CYS  16          2HB       CYS  16  -7.596  -4.133  -2.792
  115    H    ARG  17           H        ARG  17 -10.003  -4.252  -6.097
  116    HA   ARG  17           HA       ARG  17  -8.996  -6.932  -6.938
  117   1HB   ARG  17          1HB       ARG  17 -11.370  -6.343  -7.365
  118   2HB   ARG  17          2HB       ARG  17 -10.852  -4.963  -8.344
  119   1HG   ARG  17          1HG       ARG  17  -9.764  -6.453  -9.954
  120   2HG   ARG  17          2HG       ARG  17 -10.084  -7.858  -8.915
  121   1HD   ARG  17          1HD       ARG  17 -12.546  -7.472  -9.208
  122   2HD   ARG  17          2HD       ARG  17 -12.185  -6.071 -10.221
  123    HE   ARG  17           HE       ARG  17 -11.721  -7.418 -11.997
  124   1HH1  ARG  17          1HH2      ARG  17 -11.722  -9.454  -9.083
  125   2HH1  ARG  17          2HH2      ARG  17 -11.626 -10.948  -9.980
  126   1HH2  ARG  17          1HH1      ARG  17 -11.586  -9.382 -13.151
  127   2HH2  ARG  17          2HH1      ARG  17 -11.543 -10.905 -12.301
  128    H    GLN  18           H        GLN  18  -8.550  -3.470  -7.220
  129    HA   GLN  18           HA       GLN  18  -7.390  -3.090  -9.656
  130   1HB   GLN  18          1HB       GLN  18  -6.406  -1.735  -7.134
  131   2HB   GLN  18          2HB       GLN  18  -6.385  -1.129  -8.778
  132   1HG   GLN  18          1HG       GLN  18  -8.874  -1.096  -8.788
  133   2HG   GLN  18          2HG       GLN  18  -8.864  -1.578  -7.080
  134   1HE2  GLN  18          2HE2      GLN  18  -7.260   0.895  -9.181
  135   2HE2  GLN  18          1HE2      GLN  18  -7.413   2.204  -8.035
  136    HA   PRO  19           HA       PRO  19  -3.278  -4.907  -9.677
  137   1HB   PRO  19          1HB       PRO  19  -2.508  -2.191 -10.787
  138   2HB   PRO  19          2HB       PRO  19  -1.999  -3.806 -11.358
  139   1HG   PRO  19          1HG       PRO  19  -3.974  -2.440 -12.648
  140   2HG   PRO  19          2HG       PRO  19  -4.153  -4.192 -12.333
  141   1HD   PRO  19          1HD       PRO  19  -5.459  -1.906 -10.831
  142   2HD   PRO  19          2HD       PRO  19  -6.078  -3.512 -11.288
  143    H    ARG  20           H        ARG  20  -1.171  -4.657  -8.588
  144    HA   ARG  20           HA       ARG  20  -1.414  -3.172  -6.141
  145   1HB   ARG  20          1HB       ARG  20   0.369  -4.506  -5.410
  146   2HB   ARG  20          2HB       ARG  20  -0.612  -5.556  -6.427
  147   1HG   ARG  20          1HG       ARG  20   2.054  -4.258  -7.146
  148   2HG   ARG  20          2HG       ARG  20   1.689  -5.937  -6.800
  149   1HD   ARG  20          1HD       ARG  20   0.782  -4.418  -9.255
  150   2HD   ARG  20          2HD       ARG  20   2.061  -5.630  -9.167
  151    HE   ARG  20           HE       ARG  20  -0.110  -6.967  -8.145
  152   1HH1  ARG  20          1HH2      ARG  20   0.573  -5.316 -11.214
  153   2HH1  ARG  20          2HH2      ARG  20  -0.554  -6.283 -12.129
  154   1HH2  ARG  20          1HH1      ARG  20  -1.590  -8.222  -9.356
  155   2HH2  ARG  20          2HH1      ARG  20  -1.783  -7.950 -11.068
  156    H    GLN  21           H        GLN  21   0.774  -2.293  -5.266
  157    HA   GLN  21           HA       GLN  21   1.358   0.127  -6.446
  158   1HB   GLN  21          1HB       GLN  21   2.656   0.222  -4.406
  159   2HB   GLN  21          2HB       GLN  21   1.111  -0.478  -4.067
  160   1HG   GLN  21          1HG       GLN  21   2.430  -2.801  -4.364
  161   2HG   GLN  21          2HG       GLN  21   3.856  -1.795  -4.153
  162   1HE2  GLN  21          2HE2      GLN  21   4.221  -0.822  -2.069
  163   2HE2  GLN  21          1HE2      GLN  21   3.388  -1.444  -0.649
  164    H    GLU  22           H        GLU  22   3.444   0.974  -6.999
  165    HA   GLU  22           HA       GLU  22   5.268  -0.648  -8.471
  166   1HB   GLU  22          1HB       GLU  22   4.892   2.266  -7.566
  167   2HB   GLU  22          2HB       GLU  22   6.312   1.693  -8.379
  168   1HG   GLU  22          1HG       GLU  22   4.813   0.842 -10.254
  169   2HG   GLU  22          2HG       GLU  22   3.467   1.654  -9.444
  170    H    GLY  23           H        GLY  23   5.286   1.387  -5.572
  171   1HA   GLY  23          1HA       GLY  23   7.099  -0.387  -4.093
  172   2HA   GLY  23          2HA       GLY  23   7.707   1.247  -4.439
  173    H    CYS  24           H        CYS  24   7.496   2.327  -2.522
  174    HA   CYS  24           HA       CYS  24   5.389   1.770  -0.639
  175   1HB   CYS  24          1HB       CYS  24   7.846   2.470  -0.210
  176   2HB   CYS  24          2HB       CYS  24   7.290   4.110  -0.444
  177    H    TRP  25           H        TRP  25   3.440   2.328  -1.342
  178    HA   TRP  25           HA       TRP  25   2.747   4.787  -2.694
  179   1HB   TRP  25          1HB       TRP  25   0.430   3.967  -2.212
  180   2HB   TRP  25          2HB       TRP  25   1.454   2.805  -2.985
  181    HD1  TRP  25           HD1      TRP  25   1.592   0.558  -2.003
  182    HE1  TRP  25           HE1      TRP  25   0.715  -0.650   0.156
  183    HE3  TRP  25           HE3      TRP  25  -0.171   4.571   0.371
  184    HZ2  TRP  25           HZ2      TRP  25  -0.593   0.154   2.601
  185    HZ3  TRP  25           HZ3      TRP  25  -0.849   4.441   2.788
  186    HH2  TRP  25           HH2      TRP  25  -1.219   2.212   3.847
  187    H    ASN  26           H        ASN  26   3.123   3.759   0.599
  188    HA   ASN  26           HA       ASN  26   1.440   5.704   1.892
  189   1HB   ASN  26          1HB       ASN  26   1.725   3.984   3.295
  190   2HB   ASN  26          2HB       ASN  26   3.093   3.374   2.500
  191   1HD2  ASN  26          2HD2      ASN  26   4.806   3.128   3.812
  192   2HD2  ASN  26          1HD2      ASN  26   5.227   4.156   5.135
  193    H    CYS  27           H        CYS  27   4.871   5.199   1.850
  194    HA   CYS  27           HA       CYS  27   5.354   7.981   2.694
  195   1HB   CYS  27          1HB       CYS  27   7.103   7.300   3.732
  196   2HB   CYS  27          2HB       CYS  27   6.481   5.702   3.523
  197    H    GLY  28           H        GLY  28   5.421   6.295  -0.330
  198   1HA   GLY  28          1HA       GLY  28   5.420   7.411  -2.356
  199   2HA   GLY  28          2HA       GLY  28   6.144   8.835  -1.628
  200    H    SER  29           H        SER  29   7.896   5.940  -0.845
  201    HA   SER  29           HA       SER  29  10.087   6.677  -2.669
  202   1HB   SER  29          1HB       SER  29  10.646   6.015  -0.391
  203   2HB   SER  29          2HB       SER  29   9.743   4.494  -0.600
  204    HG   SER  29           HG       SER  29  12.207   5.254  -1.724
  205    H    LYS  30           H        LYS  30  10.675   5.451  -4.401
  206    HA   LYS  30           HA       LYS  30   8.925   3.240  -5.270
  207   1HB   LYS  30          1HB       LYS  30  10.046   5.520  -6.579
  208   2HB   LYS  30          2HB       LYS  30  10.994   4.163  -7.140
  209   1HG   LYS  30          1HG       LYS  30   8.491   3.075  -7.365
  210   2HG   LYS  30          2HG       LYS  30   8.065   4.792  -7.356
  211   1HD   LYS  30          1HD       LYS  30   8.294   4.434  -9.632
  212   2HD   LYS  30          2HD       LYS  30   9.957   4.909  -9.265
  213   1HE   LYS  30          1HE       LYS  30   8.825   2.075  -9.551
  214   2HE   LYS  30          2HE       LYS  30   9.898   2.898 -10.690
  215   1HZ   LYS  30          1HZ       LYS  30  11.597   2.881  -9.007
  216   2HZ   LYS  30          2HZ       LYS  30  10.606   2.104  -7.943
  217   3HZ   LYS  30          3HZ       LYS  30  11.077   1.351  -9.329
  218    H    GLU  31           H        GLU  31  11.687   3.589  -3.478
  219    HA   GLU  31           HA       GLU  31  13.472   1.716  -4.753
  220   1HB   GLU  31          1HB       GLU  31  13.428   2.918  -1.953
  221   2HB   GLU  31          2HB       GLU  31  14.803   2.136  -2.726
  222   1HG   GLU  31          1HG       GLU  31  15.097   3.928  -4.268
  223   2HG   GLU  31          2HG       GLU  31  13.510   4.623  -3.945
  224    H    HIS  32           H        HIS  32  11.479   1.829  -1.838
  225    HA   HIS  32           HA       HIS  32  11.347  -1.160  -1.654
  226   1HB   HIS  32          1HB       HIS  32  11.205  -0.914   0.746
  227   2HB   HIS  32          2HB       HIS  32  12.670  -0.168   0.175
  228    HD1  HIS  32           HD1      HIS  32  12.739   2.554   0.321
  229    HD2  HIS  32           HD2      HIS  32   9.303   0.793   1.850
  230    HE1  HIS  32           HE1      HIS  32  11.421   4.324   1.539
  231    H    ARG  33           H        ARG  33   9.392  -1.635  -0.139
  232    HA   ARG  33           HA       ARG  33   7.019  -0.313  -1.289
  233   1HB   ARG  33          1HB       ARG  33   6.763  -3.017  -0.122
  234   2HB   ARG  33          2HB       ARG  33   6.097  -2.297  -1.573
  235   1HG   ARG  33          1HG       ARG  33   8.247  -2.566  -2.766
  236   2HG   ARG  33          2HG       ARG  33   8.914  -3.381  -1.333
  237   1HD   ARG  33          1HD       ARG  33   7.076  -5.094  -1.510
  238   2HD   ARG  33          2HD       ARG  33   6.539  -4.299  -2.993
  239    HE   ARG  33           HE       ARG  33   8.295  -5.178  -4.168
  240   1HH1  ARG  33          1HH1      ARG  33   8.907  -5.748  -0.693
  241   2HH1  ARG  33          2HH1      ARG  33  10.268  -6.789  -0.998
  242   1HH2  ARG  33          1HH2      ARG  33  10.078  -6.550  -4.516
  243   2HH2  ARG  33          2HH2      ARG  33  10.934  -7.250  -3.168
  244    H    PHE  34           H        PHE  34   5.033  -0.494  -0.010
  245    HA   PHE  34           HA       PHE  34   5.338   0.762   2.538
  246   1HB   PHE  34          1HB       PHE  34   3.299   1.286   1.575
  247   2HB   PHE  34          2HB       PHE  34   3.036  -0.289   0.955
  248    HD1  PHE  34           HD1      PHE  34   1.860  -2.007   2.176
  249    HD2  PHE  34           HD2      PHE  34   2.991   1.663   4.142
  250    HE1  PHE  34           HE1      PHE  34   0.565  -2.668   4.179
  251    HE2  PHE  34           HE2      PHE  34   1.621   1.039   6.097
  252    HZ   PHE  34           HZ       PHE  34   0.405  -1.131   6.127
  253    H    ALA  35           H        ALA  35   4.836  -2.660   1.671
  254    HA   ALA  35           HA       ALA  35   4.524  -3.722   4.252
  255   1HB   ALA  35          1HB       ALA  35   4.192  -5.001   2.171
  256   2HB   ALA  35          2HB       ALA  35   5.935  -4.916   1.828
  257   3HB   ALA  35          3HB       ALA  35   5.348  -5.820   3.241
  258    H    GLN  36           H        GLN  36   7.473  -2.776   2.513
  259    HA   GLN  36           HA       GLN  36   9.334  -3.822   4.446
  260   1HB   GLN  36          1HB       GLN  36   9.769  -1.642   2.374
  261   2HB   GLN  36          2HB       GLN  36  10.970  -2.680   3.085
  262   1HG   GLN  36          1HG       GLN  36   8.782  -3.428   1.100
  263   2HG   GLN  36          2HG       GLN  36  10.514  -3.407   0.820
  264   1HE2  GLN  36          2HE2      GLN  36  11.587  -4.823   2.932
  265   2HE2  GLN  36          1HE2      GLN  36  10.959  -6.456   2.932
  266    H    CYS  37           H        CYS  37   7.827  -0.700   3.756
  267    HA   CYS  37           HA       CYS  37   9.476   0.908   5.367
  268   1HB   CYS  37          1HB       CYS  37   7.794   1.491   3.497
  269   2HB   CYS  37          2HB       CYS  37   6.565   1.507   4.717
  270    HA   PRO  38           HA       PRO  38   7.681   0.003   9.443
  271   1HB   PRO  38          1HB       PRO  38   8.434   2.238  10.844
  272   2HB   PRO  38          2HB       PRO  38   9.569   0.960  10.332
  273   1HG   PRO  38          1HG       PRO  38   9.054   3.579   8.930
  274   2HG   PRO  38          2HG       PRO  38  10.629   2.865   9.383
  275   1HD   PRO  38          1HD       PRO  38   9.611   2.580   6.900
  276   2HD   PRO  38          2HD       PRO  38  10.468   1.218   7.662
  277    H    LYS  39           H        LYS  39   7.202   3.032   7.733
  278    HA   LYS  39           HA       LYS  39   4.711   3.807   9.057
  279   1HB   LYS  39          1HB       LYS  39   6.252   4.761   6.610
  280   2HB   LYS  39          2HB       LYS  39   4.696   5.440   7.081
  281   1HG   LYS  39          1HG       LYS  39   5.588   6.073   9.282
  282   2HG   LYS  39          2HG       LYS  39   7.168   5.381   8.857
  283   1HD   LYS  39          1HD       LYS  39   7.425   7.006   7.024
  284   2HD   LYS  39          2HD       LYS  39   5.782   7.610   7.296
  285   1HE   LYS  39          1HE       LYS  39   7.402   9.154   8.262
  286   2HE   LYS  39          2HE       LYS  39   6.408   8.428   9.535
  287   1HZ   LYS  39          1HZ       LYS  39   9.130   7.590   8.804
  288   2HZ   LYS  39          2HZ       LYS  39   8.719   8.498  10.115
  289   3HZ   LYS  39          3HZ       LYS  39   8.210   6.936  10.007
  Start of MODEL    7
    1   1H    LEU   1          1H        LEU   1 -10.079   1.642   8.194
    2   2H    LEU   1          2H        LEU   1  -8.826   2.670   7.746
    3   3H    LEU   1          3H        LEU   1 -10.282   2.703   6.905
    4    HA   LEU   1           HA       LEU   1  -8.363   0.501   7.042
    5   1HB   LEU   1          1HB       LEU   1  -9.688  -0.796   5.634
    6   2HB   LEU   1          2HB       LEU   1 -10.749  -0.235   6.922
    7    HG   LEU   1           HG       LEU   1 -10.650   0.805   4.046
    8   1HD1  LEU   1          1HD2      LEU   1 -11.605  -1.446   4.287
    9   2HD1  LEU   1          2HD2      LEU   1 -12.719  -0.855   5.537
   10   3HD1  LEU   1          3HD2      LEU   1 -12.859  -0.271   3.867
   11   1HD2  LEU   1          1HD1      LEU   1 -12.430   1.637   6.381
   12   2HD2  LEU   1          2HD1      LEU   1 -11.400   2.688   5.373
   13   3HD2  LEU   1          3HD1      LEU   1 -12.832   1.941   4.681
   14    H    THR   2           H        THR   2  -7.020   0.185   5.215
   15    HA   THR   2           HA       THR   2  -7.373   1.904   2.925
   16    HB   THR   2           HB       THR   2  -6.038   3.365   4.449
   17    HG1  THR   2           HG1      THR   2  -4.429   3.765   2.879
   18   1HG2  THR   2          1HG2      THR   2  -3.843   1.259   4.152
   19   2HG2  THR   2          2HG2      THR   2  -3.710   2.833   4.952
   20   3HG2  THR   2          3HG2      THR   2  -4.749   1.577   5.648
   21    H    CYS   3           H        CYS   3  -6.410   1.237   1.112
   22    HA   CYS   3           HA       CYS   3  -6.121  -1.554   0.902
   23   1HB   CYS   3          1HB       CYS   3  -7.137  -0.079  -0.760
   24   2HB   CYS   3          2HB       CYS   3  -5.565   0.617  -1.137
   25    H    PHE   4           H        PHE   4  -4.385  -2.806   1.152
   26    HA   PHE   4           HA       PHE   4  -1.674  -1.689   1.332
   27   1HB   PHE   4          1HB       PHE   4  -2.700  -4.506   1.818
   28   2HB   PHE   4          2HB       PHE   4  -1.197  -3.798   2.381
   29    HD1  PHE   4           HD1      PHE   4  -4.377  -4.780   3.438
   30    HD2  PHE   4           HD2      PHE   4  -1.624  -1.486   3.825
   31    HE1  PHE   4           HE1      PHE   4  -5.483  -4.090   5.545
   32    HE2  PHE   4           HE2      PHE   4  -2.761  -0.776   5.903
   33    HZ   PHE   4           HZ       PHE   4  -4.695  -2.078   6.769
   34    H    ASN   5           H        ASN   5  -2.908  -1.704  -1.269
   35    HA   ASN   5           HA       ASN   5  -1.113  -3.514  -2.790
   36   1HB   ASN   5          1HB       ASN   5  -3.045  -4.814  -2.563
   37   2HB   ASN   5          2HB       ASN   5  -4.141  -3.478  -2.795
   38   1HD2  ASN   5          2HD2      ASN   5  -4.302  -2.522  -5.101
   39   2HD2  ASN   5          1HD2      ASN   5  -4.468  -3.825  -6.232
   40    H    CYS   6           H        CYS   6  -3.844  -1.249  -3.580
   41    HA   CYS   6           HA       CYS   6  -2.098   0.143  -5.450
   42   1HB   CYS   6          1HB       CYS   6  -4.011   1.077  -6.308
   43   2HB   CYS   6          2HB       CYS   6  -4.387  -0.617  -6.084
   44    H    GLY   7           H        GLY   7  -3.350   0.559  -2.199
   45   1HA   GLY   7          1HA       GLY   7  -2.489   2.052  -0.678
   46   2HA   GLY   7          2HA       GLY   7  -1.839   3.054  -1.972
   47    H    LYS   8           H        LYS   8  -5.254   2.367  -2.459
   48    HA   LYS   8           HA       LYS   8  -5.899   5.119  -1.930
   49   1HB   LYS   8          1HB       LYS   8  -7.102   2.662  -3.223
   50   2HB   LYS   8          2HB       LYS   8  -7.993   4.111  -2.936
   51   1HG   LYS   8          1HG       LYS   8  -6.308   5.435  -4.235
   52   2HG   LYS   8          2HG       LYS   8  -5.436   3.927  -4.579
   53   1HD   LYS   8          1HD       LYS   8  -7.538   3.032  -5.661
   54   2HD   LYS   8          2HD       LYS   8  -8.296   4.611  -5.422
   55   1HE   LYS   8          1HE       LYS   8  -5.768   4.067  -7.056
   56   2HE   LYS   8          2HE       LYS   8  -7.393   4.310  -7.719
   57   1HZ   LYS   8          1HZ       LYS   8  -7.383   6.511  -6.785
   58   2HZ   LYS   8          2HZ       LYS   8  -5.857   6.296  -6.198
   59   3HZ   LYS   8          3HZ       LYS   8  -6.121   6.300  -7.823
   60    HA   PRO   9           HA       PRO   9  -7.635   3.828   2.084
   61   1HB   PRO   9          1HB       PRO   9  -8.800   6.602   1.851
   62   2HB   PRO   9          2HB       PRO   9  -8.055   5.824   3.278
   63   1HG   PRO   9          1HG       PRO   9  -6.646   7.626   1.822
   64   2HG   PRO   9          2HG       PRO   9  -5.862   6.105   2.349
   65   1HD   PRO   9          1HD       PRO   9  -7.054   6.727  -0.374
   66   2HD   PRO   9          2HD       PRO   9  -5.487   5.983   0.057
   67    H    GLY  10           H        GLY  10  -9.835   3.481   2.924
   68   1HA   GLY  10          1HA       GLY  10 -12.181   3.700   2.830
   69   2HA   GLY  10          2HA       GLY  10 -12.123   4.087   1.111
   70    H    HIS  11           H        HIS  11 -10.013   1.603   1.216
   71    HA   HIS  11           HA       HIS  11 -11.828  -0.630   1.633
   72   1HB   HIS  11          1HB       HIS  11 -11.709  -1.575  -0.549
   73   2HB   HIS  11          2HB       HIS  11 -12.408   0.018  -0.677
   74    HD1  HIS  11           HD1      HIS  11 -10.995   1.812  -2.073
   75    HD2  HIS  11           HD2      HIS  11  -9.241  -1.951  -1.813
   76    HE1  HIS  11           HE1      HIS  11  -9.145   1.674  -3.785
   77    H    THR  12           H        THR  12 -10.548  -2.642   0.807
   78    HA   THR  12           HA       THR  12  -7.793  -2.484   1.986
   79    HB   THR  12           HB       THR  12  -9.820  -4.725   2.355
   80    HG1  THR  12           HG1      THR  12 -10.028  -3.818   4.446
   81   1HG2  THR  12          1HG2      THR  12  -8.313  -5.330   4.261
   82   2HG2  THR  12          2HG2      THR  12  -7.476  -5.463   2.713
   83   3HG2  THR  12          3HG2      THR  12  -7.189  -4.054   3.755
   84    H    ALA  13           H        ALA  13  -6.295  -4.093   1.219
   85    HA   ALA  13           HA       ALA  13  -6.316  -4.505  -1.568
   86   1HB   ALA  13          1HB       ALA  13  -4.823  -5.995   0.647
   87   2HB   ALA  13          2HB       ALA  13  -4.418  -6.086  -1.079
   88   3HB   ALA  13          3HB       ALA  13  -4.255  -4.545  -0.210
   89    H    ARG  14           H        ARG  14  -7.702  -6.418   0.962
   90    HA   ARG  14           HA       ARG  14  -8.051  -8.899  -0.343
   91   1HB   ARG  14          1HB       ARG  14  -8.451  -8.236   2.071
   92   2HB   ARG  14          2HB       ARG  14  -9.931  -7.443   1.582
   93   1HG   ARG  14          1HG       ARG  14 -10.888  -9.582   0.803
   94   2HG   ARG  14          2HG       ARG  14  -9.338 -10.400   1.067
   95   1HD   ARG  14          1HD       ARG  14 -10.871 -10.925   2.878
   96   2HD   ARG  14          2HD       ARG  14  -9.490  -9.989   3.483
   97    HE   ARG  14           HE       ARG  14 -11.627  -8.217   2.810
   98   1HH1  ARG  14          1HH1      ARG  14 -10.786 -10.661   5.243
   99   2HH1  ARG  14          2HH1      ARG  14 -11.762  -9.937   6.495
  100   1HH2  ARG  14          1HH2      ARG  14 -12.903  -7.270   4.469
  101   2HH2  ARG  14          2HH2      ARG  14 -12.972  -8.003   6.050
  102    H    MET  15           H        MET  15  -9.925  -5.939  -0.295
  103    HA   MET  15           HA       MET  15 -12.102  -6.908  -1.997
  104   1HB   MET  15          1HB       MET  15 -11.295  -4.193  -0.862
  105   2HB   MET  15          2HB       MET  15 -12.707  -4.444  -1.851
  106   1HG   MET  15          1HG       MET  15 -12.135  -5.966   0.741
  107   2HG   MET  15          2HG       MET  15 -13.018  -4.460   0.686
  108   1HE   MET  15          1HE       MET  15 -15.414  -4.152  -0.268
  109   2HE   MET  15          2HE       MET  15 -14.981  -4.760  -1.885
  110   3HE   MET  15          3HE       MET  15 -16.381  -5.433  -1.030
  111    H    CYS  16           H        CYS  16  -9.201  -4.954  -2.298
  112    HA   CYS  16           HA       CYS  16  -9.720  -3.642  -4.684
  113   1HB   CYS  16          1HB       CYS  16  -7.784  -3.291  -3.066
  114   2HB   CYS  16          2HB       CYS  16  -6.941  -4.557  -3.904
  115    H    ARG  17           H        ARG  17 -10.132  -4.328  -6.649
  116    HA   ARG  17           HA       ARG  17  -9.276  -6.930  -7.690
  117   1HB   ARG  17          1HB       ARG  17 -11.512  -5.967  -8.062
  118   2HB   ARG  17          2HB       ARG  17 -10.801  -4.615  -8.963
  119   1HG   ARG  17          1HG       ARG  17  -9.920  -6.160 -10.657
  120   2HG   ARG  17          2HG       ARG  17 -10.504  -7.556  -9.734
  121   1HD   ARG  17          1HD       ARG  17 -12.247  -5.377 -10.987
  122   2HD   ARG  17          2HD       ARG  17 -11.951  -6.976 -11.654
  123    HE   ARG  17           HE       ARG  17 -13.221  -8.022 -10.017
  124   1HH1  ARG  17          1HH2      ARG  17 -13.273  -4.495  -9.498
  125   2HH1  ARG  17          2HH2      ARG  17 -14.694  -4.558  -8.490
  126   1HH2  ARG  17          1HH1      ARG  17 -15.057  -8.064  -8.687
  127   2HH2  ARG  17          2HH1      ARG  17 -15.700  -6.588  -8.016
  128    H    GLN  18           H        GLN  18  -8.304  -3.570  -7.760
  129    HA   GLN  18           HA       GLN  18  -6.837  -3.380 -10.133
  130   1HB   GLN  18          1HB       GLN  18  -6.026  -2.029  -7.603
  131   2HB   GLN  18          2HB       GLN  18  -5.869  -1.423  -9.205
  132   1HG   GLN  18          1HG       GLN  18  -8.139  -1.051  -9.545
  133   2HG   GLN  18          2HG       GLN  18  -8.580  -1.753  -7.972
  134   1HE2  GLN  18          2HE2      GLN  18  -6.508   0.867  -9.339
  135   2HE2  GLN  18          1HE2      GLN  18  -6.751   1.964  -7.998
  136    HA   PRO  19           HA       PRO  19  -3.043  -5.539  -8.953
  137   1HB   PRO  19          1HB       PRO  19  -1.264  -4.415 -10.683
  138   2HB   PRO  19          2HB       PRO  19  -2.604  -5.453 -11.244
  139   1HG   PRO  19          1HG       PRO  19  -2.436  -2.451 -11.291
  140   2HG   PRO  19          2HG       PRO  19  -3.106  -3.545 -12.534
  141   1HD   PRO  19          1HD       PRO  19  -4.563  -2.166 -10.573
  142   2HD   PRO  19          2HD       PRO  19  -5.225  -3.543 -11.388
  143    H    ARG  20           H        ARG  20  -1.015  -5.053  -7.787
  144    HA   ARG  20           HA       ARG  20  -1.399  -2.820  -6.033
  145   1HB   ARG  20          1HB       ARG  20   0.474  -3.721  -4.788
  146   2HB   ARG  20          2HB       ARG  20  -0.545  -5.045  -5.337
  147   1HG   ARG  20          1HG       ARG  20   1.146  -5.098  -7.393
  148   2HG   ARG  20          2HG       ARG  20   2.195  -4.192  -6.304
  149   1HD   ARG  20          1HD       ARG  20   2.700  -6.556  -6.107
  150   2HD   ARG  20          2HD       ARG  20   1.958  -5.988  -4.595
  151    HE   ARG  20           HE       ARG  20  -0.064  -6.995  -6.353
  152   1HH1  ARG  20          1HH1      ARG  20   2.595  -8.166  -4.317
  153   2HH1  ARG  20          2HH1      ARG  20   1.844  -9.710  -4.001
  154   1HH2  ARG  20          1HH2      ARG  20  -1.044  -9.016  -5.929
  155   2HH2  ARG  20          2HH2      ARG  20  -0.237 -10.197  -4.931
  156    H    GLN  21           H        GLN  21   0.694  -1.607  -5.393
  157    HA   GLN  21           HA       GLN  21   1.498   0.026  -7.683
  158   1HB   GLN  21          1HB       GLN  21   0.727   1.138  -5.674
  159   2HB   GLN  21          2HB       GLN  21   1.914   0.255  -4.698
  160   1HG   GLN  21          1HG       GLN  21   2.525   2.646  -5.125
  161   2HG   GLN  21          2HG       GLN  21   3.746   1.467  -5.584
  162   1HE2  GLN  21          2HE2      GLN  21   0.771   2.672  -7.281
  163   2HE2  GLN  21          1HE2      GLN  21   1.630   3.197  -8.714
  164    H    GLU  22           H        GLU  22   3.552   0.277  -8.401
  165    HA   GLU  22           HA       GLU  22   5.338  -1.844  -8.437
  166   1HB   GLU  22          1HB       GLU  22   5.200   1.083  -9.328
  167   2HB   GLU  22          2HB       GLU  22   6.564   0.070  -9.615
  168   1HG   GLU  22          1HG       GLU  22   5.129   0.109 -11.569
  169   2HG   GLU  22          2HG       GLU  22   5.172  -1.532 -10.904
  170    H    GLY  23           H        GLY  23   5.564   1.452  -7.108
  171   1HA   GLY  23          1HA       GLY  23   8.019   0.859  -5.579
  172   2HA   GLY  23          2HA       GLY  23   7.212   2.408  -5.830
  173    H    CYS  24           H        CYS  24   7.221   2.931  -3.703
  174    HA   CYS  24           HA       CYS  24   5.647   1.368  -1.712
  175   1HB   CYS  24          1HB       CYS  24   7.942   2.298  -1.087
  176   2HB   CYS  24          2HB       CYS  24   7.261   3.903  -1.295
  177    H    TRP  25           H        TRP  25   3.491   1.829  -1.853
  178    HA   TRP  25           HA       TRP  25   2.507   4.198  -3.165
  179   1HB   TRP  25          1HB       TRP  25   0.330   3.261  -2.616
  180   2HB   TRP  25          2HB       TRP  25   1.372   2.045  -3.241
  181    HD1  TRP  25           HD1      TRP  25   1.543  -0.084  -2.013
  182    HE1  TRP  25           HE1      TRP  25   0.674  -1.030   0.271
  183    HE3  TRP  25           HE3      TRP  25  -0.363   4.151  -0.142
  184    HZ2  TRP  25           HZ2      TRP  25  -0.561   0.035   2.631
  185    HZ3  TRP  25           HZ3      TRP  25  -1.391   4.228   2.168
  186    HH2  TRP  25           HH2      TRP  25  -1.475   2.164   3.542
  187    H    ASN  26           H        ASN  26   3.149   3.298   0.176
  188    HA   ASN  26           HA       ASN  26   1.427   5.139   1.417
  189   1HB   ASN  26          1HB       ASN  26   1.959   3.839   3.134
  190   2HB   ASN  26          2HB       ASN  26   2.331   2.732   1.943
  191   1HD2  ASN  26          2HD2      ASN  26   3.892   5.183   4.210
  192   2HD2  ASN  26          1HD2      ASN  26   5.298   4.154   4.412
  193    H    CYS  27           H        CYS  27   4.921   4.853   1.177
  194    HA   CYS  27           HA       CYS  27   5.242   7.666   2.043
  195   1HB   CYS  27          1HB       CYS  27   7.069   7.079   3.025
  196   2HB   CYS  27          2HB       CYS  27   6.508   5.455   2.864
  197    H    GLY  28           H        GLY  28   5.277   5.939  -0.958
  198   1HA   GLY  28          1HA       GLY  28   5.252   7.017  -3.014
  199   2HA   GLY  28          2HA       GLY  28   5.942   8.469  -2.310
  200    H    SER  29           H        SER  29   7.815   5.713  -1.452
  201    HA   SER  29           HA       SER  29  10.051   6.420  -3.081
  202   1HB   SER  29          1HB       SER  29   9.969   5.220  -0.796
  203   2HB   SER  29          2HB       SER  29   9.645   3.744  -1.693
  204    HG   SER  29           HG       SER  29  11.581   3.944  -2.724
  205    H    LYS  30           H        LYS  30  11.155   4.771  -4.420
  206    HA   LYS  30           HA       LYS  30   9.405   3.329  -6.314
  207   1HB   LYS  30          1HB       LYS  30  10.442   5.327  -7.226
  208   2HB   LYS  30          2HB       LYS  30  12.008   4.916  -6.509
  209   1HG   LYS  30          1HG       LYS  30  12.291   3.027  -7.928
  210   2HG   LYS  30          2HG       LYS  30  10.606   3.153  -8.500
  211   1HD   LYS  30          1HD       LYS  30  12.059   3.981 -10.250
  212   2HD   LYS  30          2HD       LYS  30  11.197   5.368  -9.559
  213   1HE   LYS  30          1HE       LYS  30  13.218   5.914  -8.185
  214   2HE   LYS  30          2HE       LYS  30  14.046   4.496  -8.860
  215   1HZ   LYS  30          1HZ       LYS  30  13.880   5.498 -11.010
  216   2HZ   LYS  30          2HZ       LYS  30  13.105   6.815 -10.387
  217   3HZ   LYS  30          3HZ       LYS  30  14.665   6.495  -9.960
  218    H    GLU  31           H        GLU  31  12.314   3.306  -4.279
  219    HA   GLU  31           HA       GLU  31  13.677   1.136  -5.302
  220   1HB   GLU  31          1HB       GLU  31  13.570   2.467  -2.536
  221   2HB   GLU  31          2HB       GLU  31  14.858   1.526  -3.242
  222   1HG   GLU  31          1HG       GLU  31  13.987   4.314  -4.021
  223   2HG   GLU  31          2HG       GLU  31  15.544   3.789  -3.396
  224    H    HIS  32           H        HIS  32  11.381   1.526  -2.664
  225    HA   HIS  32           HA       HIS  32  11.222  -1.454  -2.279
  226   1HB   HIS  32          1HB       HIS  32  11.096  -1.124   0.108
  227   2HB   HIS  32          2HB       HIS  32  12.573  -0.443  -0.508
  228    HD1  HIS  32           HD1      HIS  32  12.711   2.294  -0.382
  229    HD2  HIS  32           HD2      HIS  32   9.226   0.635   1.130
  230    HE1  HIS  32           HE1      HIS  32  11.395   4.112   0.767
  231    H    ARG  33           H        ARG  33   9.291  -1.927  -0.751
  232    HA   ARG  33           HA       ARG  33   6.860  -0.621  -1.843
  233   1HB   ARG  33          1HB       ARG  33   6.903  -3.366  -0.669
  234   2HB   ARG  33          2HB       ARG  33   5.887  -2.673  -1.901
  235   1HG   ARG  33          1HG       ARG  33   8.780  -3.472  -2.376
  236   2HG   ARG  33          2HG       ARG  33   7.378  -4.440  -2.800
  237   1HD   ARG  33          1HD       ARG  33   6.653  -2.943  -4.461
  238   2HD   ARG  33          2HD       ARG  33   7.626  -1.617  -3.858
  239    HE   ARG  33           HE       ARG  33   8.644  -4.075  -5.240
  240   1HH1  ARG  33          1HH2      ARG  33   9.171  -0.624  -4.426
  241   2HH1  ARG  33          2HH2      ARG  33  10.545  -0.491  -5.482
  242   1HH2  ARG  33          1HH1      ARG  33  10.500  -3.853  -6.528
  243   2HH2  ARG  33          2HH1      ARG  33  11.339  -2.324  -6.609
  244    H    PHE  34           H        PHE  34   4.908  -1.013  -0.372
  245    HA   PHE  34           HA       PHE  34   5.448   0.323   2.082
  246   1HB   PHE  34          1HB       PHE  34   3.376   0.887   1.430
  247   2HB   PHE  34          2HB       PHE  34   3.027  -0.578   0.667
  248    HD1  PHE  34           HD1      PHE  34   2.005  -2.497   1.803
  249    HD2  PHE  34           HD2      PHE  34   2.948   1.112   3.974
  250    HE1  PHE  34           HE1      PHE  34   0.708  -3.310   3.752
  251    HE2  PHE  34           HE2      PHE  34   1.595   0.330   5.871
  252    HZ   PHE  34           HZ       PHE  34   0.473  -1.889   5.776
  253    H    ALA  35           H        ALA  35   5.017  -3.123   1.400
  254    HA   ALA  35           HA       ALA  35   4.807  -4.074   4.037
  255   1HB   ALA  35          1HB       ALA  35   4.508  -5.475   2.033
  256   2HB   ALA  35          2HB       ALA  35   6.236  -5.313   1.646
  257   3HB   ALA  35          3HB       ALA  35   5.728  -6.174   3.116
  258    H    GLN  36           H        GLN  36   7.665  -3.093   2.181
  259    HA   GLN  36           HA       GLN  36   9.612  -3.869   4.184
  260   1HB   GLN  36          1HB       GLN  36   9.750  -2.074   1.727
  261   2HB   GLN  36          2HB       GLN  36  11.129  -2.562   2.690
  262   1HG   GLN  36          1HG       GLN  36  10.640  -4.956   2.142
  263   2HG   GLN  36          2HG       GLN  36   9.268  -4.435   1.152
  264   1HE2  GLN  36          2HE2      GLN  36  12.836  -4.166   1.481
  265   2HE2  GLN  36          1HE2      GLN  36  13.131  -3.827  -0.212
  266    H    CYS  37           H        CYS  37   7.918  -0.917   3.214
  267    HA   CYS  37           HA       CYS  37   9.527   0.960   4.506
  268   1HB   CYS  37          1HB       CYS  37   7.688   1.298   2.782
  269   2HB   CYS  37          2HB       CYS  37   6.555   1.268   4.096
  270    HA   PRO  38           HA       PRO  38   8.413   0.382   8.864
  271   1HB   PRO  38          1HB       PRO  38   9.138   3.328   8.882
  272   2HB   PRO  38          2HB       PRO  38   9.565   2.075  10.080
  273   1HG   PRO  38          1HG       PRO  38  11.383   2.839   8.223
  274   2HG   PRO  38          2HG       PRO  38  11.150   1.097   8.559
  275   1HD   PRO  38          1HD       PRO  38  10.040   2.706   6.245
  276   2HD   PRO  38          2HD       PRO  38  10.775   1.073   6.276
  277    H    LYS  39           H        LYS  39   7.320   3.139   6.924
  278    HA   LYS  39           HA       LYS  39   4.994   3.661   8.643
  279   1HB   LYS  39          1HB       LYS  39   6.720   5.273   7.110
  280   2HB   LYS  39          2HB       LYS  39   5.279   5.241   6.145
  281   1HG   LYS  39          1HG       LYS  39   5.443   5.954   9.096
  282   2HG   LYS  39          2HG       LYS  39   5.359   7.111   7.756
  283   1HD   LYS  39          1HD       LYS  39   3.143   6.162   7.085
  284   2HD   LYS  39          2HD       LYS  39   3.165   5.119   8.514
  285   1HE   LYS  39          1HE       LYS  39   3.252   8.166   8.573
  286   2HE   LYS  39          2HE       LYS  39   1.814   7.168   8.846
  287   1HZ   LYS  39          1HZ       LYS  39   2.915   6.186  10.722
  288   2HZ   LYS  39          2HZ       LYS  39   4.241   7.137  10.493
  289   3HZ   LYS  39          3HZ       LYS  39   2.798   7.821  10.895
  Start of MODEL    8
    1   1H    LEU   1          1H        LEU   1  -8.830   1.875   7.536
    2   2H    LEU   1          2H        LEU   1  -7.359   2.065   6.742
    3   3H    LEU   1          3H        LEU   1  -8.564   3.226   6.570
    4    HA   LEU   1           HA       LEU   1  -8.664   0.440   5.661
    5   1HB   LEU   1          1HB       LEU   1 -10.859   1.201   6.372
    6   2HB   LEU   1          2HB       LEU   1 -10.700   2.687   5.430
    7    HG   LEU   1           HG       LEU   1 -10.731   1.388   3.326
    8   1HD1  LEU   1          1HD1      LEU   1 -11.050  -1.028   5.160
    9   2HD1  LEU   1          2HD1      LEU   1 -11.353  -1.037   3.411
   10   3HD1  LEU   1          3HD1      LEU   1  -9.723  -0.717   4.015
   11   1HD2  LEU   1          1HD2      LEU   1 -12.841   2.207   4.291
   12   2HD2  LEU   1          2HD2      LEU   1 -13.080   0.672   3.437
   13   3HD2  LEU   1          3HD2      LEU   1 -13.018   0.696   5.212
   14    H    THR   2           H        THR   2  -6.946   0.413   4.212
   15    HA   THR   2           HA       THR   2  -7.266   2.016   1.840
   16    HB   THR   2           HB       THR   2  -5.980   3.598   3.219
   17    HG1  THR   2           HG1      THR   2  -5.465   3.522   1.036
   18   1HG2  THR   2          1HG2      THR   2  -3.841   1.433   3.427
   19   2HG2  THR   2          2HG2      THR   2  -3.741   3.099   4.028
   20   3HG2  THR   2          3HG2      THR   2  -4.884   1.968   4.763
   21    H    CYS   3           H        CYS   3  -6.417   1.215   0.065
   22    HA   CYS   3           HA       CYS   3  -6.024  -1.557   0.001
   23   1HB   CYS   3          1HB       CYS   3  -7.105  -0.178  -1.718
   24   2HB   CYS   3          2HB       CYS   3  -5.555   0.507  -2.173
   25    H    PHE   4           H        PHE   4  -4.247  -2.762   0.143
   26    HA   PHE   4           HA       PHE   4  -1.567  -1.567   0.269
   27   1HB   PHE   4          1HB       PHE   4  -2.494  -4.417   0.762
   28   2HB   PHE   4          2HB       PHE   4  -1.009  -3.658   1.311
   29    HD1  PHE   4           HD1      PHE   4  -1.561  -1.319   2.707
   30    HD2  PHE   4           HD2      PHE   4  -4.073  -4.810   2.457
   31    HE1  PHE   4           HE1      PHE   4  -2.674  -0.665   4.821
   32    HE2  PHE   4           HE2      PHE   4  -5.158  -4.173   4.592
   33    HZ   PHE   4           HZ       PHE   4  -4.478  -2.093   5.767
   34    H    ASN   5           H        ASN   5  -2.895  -1.706  -2.354
   35    HA   ASN   5           HA       ASN   5  -0.971  -3.412  -3.831
   36   1HB   ASN   5          1HB       ASN   5  -2.781  -4.911  -3.575
   37   2HB   ASN   5          2HB       ASN   5  -3.994  -3.672  -3.868
   38   1HD2  ASN   5          2HD2      ASN   5  -4.602  -3.152  -5.968
   39   2HD2  ASN   5          1HD2      ASN   5  -4.045  -4.030  -7.366
   40    H    CYS   6           H        CYS   6  -3.935  -1.484  -4.649
   41    HA   CYS   6           HA       CYS   6  -2.447  -0.118  -6.735
   42   1HB   CYS   6          1HB       CYS   6  -4.478   0.518  -7.566
   43   2HB   CYS   6          2HB       CYS   6  -4.763  -1.103  -6.990
   44    H    GLY   7           H        GLY   7  -3.282   0.397  -3.405
   45   1HA   GLY   7          1HA       GLY   7  -2.414   1.982  -2.047
   46   2HA   GLY   7          2HA       GLY   7  -1.899   2.946  -3.431
   47    H    LYS   8           H        LYS   8  -5.322   2.181  -3.630
   48    HA   LYS   8           HA       LYS   8  -5.957   4.942  -3.175
   49   1HB   LYS   8          1HB       LYS   8  -7.218   2.417  -4.244
   50   2HB   LYS   8          2HB       LYS   8  -8.111   3.866  -4.021
   51   1HG   LYS   8          1HG       LYS   8  -5.603   3.706  -5.750
   52   2HG   LYS   8          2HG       LYS   8  -7.253   3.510  -6.360
   53   1HD   LYS   8          1HD       LYS   8  -7.814   5.807  -5.532
   54   2HD   LYS   8          2HD       LYS   8  -6.110   6.032  -5.082
   55   1HE   LYS   8          1HE       LYS   8  -5.433   5.619  -7.434
   56   2HE   LYS   8          2HE       LYS   8  -7.139   5.437  -7.889
   57   1HZ   LYS   8          1HZ       LYS   8  -5.916   7.857  -6.760
   58   2HZ   LYS   8          2HZ       LYS   8  -6.331   7.625  -8.337
   59   3HZ   LYS   8          3HZ       LYS   8  -7.502   7.689  -7.179
   60    HA   PRO   9           HA       PRO   9  -7.496   3.901   0.972
   61   1HB   PRO   9          1HB       PRO   9  -8.705   6.640   0.622
   62   2HB   PRO   9          2HB       PRO   9  -7.883   5.961   2.058
   63   1HG   PRO   9          1HG       PRO   9  -6.566   7.679   0.425
   64   2HG   PRO   9          2HG       PRO   9  -5.741   6.200   1.006
   65   1HD   PRO   9          1HD       PRO   9  -7.070   6.642  -1.689
   66   2HD   PRO   9          2HD       PRO   9  -5.477   5.937  -1.287
   67    H    GLY  10           H        GLY  10  -9.655   3.663   1.980
   68   1HA   GLY  10          1HA       GLY  10 -11.983   3.781   2.021
   69   2HA   GLY  10          2HA       GLY  10 -12.046   4.154   0.299
   70    H    HIS  11           H        HIS  11  -9.904   1.593   0.526
   71    HA   HIS  11           HA       HIS  11 -11.748  -0.575   1.018
   72   1HB   HIS  11          1HB       HIS  11 -11.742  -1.578  -1.135
   73   2HB   HIS  11          2HB       HIS  11 -12.419   0.020  -1.287
   74    HD1  HIS  11           HD1      HIS  11 -11.079   1.710  -2.860
   75    HD2  HIS  11           HD2      HIS  11  -9.313  -2.018  -2.407
   76    HE1  HIS  11           HE1      HIS  11  -9.304   1.461  -4.635
   77    H    THR  12           H        THR  12 -10.527  -2.631   0.167
   78    HA   THR  12           HA       THR  12  -7.715  -2.477   1.207
   79    HB   THR  12           HB       THR  12  -9.680  -4.766   1.654
   80    HG1  THR  12           HG1      THR  12  -9.057  -2.614   3.382
   81   1HG2  THR  12          1HG2      THR  12  -8.141  -5.292   3.544
   82   2HG2  THR  12          2HG2      THR  12  -7.294  -5.372   1.996
   83   3HG2  THR  12          3HG2      THR  12  -7.085  -3.956   3.046
   84    H    ALA  13           H        ALA  13  -6.239  -4.025   0.357
   85    HA   ALA  13           HA       ALA  13  -6.455  -4.528  -2.405
   86   1HB   ALA  13          1HB       ALA  13  -4.717  -5.880  -0.287
   87   2HB   ALA  13          2HB       ALA  13  -4.450  -5.991  -2.040
   88   3HB   ALA  13          3HB       ALA  13  -4.293  -4.425  -1.219
   89    H    ARG  14           H        ARG  14  -7.543  -6.423   0.278
   90    HA   ARG  14           HA       ARG  14  -7.887  -8.936  -0.955
   91   1HB   ARG  14          1HB       ARG  14  -8.147  -8.265   1.486
   92   2HB   ARG  14          2HB       ARG  14  -9.665  -7.510   1.093
   93   1HG   ARG  14          1HG       ARG  14 -10.016  -9.728   2.082
   94   2HG   ARG  14          2HG       ARG  14 -10.675  -9.638   0.450
   95   1HD   ARG  14          1HD       ARG  14  -9.500 -11.794   0.913
   96   2HD   ARG  14          2HD       ARG  14  -8.845 -10.925  -0.462
   97    HE   ARG  14           HE       ARG  14  -6.841 -10.668   0.603
   98   1HH1  ARG  14          1HH1      ARG  14  -9.242 -11.608   3.048
   99   2HH1  ARG  14          2HH1      ARG  14  -8.053 -11.838   4.303
  100   1HH2  ARG  14          1HH2      ARG  14  -5.300 -10.972   2.258
  101   2HH2  ARG  14          2HH2      ARG  14  -5.803 -11.472   3.852
  102    H    MET  15           H        MET  15  -9.881  -6.070  -0.807
  103    HA   MET  15           HA       MET  15 -12.154  -7.162  -2.295
  104   1HB   MET  15          1HB       MET  15 -11.414  -4.354  -1.323
  105   2HB   MET  15          2HB       MET  15 -12.874  -4.770  -2.189
  106   1HG   MET  15          1HG       MET  15 -13.350  -6.485  -0.358
  107   2HG   MET  15          2HG       MET  15 -11.972  -5.821   0.525
  108   1HE   MET  15          1HE       MET  15 -13.421  -5.437   2.664
  109   2HE   MET  15          2HE       MET  15 -14.989  -4.597   2.665
  110   3HE   MET  15          3HE       MET  15 -14.816  -6.152   1.819
  111    H    CYS  16           H        CYS  16  -9.380  -5.094  -2.883
  112    HA   CYS  16           HA       CYS  16 -10.078  -3.898  -5.264
  113   1HB   CYS  16          1HB       CYS  16  -8.132  -3.420  -3.748
  114   2HB   CYS  16          2HB       CYS  16  -7.263  -4.742  -4.527
  115    H    ARG  17           H        ARG  17  -9.872  -4.285  -7.339
  116    HA   ARG  17           HA       ARG  17  -9.095  -6.981  -8.353
  117   1HB   ARG  17          1HB       ARG  17 -11.464  -6.274  -8.616
  118   2HB   ARG  17          2HB       ARG  17 -10.936  -4.895  -9.593
  119   1HG   ARG  17          1HG       ARG  17  -9.992  -6.390 -11.287
  120   2HG   ARG  17          2HG       ARG  17 -10.333  -7.812 -10.285
  121   1HD   ARG  17          1HD       ARG  17 -12.430  -5.905 -11.407
  122   2HD   ARG  17          2HD       ARG  17 -11.980  -7.469 -12.121
  123    HE   ARG  17           HE       ARG  17 -12.647  -7.963  -9.436
  124   1HH1  ARG  17          1HH1      ARG  17 -14.275  -6.864 -12.391
  125   2HH1  ARG  17          2HH1      ARG  17 -15.834  -7.489 -11.918
  126   1HH2  ARG  17          1HH2      ARG  17 -14.696  -8.773  -8.821
  127   2HH2  ARG  17          2HH2      ARG  17 -16.073  -8.584  -9.876
  128    H    GLN  18           H        GLN  18  -8.576  -3.487  -8.614
  129    HA   GLN  18           HA       GLN  18  -7.393  -3.165 -10.993
  130   1HB   GLN  18          1HB       GLN  18  -8.139  -1.689  -9.085
  131   2HB   GLN  18          2HB       GLN  18  -6.452  -1.778  -8.553
  132   1HG   GLN  18          1HG       GLN  18  -7.216   0.243  -9.655
  133   2HG   GLN  18          2HG       GLN  18  -5.811  -0.503 -10.420
  134   1HE2  GLN  18          2HE2      GLN  18  -9.429  -0.940 -10.609
  135   2HE2  GLN  18          1HE2      GLN  18  -9.537  -0.754 -12.346
  136    HA   PRO  19           HA       PRO  19  -3.230  -4.947 -10.716
  137   1HB   PRO  19          1HB       PRO  19  -2.392  -2.312 -11.939
  138   2HB   PRO  19          2HB       PRO  19  -1.976  -3.963 -12.477
  139   1HG   PRO  19          1HG       PRO  19  -3.871  -2.526 -13.795
  140   2HG   PRO  19          2HG       PRO  19  -4.156  -4.257 -13.434
  141   1HD   PRO  19          1HD       PRO  19  -5.234  -1.872 -11.887
  142   2HD   PRO  19          2HD       PRO  19  -6.073  -3.293 -12.385
  143    H    ARG  20           H        ARG  20  -1.077  -4.520  -9.685
  144    HA   ARG  20           HA       ARG  20  -1.249  -2.943  -7.304
  145   1HB   ARG  20          1HB       ARG  20   0.846  -3.900  -6.791
  146   2HB   ARG  20          2HB       ARG  20  -0.089  -5.162  -7.580
  147   1HG   ARG  20          1HG       ARG  20   2.172  -3.506  -8.803
  148   2HG   ARG  20          2HG       ARG  20   2.180  -5.186  -8.294
  149   1HD   ARG  20          1HD       ARG  20   0.674  -4.076 -10.670
  150   2HD   ARG  20          2HD       ARG  20   2.138  -5.058 -10.690
  151    HE   ARG  20           HE       ARG  20   0.332  -6.578  -9.240
  152   1HH1  ARG  20          1HH2      ARG  20   0.501  -5.267 -12.534
  153   2HH1  ARG  20          2HH2      ARG  20  -0.513  -6.511 -13.217
  154   1HH2  ARG  20          1HH1      ARG  20  -1.006  -8.198 -10.145
  155   2HH2  ARG  20          2HH1      ARG  20  -1.369  -8.191 -11.851
  156    H    GLN  21           H        GLN  21   0.848  -1.686  -6.766
  157    HA   GLN  21           HA       GLN  21   1.236   0.466  -8.775
  158   1HB   GLN  21          1HB       GLN  21   0.320   1.125  -6.581
  159   2HB   GLN  21          2HB       GLN  21   1.691   0.368  -5.761
  160   1HG   GLN  21          1HG       GLN  21   1.870   2.856  -5.941
  161   2HG   GLN  21          2HG       GLN  21   3.230   2.003  -6.654
  162   1HE2  GLN  21          2HE2      GLN  21  -0.034   3.314  -7.537
  163   2HE2  GLN  21          1HE2      GLN  21   0.459   3.950  -9.093
  164    H    GLU  22           H        GLU  22   3.414   1.207  -9.117
  165    HA   GLU  22           HA       GLU  22   5.270  -0.730  -9.773
  166   1HB   GLU  22          1HB       GLU  22   5.654   2.224  -9.125
  167   2HB   GLU  22          2HB       GLU  22   6.870   1.185  -9.880
  168   1HG   GLU  22          1HG       GLU  22   5.295   0.726 -11.763
  169   2HG   GLU  22          2HG       GLU  22   4.148   1.878 -11.057
  170    H    GLY  23           H        GLY  23   5.152   1.252  -6.828
  171   1HA   GLY  23          1HA       GLY  23   6.733  -0.750  -5.360
  172   2HA   GLY  23          2HA       GLY  23   7.492   0.826  -5.583
  173    H    CYS  24           H        CYS  24   7.288   2.009  -3.804
  174    HA   CYS  24           HA       CYS  24   5.395   1.441  -1.714
  175   1HB   CYS  24          1HB       CYS  24   7.904   2.207  -1.685
  176   2HB   CYS  24          2HB       CYS  24   7.243   3.832  -1.744
  177    H    TRP  25           H        TRP  25   3.399   1.895  -2.454
  178    HA   TRP  25           HA       TRP  25   2.603   4.186  -3.987
  179   1HB   TRP  25          1HB       TRP  25   0.334   3.351  -3.470
  180   2HB   TRP  25          2HB       TRP  25   1.368   2.065  -3.970
  181    HD1  TRP  25           HD1      TRP  25   1.794   0.180  -2.434
  182    HE1  TRP  25           HE1      TRP  25   0.820  -0.610  -0.106
  183    HE3  TRP  25           HE3      TRP  25  -0.718   4.342  -1.264
  184    HZ2  TRP  25           HZ2      TRP  25  -0.716   0.594   2.005
  185    HZ3  TRP  25           HZ3      TRP  25  -1.994   4.552   0.908
  186    HH2  TRP  25           HH2      TRP  25  -1.922   2.699   2.551
  187    H    ASN  26           H        ASN  26   2.926   3.572  -0.568
  188    HA   ASN  26           HA       ASN  26   1.270   5.550   0.545
  189   1HB   ASN  26          1HB       ASN  26   2.097   4.253   2.497
  190   2HB   ASN  26          2HB       ASN  26   1.677   3.169   1.246
  191   1HD2  ASN  26          2HD2      ASN  26   3.898   3.678   3.622
  192   2HD2  ASN  26          1HD2      ASN  26   5.291   2.930   2.891
  193    H    CYS  27           H        CYS  27   4.852   4.940   0.337
  194    HA   CYS  27           HA       CYS  27   5.381   7.644   1.397
  195   1HB   CYS  27          1HB       CYS  27   7.104   6.779   2.376
  196   2HB   CYS  27          2HB       CYS  27   6.525   5.207   1.913
  197    H    GLY  28           H        GLY  28   5.348   5.964  -1.669
  198   1HA   GLY  28          1HA       GLY  28   5.240   7.114  -3.684
  199   2HA   GLY  28          2HA       GLY  28   6.034   8.523  -2.990
  200    H    SER  29           H        SER  29   7.775   5.669  -2.207
  201    HA   SER  29           HA       SER  29   9.914   6.258  -4.124
  202   1HB   SER  29          1HB       SER  29  10.503   5.735  -1.814
  203   2HB   SER  29          2HB       SER  29   9.564   4.226  -1.887
  204    HG   SER  29           HG       SER  29  11.925   4.858  -3.302
  205    H    LYS  30           H        LYS  30  10.580   4.715  -5.688
  206    HA   LYS  30           HA       LYS  30   8.584   2.650  -6.493
  207   1HB   LYS  30          1HB       LYS  30  10.662   4.230  -8.065
  208   2HB   LYS  30          2HB       LYS  30   9.676   2.899  -8.657
  209   1HG   LYS  30          1HG       LYS  30   7.721   4.489  -7.546
  210   2HG   LYS  30          2HG       LYS  30   8.890   5.726  -8.015
  211   1HD   LYS  30          1HD       LYS  30   7.682   3.576  -9.812
  212   2HD   LYS  30          2HD       LYS  30   7.132   5.255  -9.727
  213   1HE   LYS  30          1HE       LYS  30   9.347   6.024 -10.549
  214   2HE   LYS  30          2HE       LYS  30   9.891   4.337 -10.658
  215   1HZ   LYS  30          1HZ       LYS  30   8.124   3.934 -12.222
  216   2HZ   LYS  30          2HZ       LYS  30   7.632   5.494 -12.133
  217   3HZ   LYS  30          3HZ       LYS  30   9.118   5.139 -12.761
  218    H    GLU  31           H        GLU  31  11.817   3.171  -5.243
  219    HA   GLU  31           HA       GLU  31  13.263   1.090  -6.300
  220   1HB   GLU  31          1HB       GLU  31  13.366   2.633  -3.643
  221   2HB   GLU  31          2HB       GLU  31  14.626   1.713  -4.417
  222   1HG   GLU  31          1HG       GLU  31  15.255   3.837  -5.012
  223   2HG   GLU  31          2HG       GLU  31  14.341   3.349  -6.442
  224    H    HIS  32           H        HIS  32  11.260   1.473  -3.426
  225    HA   HIS  32           HA       HIS  32  11.110  -1.496  -3.048
  226   1HB   HIS  32          1HB       HIS  32  11.029  -1.167  -0.610
  227   2HB   HIS  32          2HB       HIS  32  12.506  -0.704  -1.283
  228    HD1  HIS  32           HD1      HIS  32  12.860   2.137  -1.279
  229    HD2  HIS  32           HD2      HIS  32   9.409   0.693   0.536
  230    HE1  HIS  32           HE1      HIS  32  11.756   4.040  -0.031
  231    H    ARG  33           H        ARG  33   9.376  -1.727  -1.252
  232    HA   ARG  33           HA       ARG  33   6.812  -0.565  -2.258
  233   1HB   ARG  33          1HB       ARG  33   7.498  -3.302  -1.186
  234   2HB   ARG  33          2HB       ARG  33   5.912  -2.785  -1.670
  235   1HG   ARG  33          1HG       ARG  33   6.500  -2.517  -3.960
  236   2HG   ARG  33          2HG       ARG  33   8.225  -2.761  -3.657
  237   1HD   ARG  33          1HD       ARG  33   6.099  -4.875  -3.151
  238   2HD   ARG  33          2HD       ARG  33   7.079  -4.755  -4.630
  239    HE   ARG  33           HE       ARG  33   8.892  -4.712  -2.513
  240   1HH1  ARG  33          1HH1      ARG  33   6.540  -7.015  -3.838
  241   2HH1  ARG  33          2HH1      ARG  33   7.433  -8.419  -3.311
  242   1HH2  ARG  33          1HH2      ARG  33  10.052  -6.538  -1.841
  243   2HH2  ARG  33          2HH2      ARG  33   9.450  -8.146  -2.161
  244    H    PHE  34           H        PHE  34   4.989  -0.754  -0.749
  245    HA   PHE  34           HA       PHE  34   5.522   0.548   1.690
  246   1HB   PHE  34          1HB       PHE  34   3.367   0.967   1.195
  247   2HB   PHE  34          2HB       PHE  34   3.106  -0.350   0.251
  248    HD1  PHE  34           HD1      PHE  34   2.076  -2.426   1.331
  249    HD2  PHE  34           HD2      PHE  34   2.971   1.135   3.596
  250    HE1  PHE  34           HE1      PHE  34   0.578  -3.192   3.154
  251    HE2  PHE  34           HE2      PHE  34   1.427   0.404   5.372
  252    HZ   PHE  34           HZ       PHE  34   0.233  -1.778   5.167
  253    H    ALA  35           H        ALA  35   5.040  -2.926   1.047
  254    HA   ALA  35           HA       ALA  35   4.956  -3.837   3.706
  255   1HB   ALA  35          1HB       ALA  35   4.456  -5.242   1.749
  256   2HB   ALA  35          2HB       ALA  35   6.159  -5.170   1.245
  257   3HB   ALA  35          3HB       ALA  35   5.711  -5.989   2.758
  258    H    GLN  36           H        GLN  36   7.732  -3.060   1.644
  259    HA   GLN  36           HA       GLN  36   9.780  -3.930   3.482
  260   1HB   GLN  36          1HB       GLN  36   9.796  -2.096   1.053
  261   2HB   GLN  36          2HB       GLN  36  11.234  -2.650   1.883
  262   1HG   GLN  36          1HG       GLN  36  10.646  -5.004   1.335
  263   2HG   GLN  36          2HG       GLN  36   9.157  -4.461   0.551
  264   1HE2  GLN  36          2HE2      GLN  36  12.737  -4.035   0.397
  265   2HE2  GLN  36          1HE2      GLN  36  12.786  -3.773  -1.334
  266    H    CYS  37           H        CYS  37   8.191  -0.871   2.686
  267    HA   CYS  37           HA       CYS  37   9.981   0.863   4.020
  268   1HB   CYS  37          1HB       CYS  37   8.396   1.360   2.206
  269   2HB   CYS  37          2HB       CYS  37   7.088   1.310   3.263
  270    HA   PRO  38           HA       PRO  38   8.624   0.360   8.314
  271   1HB   PRO  38          1HB       PRO  38   9.258   3.328   8.337
  272   2HB   PRO  38          2HB       PRO  38   9.647   2.104   9.580
  273   1HG   PRO  38          1HG       PRO  38  11.545   2.893   7.814
  274   2HG   PRO  38          2HG       PRO  38  11.342   1.151   8.172
  275   1HD   PRO  38          1HD       PRO  38  10.354   2.672   5.747
  276   2HD   PRO  38          2HD       PRO  38  11.094   1.050   5.882
  277    H    LYS  39           H        LYS  39   7.535   3.069   6.314
  278    HA   LYS  39           HA       LYS  39   4.957   3.385   7.742
  279   1HB   LYS  39          1HB       LYS  39   6.459   4.904   5.568
  280   2HB   LYS  39          2HB       LYS  39   4.740   5.151   5.848
  281   1HG   LYS  39          1HG       LYS  39   5.907   6.836   7.062
  282   2HG   LYS  39          2HG       LYS  39   5.105   5.716   8.177
  283   1HD   LYS  39          1HD       LYS  39   7.239   4.662   8.739
  284   2HD   LYS  39          2HD       LYS  39   8.069   5.611   7.487
  285   1HE   LYS  39          1HE       LYS  39   8.500   6.565   9.687
  286   2HE   LYS  39          2HE       LYS  39   7.515   7.696   8.744
  287   1HZ   LYS  39          1HZ       LYS  39   6.508   5.833  10.786
  288   2HZ   LYS  39          2HZ       LYS  39   6.738   7.452  10.991
  289   3HZ   LYS  39          3HZ       LYS  39   5.596   6.911   9.935
  Start of MODEL    9
    1   1H    LEU   1          1H        LEU   1  -8.663   1.630   9.736
    2   2H    LEU   1          2H        LEU   1  -7.155   1.827   9.019
    3   3H    LEU   1          3H        LEU   1  -8.328   3.020   8.851
    4    HA   LEU   1           HA       LEU   1  -8.446   0.282   7.803
    5   1HB   LEU   1          1HB       LEU   1 -10.659   1.086   8.443
    6   2HB   LEU   1          2HB       LEU   1 -10.403   2.599   7.568
    7    HG   LEU   1           HG       LEU   1 -10.340   1.351   5.410
    8   1HD1  LEU   1          1HD1      LEU   1 -10.942  -1.067   7.174
    9   2HD1  LEU   1          2HD1      LEU   1 -11.121  -1.030   5.410
   10   3HD1  LEU   1          3HD1      LEU   1  -9.519  -0.835   6.133
   11   1HD2  LEU   1          1HD2      LEU   1 -12.452   2.288   6.253
   12   2HD2  LEU   1          2HD2      LEU   1 -12.730   0.787   5.353
   13   3HD2  LEU   1          3HD2      LEU   1 -12.785   0.777   7.128
   14    H    THR   2           H        THR   2  -6.854   0.166   6.252
   15    HA   THR   2           HA       THR   2  -7.081   1.969   4.023
   16    HB   THR   2           HB       THR   2  -5.538   3.283   5.407
   17    HG1  THR   2           HG1      THR   2  -3.908   3.413   3.817
   18   1HG2  THR   2          1HG2      THR   2  -3.612   0.918   5.213
   19   2HG2  THR   2          2HG2      THR   2  -3.298   2.500   5.948
   20   3HG2  THR   2          3HG2      THR   2  -4.472   1.403   6.692
   21    H    CYS   3           H        CYS   3  -6.472   1.129   2.155
   22    HA   CYS   3           HA       CYS   3  -6.201  -1.671   1.955
   23   1HB   CYS   3          1HB       CYS   3  -7.282  -0.238   0.305
   24   2HB   CYS   3          2HB       CYS   3  -5.741   0.464  -0.145
   25    H    PHE   4           H        PHE   4  -4.265  -2.789   2.523
   26    HA   PHE   4           HA       PHE   4  -1.743  -1.652   2.561
   27   1HB   PHE   4          1HB       PHE   4  -2.753  -4.522   2.528
   28   2HB   PHE   4          2HB       PHE   4  -1.254  -3.923   3.174
   29    HD1  PHE   4           HD1      PHE   4  -1.786  -1.672   4.851
   30    HD2  PHE   4           HD2      PHE   4  -4.190  -5.211   4.281
   31    HE1  PHE   4           HE1      PHE   4  -2.904  -1.249   7.000
   32    HE2  PHE   4           HE2      PHE   4  -5.266  -4.809   6.476
   33    HZ   PHE   4           HZ       PHE   4  -4.652  -2.820   7.827
   34    H    ASN   5           H        ASN   5  -3.488  -2.528  -0.176
   35    HA   ASN   5           HA       ASN   5  -1.260  -3.674  -1.733
   36   1HB   ASN   5          1HB       ASN   5  -3.255  -4.905  -1.799
   37   2HB   ASN   5          2HB       ASN   5  -4.284  -3.518  -1.942
   38   1HD2  ASN   5          2HD2      ASN   5  -4.834  -2.684  -3.950
   39   2HD2  ASN   5          1HD2      ASN   5  -4.237  -3.387  -5.438
   40    H    CYS   6           H        CYS   6  -3.922  -1.426  -2.449
   41    HA   CYS   6           HA       CYS   6  -2.201   0.111  -4.226
   42   1HB   CYS   6          1HB       CYS   6  -4.100   0.974  -5.135
   43   2HB   CYS   6          2HB       CYS   6  -4.458  -0.716  -4.913
   44    H    GLY   7           H        GLY   7  -3.231   0.443  -0.932
   45   1HA   GLY   7          1HA       GLY   7  -2.472   2.048   0.534
   46   2HA   GLY   7          2HA       GLY   7  -1.918   3.036  -0.811
   47    H    LYS   8           H        LYS   8  -5.293   2.227  -1.331
   48    HA   LYS   8           HA       LYS   8  -5.923   4.976  -0.819
   49   1HB   LYS   8          1HB       LYS   8  -7.163   2.530  -2.105
   50   2HB   LYS   8          2HB       LYS   8  -8.014   4.010  -1.875
   51   1HG   LYS   8          1HG       LYS   8  -6.281   5.255  -3.195
   52   2HG   LYS   8          2HG       LYS   8  -5.421   3.726  -3.442
   53   1HD   LYS   8          1HD       LYS   8  -7.526   2.831  -4.565
   54   2HD   LYS   8          2HD       LYS   8  -8.211   4.459  -4.443
   55   1HE   LYS   8          1HE       LYS   8  -6.372   5.360  -5.814
   56   2HE   LYS   8          2HE       LYS   8  -5.586   3.770  -5.854
   57   1HZ   LYS   8          1HZ       LYS   8  -8.222   4.368  -6.996
   58   2HZ   LYS   8          2HZ       LYS   8  -6.815   4.218  -7.840
   59   3HZ   LYS   8          3HZ       LYS   8  -7.438   2.914  -7.053
   60    HA   PRO   9           HA       PRO   9  -7.900   3.666   3.030
   61   1HB   PRO   9          1HB       PRO   9  -9.191   5.959   3.750
   62   2HB   PRO   9          2HB       PRO   9  -7.413   5.818   3.774
   63   1HG   PRO   9          1HG       PRO   9  -9.148   6.971   1.565
   64   2HG   PRO   9          2HG       PRO   9  -7.727   7.734   2.338
   65   1HD   PRO   9          1HD       PRO   9  -7.555   6.358  -0.017
   66   2HD   PRO   9          2HD       PRO   9  -6.232   6.297   1.190
   67    H    GLY  10           H        GLY  10 -10.162   3.628   3.938
   68   1HA   GLY  10          1HA       GLY  10 -12.481   3.579   3.755
   69   2HA   GLY  10          2HA       GLY  10 -12.393   3.913   2.022
   70    H    HIS  11           H        HIS  11 -10.125   1.467   2.585
   71    HA   HIS  11           HA       HIS  11 -11.903  -0.756   2.947
   72   1HB   HIS  11          1HB       HIS  11 -11.498  -1.853   0.776
   73   2HB   HIS  11          2HB       HIS  11 -12.419  -0.478   0.598
   74    HD1  HIS  11           HD1      HIS  11 -10.960   1.742  -0.512
   75    HD2  HIS  11           HD2      HIS  11  -9.437  -2.100  -0.724
   76    HE1  HIS  11           HE1      HIS  11  -9.266   1.688  -2.388
   77    H    THR  12           H        THR  12 -10.561  -2.680   2.063
   78    HA   THR  12           HA       THR  12  -7.794  -2.580   3.214
   79    HB   THR  12           HB       THR  12  -9.770  -4.877   3.594
   80    HG1  THR  12           HG1      THR  12  -9.084  -2.784   5.372
   81   1HG2  THR  12          1HG2      THR  12  -8.200  -5.499   5.435
   82   2HG2  THR  12          2HG2      THR  12  -7.394  -5.544   3.863
   83   3HG2  THR  12          3HG2      THR  12  -7.131  -4.167   4.954
   84    H    ALA  13           H        ALA  13  -6.333  -4.137   2.302
   85    HA   ALA  13           HA       ALA  13  -6.532  -4.450  -0.476
   86   1HB   ALA  13          1HB       ALA  13  -4.870  -5.994   1.578
   87   2HB   ALA  13          2HB       ALA  13  -4.569  -6.005  -0.171
   88   3HB   ALA  13          3HB       ALA  13  -4.391  -4.494   0.751
   89    H    ARG  14           H        ARG  14  -7.718  -6.474   2.067
   90    HA   ARG  14           HA       ARG  14  -8.114  -8.955   0.818
   91   1HB   ARG  14          1HB       ARG  14  -8.502  -8.244   3.210
   92   2HB   ARG  14          2HB       ARG  14  -9.969  -7.431   2.713
   93   1HG   ARG  14          1HG       ARG  14 -10.924  -9.590   1.919
   94   2HG   ARG  14          2HG       ARG  14  -9.415 -10.418   2.358
   95   1HD   ARG  14          1HD       ARG  14  -9.748  -9.786   4.723
   96   2HD   ARG  14          2HD       ARG  14 -11.251  -8.937   4.291
   97    HE   ARG  14           HE       ARG  14 -11.439 -11.590   3.333
   98   1HH1  ARG  14          1HH1      ARG  14 -11.296  -9.898   6.451
   99   2HH1  ARG  14          2HH1      ARG  14 -12.205 -11.121   7.300
  100   1HH2  ARG  14          1HH2      ARG  14 -12.629 -13.190   4.460
  101   2HH2  ARG  14          2HH2      ARG  14 -12.966 -13.002   6.161
  102    H    MET  15           H        MET  15 -10.038  -6.011   0.839
  103    HA   MET  15           HA       MET  15 -12.205  -7.044  -0.810
  104   1HB   MET  15          1HB       MET  15 -11.538  -4.229   0.158
  105   2HB   MET  15          2HB       MET  15 -13.075  -4.760  -0.510
  106   1HG   MET  15          1HG       MET  15 -11.828  -5.790   2.080
  107   2HG   MET  15          2HG       MET  15 -13.085  -4.580   1.948
  108   1HE   MET  15          1HE       MET  15 -14.492  -5.950   3.724
  109   2HE   MET  15          2HE       MET  15 -14.904  -7.671   3.540
  110   3HE   MET  15          3HE       MET  15 -13.211  -7.185   3.787
  111    H    CYS  16           H        CYS  16  -9.288  -5.123  -1.268
  112    HA   CYS  16           HA       CYS  16 -10.092  -3.885  -3.712
  113   1HB   CYS  16          1HB       CYS  16  -8.533  -2.912  -2.257
  114   2HB   CYS  16          2HB       CYS  16  -7.426  -4.123  -2.326
  115    H    ARG  17           H        ARG  17 -10.101  -4.643  -5.680
  116    HA   ARG  17           HA       ARG  17  -8.838  -7.165  -6.476
  117   1HB   ARG  17          1HB       ARG  17 -11.159  -6.582  -7.094
  118   2HB   ARG  17          2HB       ARG  17 -10.594  -5.133  -7.923
  119   1HG   ARG  17          1HG       ARG  17 -11.119  -6.880  -9.510
  120   2HG   ARG  17          2HG       ARG  17  -9.402  -6.485  -9.591
  121   1HD   ARG  17          1HD       ARG  17  -8.831  -8.494  -8.297
  122   2HD   ARG  17          2HD       ARG  17 -10.537  -8.868  -8.037
  123    HE   ARG  17           HE       ARG  17  -8.886  -9.346 -10.390
  124   1HH1  ARG  17          1HH1      ARG  17 -12.248  -8.938  -9.312
  125   2HH1  ARG  17          2HH1      ARG  17 -12.915  -9.834 -10.652
  126   1HH2  ARG  17          1HH2      ARG  17  -9.778 -10.506 -12.141
  127   2HH2  ARG  17          2HH2      ARG  17 -11.504 -10.722 -12.271
  128    H    GLN  18           H        GLN  18  -8.343  -3.710  -6.733
  129    HA   GLN  18           HA       GLN  18  -6.994  -3.395  -9.125
  130   1HB   GLN  18          1HB       GLN  18  -6.322  -1.908  -6.580
  131   2HB   GLN  18          2HB       GLN  18  -6.152  -1.347  -8.226
  132   1HG   GLN  18          1HG       GLN  18  -8.522  -1.142  -8.528
  133   2HG   GLN  18          2HG       GLN  18  -8.866  -1.914  -6.974
  134   1HE2  GLN  18          2HE2      GLN  18  -9.524  -0.508  -5.456
  135   2HE2  GLN  18          1HE2      GLN  18  -8.920   1.123  -5.257
  136    HA   PRO  19           HA       PRO  19  -2.854  -5.102  -8.453
  137   1HB   PRO  19          1HB       PRO  19  -1.966  -2.528  -9.784
  138   2HB   PRO  19          2HB       PRO  19  -1.444  -4.197 -10.147
  139   1HG   PRO  19          1HG       PRO  19  -3.248  -2.908 -11.737
  140   2HG   PRO  19          2HG       PRO  19  -3.464  -4.634 -11.323
  141   1HD   PRO  19          1HD       PRO  19  -4.950  -2.266 -10.147
  142   2HD   PRO  19          2HD       PRO  19  -5.484  -3.916 -10.545
  143    H    ARG  20           H        ARG  20  -0.790  -4.490  -7.232
  144    HA   ARG  20           HA       ARG  20  -1.376  -2.500  -5.143
  145   1HB   ARG  20          1HB       ARG  20   0.310  -3.341  -3.907
  146   2HB   ARG  20          2HB       ARG  20  -0.329  -4.784  -4.659
  147   1HG   ARG  20          1HG       ARG  20   1.490  -5.102  -6.003
  148   2HG   ARG  20          2HG       ARG  20   2.075  -3.459  -5.941
  149   1HD   ARG  20          1HD       ARG  20   2.040  -5.321  -3.529
  150   2HD   ARG  20          2HD       ARG  20   3.425  -5.032  -4.574
  151    HE   ARG  20           HE       ARG  20   3.557  -2.759  -3.931
  152   1HH1  ARG  20          1HH2      ARG  20   1.160  -4.489  -1.931
  153   2HH1  ARG  20          2HH2      ARG  20   1.177  -3.284  -0.674
  154   1HH2  ARG  20          1HH1      ARG  20   3.660  -1.283  -2.221
  155   2HH2  ARG  20          2HH1      ARG  20   2.629  -1.483  -0.824
  156    H    GLN  21           H        GLN  21   0.789  -1.389  -4.421
  157    HA   GLN  21           HA       GLN  21   1.384   0.617  -6.438
  158   1HB   GLN  21          1HB       GLN  21   0.870   1.151  -4.100
  159   2HB   GLN  21          2HB       GLN  21   2.280   0.251  -3.542
  160   1HG   GLN  21          1HG       GLN  21   2.740   2.687  -3.590
  161   2HG   GLN  21          2HG       GLN  21   3.811   1.792  -4.650
  162   1HE2  GLN  21          2HE2      GLN  21   0.699   3.624  -4.662
  163   2HE2  GLN  21          1HE2      GLN  21   0.911   4.290  -6.267
  164    H    GLU  22           H        GLU  22   3.405   1.065  -7.226
  165    HA   GLU  22           HA       GLU  22   5.180  -0.906  -8.059
  166   1HB   GLU  22          1HB       GLU  22   5.635   2.058  -7.484
  167   2HB   GLU  22          2HB       GLU  22   6.773   1.011  -8.339
  168   1HG   GLU  22          1HG       GLU  22   5.126   0.616 -10.117
  169   2HG   GLU  22          2HG       GLU  22   3.929   1.603  -9.256
  170    H    GLY  23           H        GLY  23   5.736   1.447  -5.469
  171   1HA   GLY  23          1HA       GLY  23   7.459  -0.496  -3.983
  172   2HA   GLY  23          2HA       GLY  23   7.755   1.227  -4.062
  173    H    CYS  24           H        CYS  24   7.179   2.266  -2.310
  174    HA   CYS  24           HA       CYS  24   5.262   1.154  -0.366
  175   1HB   CYS  24          1HB       CYS  24   7.638   1.866   0.209
  176   2HB   CYS  24          2HB       CYS  24   7.174   3.507  -0.167
  177    H    TRP  25           H        TRP  25   3.185   1.824  -0.559
  178    HA   TRP  25           HA       TRP  25   2.445   4.358  -1.800
  179   1HB   TRP  25          1HB       TRP  25   0.192   3.638  -1.147
  180   2HB   TRP  25          2HB       TRP  25   1.003   2.446  -2.085
  181    HD1  TRP  25           HD1      TRP  25   1.042   0.125  -1.161
  182    HE1  TRP  25           HE1      TRP  25   0.291  -1.056   1.062
  183    HE3  TRP  25           HE3      TRP  25  -0.195   4.211   1.440
  184    HZ2  TRP  25           HZ2      TRP  25  -0.592  -0.192   3.681
  185    HZ3  TRP  25           HZ3      TRP  25  -0.637   4.088   3.913
  186    HH2  TRP  25           HH2      TRP  25  -1.040   1.858   4.975
  187    H    ASN  26           H        ASN  26   3.262   3.240   1.408
  188    HA   ASN  26           HA       ASN  26   1.606   5.065   2.913
  189   1HB   ASN  26          1HB       ASN  26   2.125   3.014   3.884
  190   2HB   ASN  26          2HB       ASN  26   3.817   3.104   3.476
  191   1HD2  ASN  26          2HD2      ASN  26   5.175   3.490   5.201
  192   2HD2  ASN  26          1HD2      ASN  26   4.628   4.227   6.682
  193    H    CYS  27           H        CYS  27   5.064   5.015   2.016
  194    HA   CYS  27           HA       CYS  27   5.265   7.847   2.863
  195   1HB   CYS  27          1HB       CYS  27   7.328   7.529   3.485
  196   2HB   CYS  27          2HB       CYS  27   6.648   6.018   4.020
  197    H    GLY  28           H        GLY  28   5.320   5.775   0.040
  198   1HA   GLY  28          1HA       GLY  28   5.125   6.639  -2.117
  199   2HA   GLY  28          2HA       GLY  28   5.694   8.206  -1.572
  200    H    SER  29           H        SER  29   7.487   5.258  -0.825
  201    HA   SER  29           HA       SER  29   9.772   6.166  -2.466
  202   1HB   SER  29          1HB       SER  29  10.130   5.450  -0.119
  203   2HB   SER  29          2HB       SER  29   9.495   3.838  -0.531
  204    HG   SER  29           HG       SER  29  11.797   5.101  -1.603
  205    H    LYS  30           H        LYS  30  10.856   4.567  -3.805
  206    HA   LYS  30           HA       LYS  30   9.107   2.575  -5.154
  207   1HB   LYS  30          1HB       LYS  30  11.462   4.256  -6.096
  208   2HB   LYS  30          2HB       LYS  30  10.726   2.952  -7.008
  209   1HG   LYS  30          1HG       LYS  30   9.386   5.560  -6.163
  210   2HG   LYS  30          2HG       LYS  30   9.906   5.103  -7.789
  211   1HD   LYS  30          1HD       LYS  30   8.234   3.158  -7.663
  212   2HD   LYS  30          2HD       LYS  30   7.645   3.877  -6.152
  213   1HE   LYS  30          1HE       LYS  30   6.171   4.644  -7.815
  214   2HE   LYS  30          2HE       LYS  30   7.206   6.024  -7.417
  215   1HZ   LYS  30          1HZ       LYS  30   7.484   4.225  -9.732
  216   2HZ   LYS  30          2HZ       LYS  30   6.897   5.756  -9.767
  217   3HZ   LYS  30          3HZ       LYS  30   8.487   5.498  -9.402
  218    H    GLU  31           H        GLU  31  11.991   3.033  -3.182
  219    HA   GLU  31           HA       GLU  31  13.574   0.953  -4.108
  220   1HB   GLU  31          1HB       GLU  31  13.356   2.447  -1.436
  221   2HB   GLU  31          2HB       GLU  31  14.724   1.586  -2.095
  222   1HG   GLU  31          1HG       GLU  31  13.587   4.211  -3.082
  223   2HG   GLU  31          2HG       GLU  31  15.172   3.904  -2.385
  224    H    HIS  32           H        HIS  32  11.287   1.320  -1.444
  225    HA   HIS  32           HA       HIS  32  11.113  -1.657  -1.093
  226   1HB   HIS  32          1HB       HIS  32  10.742  -1.311   1.313
  227   2HB   HIS  32          2HB       HIS  32  12.272  -0.807   0.823
  228    HD1  HIS  32           HD1      HIS  32  12.454   2.054   0.586
  229    HD2  HIS  32           HD2      HIS  32   9.109   0.526   2.529
  230    HE1  HIS  32           HE1      HIS  32  11.224   3.959   1.693
  231    H    ARG  33           H        ARG  33   9.183  -1.914   0.494
  232    HA   ARG  33           HA       ARG  33   6.803  -0.525  -0.591
  233   1HB   ARG  33          1HB       ARG  33   6.870  -3.415   0.227
  234   2HB   ARG  33          2HB       ARG  33   5.644  -2.498  -0.573
  235   1HG   ARG  33          1HG       ARG  33   7.168  -2.024  -2.477
  236   2HG   ARG  33          2HG       ARG  33   8.297  -3.235  -1.860
  237   1HD   ARG  33          1HD       ARG  33   6.856  -5.000  -2.367
  238   2HD   ARG  33          2HD       ARG  33   5.404  -3.982  -2.343
  239    HE   ARG  33           HE       ARG  33   6.693  -2.859  -4.406
  240   1HH1  ARG  33          1HH1      ARG  33   6.033  -6.300  -3.772
  241   2HH1  ARG  33          2HH1      ARG  33   5.918  -6.694  -5.466
  242   1HH2  ARG  33          1HH2      ARG  33   6.511  -3.382  -6.566
  243   2HH2  ARG  33          2HH2      ARG  33   6.195  -5.025  -7.077
  244    H    PHE  34           H        PHE  34   4.883  -0.990   0.677
  245    HA   PHE  34           HA       PHE  34   5.129   0.454   3.098
  246   1HB   PHE  34          1HB       PHE  34   3.038   0.763   2.278
  247   2HB   PHE  34          2HB       PHE  34   2.930  -0.821   1.593
  248    HD1  PHE  34           HD1      PHE  34   1.758  -2.600   2.724
  249    HD2  PHE  34           HD2      PHE  34   2.813   0.986   4.879
  250    HE1  PHE  34           HE1      PHE  34   0.547  -3.430   4.720
  251    HE2  PHE  34           HE2      PHE  34   1.516   0.192   6.831
  252    HZ   PHE  34           HZ       PHE  34   0.394  -2.026   6.761
  253    H    ALA  35           H        ALA  35   4.846  -3.061   2.612
  254    HA   ALA  35           HA       ALA  35   4.544  -3.830   5.310
  255   1HB   ALA  35          1HB       ALA  35   4.255  -5.360   3.405
  256   2HB   ALA  35          2HB       ALA  35   5.994  -5.263   3.044
  257   3HB   ALA  35          3HB       ALA  35   5.439  -6.007   4.559
  258    H    GLN  36           H        GLN  36   7.454  -3.109   3.423
  259    HA   GLN  36           HA       GLN  36   9.346  -3.823   5.483
  260   1HB   GLN  36          1HB       GLN  36   9.573  -2.249   2.894
  261   2HB   GLN  36          2HB       GLN  36  10.940  -2.846   3.812
  262   1HG   GLN  36          1HG       GLN  36   8.769  -4.521   2.433
  263   2HG   GLN  36          2HG       GLN  36  10.417  -4.292   1.881
  264   1HE2  GLN  36          2HE2      GLN  36  12.163  -4.918   3.639
  265   2HE2  GLN  36          1HE2      GLN  36  11.854  -6.423   4.479
  266    H    CYS  37           H        CYS  37   7.767  -0.840   4.422
  267    HA   CYS  37           HA       CYS  37   9.615   0.993   5.402
  268   1HB   CYS  37          1HB       CYS  37   7.756   1.445   3.852
  269   2HB   CYS  37          2HB       CYS  37   6.618   1.300   5.096
  270    HA   PRO  38           HA       PRO  38   8.689   0.734   9.856
  271   1HB   PRO  38          1HB       PRO  38  10.283   2.721  10.774
  272   2HB   PRO  38          2HB       PRO  38  10.941   1.234  10.035
  273   1HG   PRO  38          1HG       PRO  38  10.541   3.885   8.649
  274   2HG   PRO  38          2HG       PRO  38  12.032   2.902   8.727
  275   1HD   PRO  38          1HD       PRO  38  10.291   2.726   6.643
  276   2HD   PRO  38          2HD       PRO  38  11.157   1.282   7.247
  277    H    LYS  39           H        LYS  39   8.382   3.590   7.848
  278    HA   LYS  39           HA       LYS  39   7.294   5.398   9.649
  279   1HB   LYS  39          1HB       LYS  39   8.071   5.614   7.116
  280   2HB   LYS  39          2HB       LYS  39   6.362   5.426   6.765
  281   1HG   LYS  39          1HG       LYS  39   5.816   7.259   8.335
  282   2HG   LYS  39          2HG       LYS  39   7.536   7.463   8.685
  283   1HD   LYS  39          1HD       LYS  39   6.229   7.801   5.939
  284   2HD   LYS  39          2HD       LYS  39   6.562   9.130   7.050
  285   1HE   LYS  39          1HE       LYS  39   8.674   7.339   5.758
  286   2HE   LYS  39          2HE       LYS  39   8.275   9.001   5.308
  287   1HZ   LYS  39          1HZ       LYS  39   8.953   9.702   7.487
  288   2HZ   LYS  39          2HZ       LYS  39   9.370   8.160   7.894
  289   3HZ   LYS  39          3HZ       LYS  39  10.181   8.943   6.693
  Start of MODEL   10
    1   1H    LEU   1          1H        LEU   1  -9.173   1.361   9.120
    2   2H    LEU   1          2H        LEU   1  -7.666   1.528   8.391
    3   3H    LEU   1          3H        LEU   1  -8.837   2.718   8.185
    4    HA   LEU   1           HA       LEU   1  -8.951  -0.051   7.234
    5   1HB   LEU   1          1HB       LEU   1 -11.154   0.780   7.901
    6   2HB   LEU   1          2HB       LEU   1 -10.939   2.231   6.919
    7    HG   LEU   1           HG       LEU   1 -10.918   0.844   4.862
    8   1HD1  LEU   1          1HD1      LEU   1 -11.420  -1.474   6.776
    9   2HD1  LEU   1          2HD1      LEU   1 -11.634  -1.547   5.015
   10   3HD1  LEU   1          3HD1      LEU   1 -10.026  -1.263   5.690
   11   1HD2  LEU   1          1HD2      LEU   1 -13.032   1.788   5.703
   12   2HD2  LEU   1          2HD2      LEU   1 -13.300   0.227   4.907
   13   3HD2  LEU   1          3HD2      LEU   1 -13.304   0.328   6.680
   14    H    THR   2           H        THR   2  -6.991   0.089   6.060
   15    HA   THR   2           HA       THR   2  -6.964   1.962   3.770
   16    HB   THR   2           HB       THR   2  -4.662   1.263   5.614
   17    HG1  THR   2           HG1      THR   2  -6.117   2.778   6.510
   18   1HG2  THR   2          1HG2      THR   2  -3.472   3.046   4.339
   19   2HG2  THR   2          2HG2      THR   2  -3.817   1.594   3.383
   20   3HG2  THR   2          3HG2      THR   2  -4.814   3.058   3.170
   21    H    CYS   3           H        CYS   3  -6.338   1.132   1.922
   22    HA   CYS   3           HA       CYS   3  -6.145  -1.675   1.555
   23   1HB   CYS   3          1HB       CYS   3  -7.139  -0.087  -0.045
   24   2HB   CYS   3          2HB       CYS   3  -5.549   0.565  -0.395
   25    H    PHE   4           H        PHE   4  -4.346  -2.926   1.631
   26    HA   PHE   4           HA       PHE   4  -1.652  -1.743   1.778
   27   1HB   PHE   4          1HB       PHE   4  -2.575  -4.592   2.231
   28   2HB   PHE   4          2HB       PHE   4  -1.088  -3.832   2.778
   29    HD1  PHE   4           HD1      PHE   4  -3.944  -5.154   4.054
   30    HD2  PHE   4           HD2      PHE   4  -1.860  -1.378   4.111
   31    HE1  PHE   4           HE1      PHE   4  -5.038  -4.566   6.195
   32    HE2  PHE   4           HE2      PHE   4  -2.941  -0.806   6.250
   33    HZ   PHE   4           HZ       PHE   4  -4.541  -2.398   7.301
   34    H    ASN   5           H        ASN   5  -2.966  -1.698  -0.779
   35    HA   ASN   5           HA       ASN   5  -1.157  -3.406  -2.397
   36   1HB   ASN   5          1HB       ASN   5  -3.024  -4.820  -2.273
   37   2HB   ASN   5          2HB       ASN   5  -4.186  -3.508  -2.383
   38   1HD2  ASN   5          2HD2      ASN   5  -4.922  -2.823  -4.384
   39   2HD2  ASN   5          1HD2      ASN   5  -4.355  -3.471  -5.906
   40    H    CYS   6           H        CYS   6  -3.988  -1.234  -3.037
   41    HA   CYS   6           HA       CYS   6  -2.406   0.265  -4.964
   42   1HB   CYS   6          1HB       CYS   6  -4.390   1.101  -5.724
   43   2HB   CYS   6          2HB       CYS   6  -4.727  -0.587  -5.421
   44    H    GLY   7           H        GLY   7  -3.361   0.498  -1.618
   45   1HA   GLY   7          1HA       GLY   7  -2.467   1.951  -0.102
   46   2HA   GLY   7          2HA       GLY   7  -1.925   3.025  -1.392
   47    H    LYS   8           H        LYS   8  -5.337   2.382  -1.835
   48    HA   LYS   8           HA       LYS   8  -5.889   5.074  -1.080
   49   1HB   LYS   8          1HB       LYS   8  -7.266   2.736  -2.445
   50   2HB   LYS   8          2HB       LYS   8  -8.029   4.255  -2.137
   51   1HG   LYS   8          1HG       LYS   8  -6.276   5.453  -3.458
   52   2HG   LYS   8          2HG       LYS   8  -5.486   3.899  -3.773
   53   1HD   LYS   8          1HD       LYS   8  -7.639   3.121  -4.870
   54   2HD   LYS   8          2HD       LYS   8  -8.262   4.770  -4.688
   55   1HE   LYS   8          1HE       LYS   8  -6.391   5.635  -6.060
   56   2HE   LYS   8          2HE       LYS   8  -5.706   4.002  -6.184
   57   1HZ   LYS   8          1HZ       LYS   8  -8.321   4.824  -7.232
   58   2HZ   LYS   8          2HZ       LYS   8  -6.952   4.588  -8.117
   59   3HZ   LYS   8          3HZ       LYS   8  -7.658   3.316  -7.345
   60    HA   PRO   9           HA       PRO   9  -7.795   3.644   2.754
   61   1HB   PRO   9          1HB       PRO   9  -9.090   5.894   3.572
   62   2HB   PRO   9          2HB       PRO   9  -7.312   5.779   3.525
   63   1HG   PRO   9          1HG       PRO   9  -9.150   6.956   1.411
   64   2HG   PRO   9          2HG       PRO   9  -7.713   7.726   2.147
   65   1HD   PRO   9          1HD       PRO   9  -7.606   6.407  -0.248
   66   2HD   PRO   9          2HD       PRO   9  -6.241   6.344   0.911
   67    H    GLY  10           H        GLY  10  -9.978   3.482   3.742
   68   1HA   GLY  10          1HA       GLY  10 -12.304   3.464   3.715
   69   2HA   GLY  10          2HA       GLY  10 -12.330   3.906   2.006
   70    H    HIS  11           H        HIS  11 -10.093   1.384   2.306
   71    HA   HIS  11           HA       HIS  11 -11.881  -0.842   2.614
   72   1HB   HIS  11          1HB       HIS  11 -11.708  -1.768   0.401
   73   2HB   HIS  11          2HB       HIS  11 -12.502  -0.219   0.311
   74    HD1  HIS  11           HD1      HIS  11 -11.152   1.724  -0.985
   75    HD2  HIS  11           HD2      HIS  11  -9.258  -1.987  -0.896
   76    HE1  HIS  11           HE1      HIS  11  -9.332   1.725  -2.731
   77    H    THR  12           H        THR  12 -10.569  -2.832   1.776
   78    HA   THR  12           HA       THR  12  -7.759  -2.603   2.802
   79    HB   THR  12           HB       THR  12  -9.616  -5.000   3.145
   80    HG1  THR  12           HG1      THR  12  -9.872  -4.223   5.277
   81   1HG2  THR  12          1HG2      THR  12  -8.028  -5.548   4.998
   82   2HG2  THR  12          2HG2      THR  12  -7.210  -5.528   3.435
   83   3HG2  THR  12          3HG2      THR  12  -7.035  -4.150   4.543
   84    H    ALA  13           H        ALA  13  -6.257  -4.146   1.894
   85    HA   ALA  13           HA       ALA  13  -6.459  -4.418  -0.890
   86   1HB   ALA  13          1HB       ALA  13  -4.750  -5.950   1.130
   87   2HB   ALA  13          2HB       ALA  13  -4.489  -5.988  -0.626
   88   3HB   ALA  13          3HB       ALA  13  -4.291  -4.468   0.260
   89    H    ARG  14           H        ARG  14  -7.598  -6.497   1.622
   90    HA   ARG  14           HA       ARG  14  -7.943  -8.928   0.227
   91   1HB   ARG  14          1HB       ARG  14  -8.225  -8.425   2.672
   92   2HB   ARG  14          2HB       ARG  14  -9.740  -7.623   2.352
   93   1HG   ARG  14          1HG       ARG  14  -9.358 -10.458   1.352
   94   2HG   ARG  14          2HG       ARG  14  -9.624 -10.205   3.078
   95   1HD   ARG  14          1HD       ARG  14 -11.742  -9.190   2.767
   96   2HD   ARG  14          2HD       ARG  14 -11.558  -9.042   1.026
   97    HE   ARG  14           HE       ARG  14 -12.370 -11.380   2.535
   98   1HH1  ARG  14          1HH2      ARG  14 -10.922 -10.322  -0.554
   99   2HH1  ARG  14          2HH2      ARG  14 -11.414 -11.762  -1.401
  100   1HH2  ARG  14          1HH1      ARG  14 -12.992 -13.252   1.387
  101   2HH2  ARG  14          2HH1      ARG  14 -12.588 -13.429  -0.300
  102    H    MET  15           H        MET  15  -9.912  -6.065   0.516
  103    HA   MET  15           HA       MET  15 -12.161  -7.047  -1.072
  104   1HB   MET  15          1HB       MET  15 -11.420  -4.317   0.094
  105   2HB   MET  15          2HB       MET  15 -12.876  -4.668  -0.810
  106   1HG   MET  15          1HG       MET  15 -13.396  -6.483   0.898
  107   2HG   MET  15          2HG       MET  15 -11.975  -5.970   1.802
  108   1HE   MET  15          1HE       MET  15 -15.588  -5.084   0.647
  109   2HE   MET  15          2HE       MET  15 -15.873  -3.503   1.407
  110   3HE   MET  15          3HE       MET  15 -14.759  -3.631   0.033
  111    H    CYS  16           H        CYS  16  -9.374  -4.951  -1.499
  112    HA   CYS  16           HA       CYS  16 -10.165  -3.690  -3.885
  113   1HB   CYS  16          1HB       CYS  16  -8.515  -2.812  -2.488
  114   2HB   CYS  16          2HB       CYS  16  -7.443  -4.052  -2.655
  115    H    ARG  17           H        ARG  17 -10.182  -4.271  -5.901
  116    HA   ARG  17           HA       ARG  17  -8.942  -6.766  -6.913
  117   1HB   ARG  17          1HB       ARG  17 -11.338  -6.297  -7.214
  118   2HB   ARG  17          2HB       ARG  17 -10.960  -4.836  -8.140
  119   1HG   ARG  17          1HG       ARG  17  -9.851  -6.152  -9.871
  120   2HG   ARG  17          2HG       ARG  17 -10.043  -7.639  -8.923
  121   1HD   ARG  17          1HD       ARG  17 -12.310  -5.945 -10.084
  122   2HD   ARG  17          2HD       ARG  17 -11.678  -7.435 -10.771
  123    HE   ARG  17           HE       ARG  17 -12.581  -8.736  -9.071
  124   1HH1  ARG  17          1HH1      ARG  17 -13.451  -5.317  -8.552
  125   2HH1  ARG  17          2HH1      ARG  17 -14.766  -5.706  -7.476
  126   1HH2  ARG  17          1HH2      ARG  17 -14.288  -9.199  -7.653
  127   2HH2  ARG  17          2HH2      ARG  17 -15.233  -7.911  -6.953
  128    H    GLN  18           H        GLN  18  -8.653  -3.306  -6.965
  129    HA   GLN  18           HA       GLN  18  -7.590  -2.665  -9.394
  130   1HB   GLN  18          1HB       GLN  18  -6.540  -1.405  -6.918
  131   2HB   GLN  18          2HB       GLN  18  -6.778  -0.688  -8.475
  132   1HG   GLN  18          1HG       GLN  18  -9.147  -0.769  -8.352
  133   2HG   GLN  18          2HG       GLN  18  -9.099  -1.545  -6.757
  134   1HE2  GLN  18          2HE2      GLN  18  -9.943  -0.048  -5.374
  135   2HE2  GLN  18          1HE2      GLN  18  -9.323   1.578  -5.191
  136    HA   PRO  19           HA       PRO  19  -3.395  -4.173  -9.724
  137   1HB   PRO  19          1HB       PRO  19  -2.746  -1.282 -10.354
  138   2HB   PRO  19          2HB       PRO  19  -2.220  -2.753 -11.222
  139   1HG   PRO  19          1HG       PRO  19  -4.267  -1.249 -12.197
  140   2HG   PRO  19          2HG       PRO  19  -4.412  -3.034 -12.170
  141   1HD   PRO  19          1HD       PRO  19  -5.636  -1.063 -10.213
  142   2HD   PRO  19          2HD       PRO  19  -6.337  -2.487 -10.926
  143    H    ARG  20           H        ARG  20  -1.333  -4.077  -8.670
  144    HA   ARG  20           HA       ARG  20  -1.386  -2.832  -6.011
  145   1HB   ARG  20          1HB       ARG  20   0.412  -4.286  -5.501
  146   2HB   ARG  20          2HB       ARG  20  -0.671  -5.242  -6.522
  147   1HG   ARG  20          1HG       ARG  20   0.788  -4.584  -8.505
  148   2HG   ARG  20          2HG       ARG  20   1.947  -3.913  -7.368
  149   1HD   ARG  20          1HD       ARG  20   1.018  -6.806  -7.476
  150   2HD   ARG  20          2HD       ARG  20   2.601  -6.198  -7.973
  151    HE   ARG  20           HE       ARG  20   1.667  -6.785  -5.292
  152   1HH1  ARG  20          1HH1      ARG  20   4.045  -4.821  -7.109
  153   2HH1  ARG  20          2HH1      ARG  20   4.827  -4.268  -5.654
  154   1HH2  ARG  20          1HH2      ARG  20   2.831  -6.137  -3.438
  155   2HH2  ARG  20          2HH2      ARG  20   4.207  -5.075  -3.591
  156    H    GLN  21           H        GLN  21   0.906  -2.086  -5.303
  157    HA   GLN  21           HA       GLN  21   2.128  -0.272  -7.312
  158   1HB   GLN  21          1HB       GLN  21   0.903   0.946  -5.622
  159   2HB   GLN  21          2HB       GLN  21   1.760   0.076  -4.334
  160   1HG   GLN  21          1HG       GLN  21   2.652   2.394  -4.729
  161   2HG   GLN  21          2HG       GLN  21   3.850   1.110  -4.873
  162   1HE2  GLN  21          2HE2      GLN  21   1.451   2.808  -6.997
  163   2HE2  GLN  21          1HE2      GLN  21   2.558   3.028  -8.336
  164    H    GLU  22           H        GLU  22   4.252  -0.363  -7.518
  165    HA   GLU  22           HA       GLU  22   5.698  -2.645  -6.625
  166   1HB   GLU  22          1HB       GLU  22   5.928  -0.238  -8.513
  167   2HB   GLU  22          2HB       GLU  22   7.262  -1.278  -8.209
  168   1HG   GLU  22          1HG       GLU  22   4.490  -2.073  -9.264
  169   2HG   GLU  22          2HG       GLU  22   5.961  -1.991 -10.218
  170    H    GLY  23           H        GLY  23   6.020   0.873  -6.334
  171   1HA   GLY  23          1HA       GLY  23   8.272   0.687  -4.466
  172   2HA   GLY  23          2HA       GLY  23   7.417   2.129  -5.051
  173    H    CYS  24           H        CYS  24   7.279   2.883  -2.960
  174    HA   CYS  24           HA       CYS  24   5.549   1.476  -0.962
  175   1HB   CYS  24          1HB       CYS  24   7.821   2.388  -0.265
  176   2HB   CYS  24          2HB       CYS  24   7.188   3.987  -0.551
  177    H    TRP  25           H        TRP  25   3.425   1.939  -1.287
  178    HA   TRP  25           HA       TRP  25   2.552   4.247  -2.771
  179   1HB   TRP  25          1HB       TRP  25   0.306   3.362  -2.237
  180   2HB   TRP  25          2HB       TRP  25   1.370   2.163  -2.874
  181    HD1  TRP  25           HD1      TRP  25   1.394  -0.028  -1.755
  182    HE1  TRP  25           HE1      TRP  25   0.563  -1.006   0.526
  183    HE3  TRP  25           HE3      TRP  25  -0.221   4.227   0.333
  184    HZ2  TRP  25           HZ2      TRP  25  -0.661   0.022   2.915
  185    HZ3  TRP  25           HZ3      TRP  25  -0.817   4.309   2.780
  186    HH2  TRP  25           HH2      TRP  25  -1.215   2.171   4.014
  187    H    ASN  26           H        ASN  26   3.065   3.502   0.568
  188    HA   ASN  26           HA       ASN  26   1.319   5.499   1.732
  189   1HB   ASN  26          1HB       ASN  26   1.682   3.852   3.230
  190   2HB   ASN  26          2HB       ASN  26   3.153   3.331   2.532
  191   1HD2  ASN  26          2HD2      ASN  26   4.890   3.452   3.890
  192   2HD2  ASN  26          1HD2      ASN  26   5.045   4.637   5.156
  193    H    CYS  27           H        CYS  27   4.759   5.097   1.684
  194    HA   CYS  27           HA       CYS  27   5.158   7.951   2.316
  195   1HB   CYS  27          1HB       CYS  27   6.925   7.399   3.411
  196   2HB   CYS  27          2HB       CYS  27   6.320   5.789   3.358
  197    H    GLY  28           H        GLY  28   5.229   6.086  -0.568
  198   1HA   GLY  28          1HA       GLY  28   5.299   7.021  -2.686
  199   2HA   GLY  28          2HA       GLY  28   5.949   8.519  -2.041
  200    H    SER  29           H        SER  29   7.724   5.715  -1.027
  201    HA   SER  29           HA       SER  29  10.045   6.415  -2.554
  202   1HB   SER  29          1HB       SER  29   9.921   5.273  -0.245
  203   2HB   SER  29          2HB       SER  29   9.565   3.781  -1.103
  204    HG   SER  29           HG       SER  29  11.877   5.389  -1.392
  205    H    LYS  30           H        LYS  30  11.196   4.802  -3.831
  206    HA   LYS  30           HA       LYS  30   9.565   3.082  -5.605
  207   1HB   LYS  30          1HB       LYS  30  11.130   3.665  -7.289
  208   2HB   LYS  30          2HB       LYS  30  10.436   5.120  -6.598
  209   1HG   LYS  30          1HG       LYS  30  12.591   5.791  -6.863
  210   2HG   LYS  30          2HG       LYS  30  12.630   5.274  -5.194
  211   1HD   LYS  30          1HD       LYS  30  14.632   4.608  -6.427
  212   2HD   LYS  30          2HD       LYS  30  13.792   3.188  -5.836
  213   1HE   LYS  30          1HE       LYS  30  14.685   2.904  -8.114
  214   2HE   LYS  30          2HE       LYS  30  12.941   2.664  -8.055
  215   1HZ   LYS  30          1HZ       LYS  30  14.308   5.119  -8.927
  216   2HZ   LYS  30          2HZ       LYS  30  13.613   3.998  -9.914
  217   3HZ   LYS  30          3HZ       LYS  30  12.674   4.890  -8.897
  218    H    GLU  31           H        GLU  31  12.212   3.360  -3.412
  219    HA   GLU  31           HA       GLU  31  13.891   1.235  -4.245
  220   1HB   GLU  31          1HB       GLU  31  13.525   2.501  -1.487
  221   2HB   GLU  31          2HB       GLU  31  14.932   1.607  -2.069
  222   1HG   GLU  31          1HG       GLU  31  15.232   3.398  -3.826
  223   2HG   GLU  31          2HG       GLU  31  13.913   4.312  -3.091
  224    H    HIS  32           H        HIS  32  11.415   1.561  -1.774
  225    HA   HIS  32           HA       HIS  32  11.239  -1.412  -1.395
  226   1HB   HIS  32          1HB       HIS  32  11.013  -1.046   0.995
  227   2HB   HIS  32          2HB       HIS  32  12.518  -0.375   0.436
  228    HD1  HIS  32           HD1      HIS  32  12.615   2.375   0.406
  229    HD2  HIS  32           HD2      HIS  32   9.116   0.750   1.947
  230    HE1  HIS  32           HE1      HIS  32  11.238   4.237   1.393
  231    H    ARG  33           H        ARG  33   9.255  -1.862   0.029
  232    HA   ARG  33           HA       ARG  33   6.875  -0.508  -1.127
  233   1HB   ARG  33          1HB       ARG  33   7.388  -3.343  -0.191
  234   2HB   ARG  33          2HB       ARG  33   5.824  -2.737  -0.672
  235   1HG   ARG  33          1HG       ARG  33   6.510  -2.220  -2.873
  236   2HG   ARG  33          2HG       ARG  33   8.217  -2.589  -2.548
  237   1HD   ARG  33          1HD       ARG  33   7.700  -4.943  -2.257
  238   2HD   ARG  33          2HD       ARG  33   5.964  -4.624  -2.474
  239    HE   ARG  33           HE       ARG  33   7.264  -3.556  -4.722
  240   1HH1  ARG  33          1HH2      ARG  33   6.899  -6.777  -3.282
  241   2HH1  ARG  33          2HH2      ARG  33   6.992  -7.612  -4.812
  242   1HH2  ARG  33          1HH1      ARG  33   7.339  -4.681  -6.765
  243   2HH2  ARG  33          2HH1      ARG  33   7.263  -6.415  -6.775
  244    H    PHE  34           H        PHE  34   4.915  -0.755   0.176
  245    HA   PHE  34           HA       PHE  34   5.215   0.675   2.620
  246   1HB   PHE  34          1HB       PHE  34   3.179   1.083   1.663
  247   2HB   PHE  34          2HB       PHE  34   2.939  -0.541   1.152
  248    HD1  PHE  34           HD1      PHE  34   1.803  -2.174   2.584
  249    HD2  PHE  34           HD2      PHE  34   2.927   1.675   4.172
  250    HE1  PHE  34           HE1      PHE  34   0.430  -2.593   4.604
  251    HE2  PHE  34           HE2      PHE  34   1.461   1.301   6.124
  252    HZ   PHE  34           HZ       PHE  34   0.159  -0.810   6.318
  253    H    ALA  35           H        ALA  35   4.762  -2.827   2.066
  254    HA   ALA  35           HA       ALA  35   4.464  -3.634   4.744
  255   1HB   ALA  35          1HB       ALA  35   4.099  -5.108   2.807
  256   2HB   ALA  35          2HB       ALA  35   5.837  -5.070   2.434
  257   3HB   ALA  35          3HB       ALA  35   5.264  -5.826   3.938
  258    H    GLN  36           H        GLN  36   7.397  -2.925   2.881
  259    HA   GLN  36           HA       GLN  36   9.289  -3.768   4.893
  260   1HB   GLN  36          1HB       GLN  36   9.542  -1.984   2.441
  261   2HB   GLN  36          2HB       GLN  36  10.884  -2.583   3.386
  262   1HG   GLN  36          1HG       GLN  36  10.292  -4.911   2.787
  263   2HG   GLN  36          2HG       GLN  36   8.861  -4.345   1.916
  264   1HE2  GLN  36          2HE2      GLN  36  12.450  -3.989   1.967
  265   2HE2  GLN  36          1HE2      GLN  36  12.601  -3.723   0.243
  266    H    CYS  37           H        CYS  37   7.789  -0.723   3.891
  267    HA   CYS  37           HA       CYS  37   9.472   1.070   5.237
  268   1HB   CYS  37          1HB       CYS  37   7.859   1.545   3.402
  269   2HB   CYS  37          2HB       CYS  37   6.563   1.398   4.468
  270    HA   PRO  38           HA       PRO  38   8.083   0.511   9.530
  271   1HB   PRO  38          1HB       PRO  38   8.959   3.414   9.626
  272   2HB   PRO  38          2HB       PRO  38   9.258   2.125  10.825
  273   1HG   PRO  38          1HG       PRO  38  11.209   2.821   9.078
  274   2HG   PRO  38          2HG       PRO  38  10.874   1.089   9.380
  275   1HD   PRO  38          1HD       PRO  38   9.972   2.770   7.025
  276   2HD   PRO  38          2HD       PRO  38  10.624   1.103   7.080
  277    H    LYS  39           H        LYS  39   7.279   3.311   7.540
  278    HA   LYS  39           HA       LYS  39   4.810   4.007   8.993
  279   1HB   LYS  39          1HB       LYS  39   6.350   5.120   6.617
  280   2HB   LYS  39          2HB       LYS  39   4.728   5.685   7.004
  281   1HG   LYS  39          1HG       LYS  39   5.458   6.310   9.277
  282   2HG   LYS  39          2HG       LYS  39   7.099   5.728   8.917
  283   1HD   LYS  39          1HD       LYS  39   7.341   7.424   7.143
  284   2HD   LYS  39          2HD       LYS  39   5.654   7.922   7.359
  285   1HE   LYS  39          1HE       LYS  39   7.131   9.524   8.451
  286   2HE   LYS  39          2HE       LYS  39   6.134   8.691   9.654
  287   1HZ   LYS  39          1HZ       LYS  39   8.929   8.048   9.008
  288   2HZ   LYS  39          2HZ       LYS  39   8.412   8.880  10.333
  289   3HZ   LYS  39          3HZ       LYS  39   8.006   7.295  10.150
  Start of MODEL   11
    1   1H    LEU   1          1H        LEU   1  -8.654   1.200   9.292
    2   2H    LEU   1          2H        LEU   1  -7.191   1.413   8.491
    3   3H    LEU   1          3H        LEU   1  -8.350   2.631   8.463
    4    HA   LEU   1           HA       LEU   1  -8.582  -0.042   7.275
    5   1HB   LEU   1          1HB       LEU   1 -10.732   0.726   8.101
    6   2HB   LEU   1          2HB       LEU   1 -10.523   2.298   7.322
    7    HG   LEU   1           HG       LEU   1 -10.646   1.238   5.086
    8   1HD1  LEU   1          1HD2      LEU   1 -11.041  -1.344   6.661
    9   2HD1  LEU   1          2HD2      LEU   1 -11.382  -1.149   4.931
   10   3HD1  LEU   1          3HD2      LEU   1  -9.724  -0.977   5.520
   11   1HD2  LEU   1          1HD1      LEU   1 -12.696   2.040   6.183
   12   2HD2  LEU   1          2HD1      LEU   1 -13.020   0.621   5.172
   13   3HD2  LEU   1          3HD1      LEU   1 -12.928   0.447   6.937
   14    H    THR   2           H        THR   2  -6.879   0.019   5.803
   15    HA   THR   2           HA       THR   2  -7.315   1.765   3.567
   16    HB   THR   2           HB       THR   2  -5.858   3.214   4.960
   17    HG1  THR   2           HG1      THR   2  -4.424   2.193   2.749
   18   1HG2  THR   2          1HG2      THR   2  -3.526   2.625   5.388
   19   2HG2  THR   2          2HG2      THR   2  -4.587   1.448   6.182
   20   3HG2  THR   2          3HG2      THR   2  -3.752   1.020   4.672
   21    H    CYS   3           H        CYS   3  -6.526   1.099   1.687
   22    HA   CYS   3           HA       CYS   3  -6.258  -1.695   1.430
   23   1HB   CYS   3          1HB       CYS   3  -7.371  -0.194  -0.167
   24   2HB   CYS   3          2HB       CYS   3  -5.829   0.494  -0.628
   25    H    PHE   4           H        PHE   4  -4.484  -2.933   1.582
   26    HA   PHE   4           HA       PHE   4  -1.796  -1.785   1.636
   27   1HB   PHE   4          1HB       PHE   4  -2.676  -4.660   1.994
   28   2HB   PHE   4          2HB       PHE   4  -1.207  -3.891   2.574
   29    HD1  PHE   4           HD1      PHE   4  -4.229  -5.189   3.665
   30    HD2  PHE   4           HD2      PHE   4  -1.820  -1.641   4.118
   31    HE1  PHE   4           HE1      PHE   4  -5.314  -4.718   5.839
   32    HE2  PHE   4           HE2      PHE   4  -2.924  -1.165   6.277
   33    HZ   PHE   4           HZ       PHE   4  -4.680  -2.700   7.142
   34    H    ASN   5           H        ASN   5  -3.233  -1.804  -0.940
   35    HA   ASN   5           HA       ASN   5  -1.390  -3.467  -2.583
   36   1HB   ASN   5          1HB       ASN   5  -3.317  -4.835  -2.377
   37   2HB   ASN   5          2HB       ASN   5  -4.429  -3.497  -2.615
   38   1HD2  ASN   5          2HD2      ASN   5  -4.915  -2.743  -4.753
   39   2HD2  ASN   5          1HD2      ASN   5  -4.382  -3.644  -6.145
   40    H    CYS   6           H        CYS   6  -4.222  -1.287  -3.199
   41    HA   CYS   6           HA       CYS   6  -2.638   0.208  -5.127
   42   1HB   CYS   6          1HB       CYS   6  -4.621   1.104  -5.839
   43   2HB   CYS   6          2HB       CYS   6  -4.951  -0.599  -5.602
   44    H    GLY   7           H        GLY   7  -3.312   0.418  -1.763
   45   1HA   GLY   7          1HA       GLY   7  -2.493   1.901  -0.270
   46   2HA   GLY   7          2HA       GLY   7  -1.885   2.896  -1.596
   47    H    LYS   8           H        LYS   8  -5.366   2.276  -1.709
   48    HA   LYS   8           HA       LYS   8  -5.869   5.056  -1.123
   49   1HB   LYS   8          1HB       LYS   8  -7.280   2.714  -2.421
   50   2HB   LYS   8          2HB       LYS   8  -7.902   4.314  -2.297
   51   1HG   LYS   8          1HG       LYS   8  -5.356   3.514  -3.762
   52   2HG   LYS   8          2HG       LYS   8  -6.905   3.852  -4.530
   53   1HD   LYS   8          1HD       LYS   8  -6.788   6.188  -3.921
   54   2HD   LYS   8          2HD       LYS   8  -5.305   5.951  -2.983
   55   1HE   LYS   8          1HE       LYS   8  -5.500   5.356  -5.958
   56   2HE   LYS   8          2HE       LYS   8  -4.936   6.889  -5.276
   57   1HZ   LYS   8          1HZ       LYS   8  -3.679   4.276  -4.768
   58   2HZ   LYS   8          2HZ       LYS   8  -3.124   5.448  -5.783
   59   3HZ   LYS   8          3HZ       LYS   8  -3.194   5.727  -4.164
   60    HA   PRO   9           HA       PRO   9  -7.587   3.692   2.846
   61   1HB   PRO   9          1HB       PRO   9  -8.653   6.511   2.689
   62   2HB   PRO   9          2HB       PRO   9  -7.971   5.656   4.105
   63   1HG   PRO   9          1HG       PRO   9  -6.435   7.413   2.737
   64   2HG   PRO   9          2HG       PRO   9  -5.750   5.824   3.198
   65   1HD   PRO   9          1HD       PRO   9  -6.896   6.645   0.512
   66   2HD   PRO   9          2HD       PRO   9  -5.374   5.781   0.897
   67    H    GLY  10           H        GLY  10  -9.762   3.452   3.780
   68   1HA   GLY  10          1HA       GLY  10 -12.095   3.684   3.778
   69   2HA   GLY  10          2HA       GLY  10 -12.099   4.115   2.068
   70    H    HIS  11           H        HIS  11 -10.043   1.526   2.147
   71    HA   HIS  11           HA       HIS  11 -11.903  -0.647   2.574
   72   1HB   HIS  11          1HB       HIS  11 -11.940  -1.540   0.368
   73   2HB   HIS  11          2HB       HIS  11 -12.611   0.069   0.318
   74    HD1  HIS  11           HD1      HIS  11 -11.150   1.910  -1.029
   75    HD2  HIS  11           HD2      HIS  11  -9.639  -1.956  -1.088
   76    HE1  HIS  11           HE1      HIS  11  -9.405   1.774  -2.846
   77    H    THR  12           H        THR  12 -10.718  -2.671   1.596
   78    HA   THR  12           HA       THR  12  -7.905  -2.599   2.642
   79    HB   THR  12           HB       THR  12  -9.868  -4.901   2.966
   80    HG1  THR  12           HG1      THR  12 -10.659  -3.088   4.067
   81   1HG2  THR  12          1HG2      THR  12  -8.336  -5.510   4.833
   82   2HG2  THR  12          2HG2      THR  12  -7.472  -5.505   3.293
   83   3HG2  THR  12          3HG2      THR  12  -7.291  -4.140   4.414
   84    H    ALA  13           H        ALA  13  -6.451  -4.151   1.737
   85    HA   ALA  13           HA       ALA  13  -6.607  -4.547  -1.055
   86   1HB   ALA  13          1HB       ALA  13  -4.967  -6.016   1.060
   87   2HB   ALA  13          2HB       ALA  13  -4.679  -6.106  -0.690
   88   3HB   ALA  13          3HB       ALA  13  -4.476  -4.564   0.159
   89    H    ARG  14           H        ARG  14  -7.793  -6.500   1.572
   90    HA   ARG  14           HA       ARG  14  -8.239  -8.990   0.352
   91   1HB   ARG  14          1HB       ARG  14  -8.541  -8.252   2.751
   92   2HB   ARG  14          2HB       ARG  14 -10.025  -7.447   2.295
   93   1HG   ARG  14          1HG       ARG  14 -11.001  -9.612   1.549
   94   2HG   ARG  14          2HG       ARG  14  -9.477 -10.435   1.947
   95   1HD   ARG  14          1HD       ARG  14  -9.735  -9.783   4.315
   96   2HD   ARG  14          2HD       ARG  14 -11.254  -8.944   3.926
   97    HE   ARG  14           HE       ARG  14 -11.465 -11.604   2.995
   98   1HH1  ARG  14          1HH1      ARG  14 -11.214  -9.894   6.096
   99   2HH1  ARG  14          2HH1      ARG  14 -12.084 -11.117   6.985
  100   1HH2  ARG  14          1HH2      ARG  14 -12.604 -13.203   4.174
  101   2HH2  ARG  14          2HH2      ARG  14 -12.877 -13.008   5.885
  102    H    MET  15           H        MET  15 -10.111  -6.012   0.407
  103    HA   MET  15           HA       MET  15 -12.337  -7.025  -1.188
  104   1HB   MET  15          1HB       MET  15 -11.639  -4.235  -0.162
  105   2HB   MET  15          2HB       MET  15 -13.183  -4.733  -0.837
  106   1HG   MET  15          1HG       MET  15 -11.937  -5.892   1.699
  107   2HG   MET  15          2HG       MET  15 -13.140  -4.625   1.639
  108   1HE   MET  15          1HE       MET  15 -14.571  -6.022   3.382
  109   2HE   MET  15          2HE       MET  15 -15.064  -7.711   3.124
  110   3HE   MET  15          3HE       MET  15 -13.346  -7.314   3.360
  111    H    CYS  16           H        CYS  16  -9.403  -5.140  -1.686
  112    HA   CYS  16           HA       CYS  16 -10.215  -3.803  -4.036
  113   1HB   CYS  16          1HB       CYS  16  -8.368  -3.231  -2.459
  114   2HB   CYS  16          2HB       CYS  16  -7.361  -4.435  -3.260
  115    H    ARG  17           H        ARG  17 -10.429  -4.492  -6.036
  116    HA   ARG  17           HA       ARG  17  -9.469  -7.097  -6.991
  117   1HB   ARG  17          1HB       ARG  17 -11.695  -6.415  -7.538
  118   2HB   ARG  17          2HB       ARG  17 -11.166  -4.854  -8.175
  119   1HG   ARG  17          1HG       ARG  17 -10.026  -7.340  -9.427
  120   2HG   ARG  17          2HG       ARG  17 -11.727  -6.956  -9.731
  121   1HD   ARG  17          1HD       ARG  17 -11.215  -4.799 -10.643
  122   2HD   ARG  17          2HD       ARG  17  -9.500  -4.942 -10.282
  123    HE   ARG  17           HE       ARG  17 -10.958  -6.089 -12.501
  124   1HH1  ARG  17          1HH1      ARG  17  -8.056  -6.557 -10.479
  125   2HH1  ARG  17          2HH1      ARG  17  -7.178  -7.379 -11.740
  126   1HH2  ARG  17          1HH2      ARG  17  -9.789  -7.196 -14.113
  127   2HH2  ARG  17          2HH2      ARG  17  -8.169  -7.762 -13.800
  128    H    GLN  18           H        GLN  18  -8.849  -3.666  -7.439
  129    HA   GLN  18           HA       GLN  18  -7.454  -3.523  -9.757
  130   1HB   GLN  18          1HB       GLN  18  -6.688  -1.936  -7.300
  131   2HB   GLN  18          2HB       GLN  18  -6.534  -1.474  -8.994
  132   1HG   GLN  18          1HG       GLN  18  -9.071  -1.666  -9.155
  133   2HG   GLN  18          2HG       GLN  18  -9.078  -1.721  -7.376
  134   1HE2  GLN  18          2HE2      GLN  18  -6.947   0.115  -6.839
  135   2HE2  GLN  18          1HE2      GLN  18  -7.503   1.707  -7.313
  136    HA   PRO  19           HA       PRO  19  -3.349  -5.296  -9.260
  137   1HB   PRO  19          1HB       PRO  19  -2.481  -2.729 -10.619
  138   2HB   PRO  19          2HB       PRO  19  -1.979  -4.402 -10.995
  139   1HG   PRO  19          1HG       PRO  19  -3.837  -3.129 -12.524
  140   2HG   PRO  19          2HG       PRO  19  -4.058  -4.845 -12.070
  141   1HD   PRO  19          1HD       PRO  19  -5.447  -2.430 -10.875
  142   2HD   PRO  19          2HD       PRO  19  -6.030  -4.076 -11.228
  143    H    ARG  20           H        ARG  20  -1.219  -4.771  -8.228
  144    HA   ARG  20           HA       ARG  20  -1.512  -2.962  -5.953
  145   1HB   ARG  20          1HB       ARG  20   0.481  -3.945  -5.129
  146   2HB   ARG  20          2HB       ARG  20  -0.444  -5.258  -5.863
  147   1HG   ARG  20          1HG       ARG  20   0.931  -4.994  -7.945
  148   2HG   ARG  20          2HG       ARG  20   1.947  -3.819  -7.122
  149   1HD   ARG  20          1HD       ARG  20   1.515  -6.676  -6.166
  150   2HD   ARG  20          2HD       ARG  20   2.911  -6.134  -7.096
  151    HE   ARG  20           HE       ARG  20   2.318  -5.648  -4.269
  152   1HH1  ARG  20          1HH1      ARG  20   4.298  -4.574  -7.030
  153   2HH1  ARG  20          2HH1      ARG  20   5.305  -3.544  -6.039
  154   1HH2  ARG  20          1HH2      ARG  20   3.672  -4.301  -3.017
  155   2HH2  ARG  20          2HH2      ARG  20   4.954  -3.394  -3.783
  156    H    GLN  21           H        GLN  21   0.650  -1.838  -5.390
  157    HA   GLN  21           HA       GLN  21   1.462  -0.013  -7.609
  158   1HB   GLN  21          1HB       GLN  21   0.345   1.135  -5.788
  159   2HB   GLN  21          2HB       GLN  21   1.431   0.380  -4.601
  160   1HG   GLN  21          1HG       GLN  21   2.046   2.730  -5.059
  161   2HG   GLN  21          2HG       GLN  21   3.339   1.611  -5.489
  162   1HE2  GLN  21          2HE2      GLN  21   4.370   2.622  -7.201
  163   2HE2  GLN  21          1HE2      GLN  21   3.557   3.162  -8.654
  164    H    GLU  22           H        GLU  22   3.656   0.191  -7.978
  165    HA   GLU  22           HA       GLU  22   5.256  -1.998  -7.803
  166   1HB   GLU  22          1HB       GLU  22   5.525   0.967  -8.426
  167   2HB   GLU  22          2HB       GLU  22   6.877  -0.114  -8.485
  168   1HG   GLU  22          1HG       GLU  22   5.889   0.140 -10.701
  169   2HG   GLU  22          2HG       GLU  22   5.799  -1.540 -10.151
  170    H    GLY  23           H        GLY  23   5.920   1.118  -6.237
  171   1HA   GLY  23          1HA       GLY  23   7.787  -0.146  -4.315
  172   2HA   GLY  23          2HA       GLY  23   7.638   1.559  -4.737
  173    H    CYS  24           H        CYS  24   7.420   2.340  -2.712
  174    HA   CYS  24           HA       CYS  24   5.475   1.300  -0.780
  175   1HB   CYS  24          1HB       CYS  24   7.802   2.122  -0.217
  176   2HB   CYS  24          2HB       CYS  24   7.262   3.743  -0.582
  177    H    TRP  25           H        TRP  25   3.429   1.735  -1.362
  178    HA   TRP  25           HA       TRP  25   2.535   4.109  -2.720
  179   1HB   TRP  25          1HB       TRP  25   0.317   3.169  -2.255
  180   2HB   TRP  25          2HB       TRP  25   1.413   1.986  -2.870
  181    HD1  TRP  25           HD1      TRP  25   1.466  -0.200  -1.740
  182    HE1  TRP  25           HE1      TRP  25   0.595  -1.201   0.521
  183    HE3  TRP  25           HE3      TRP  25  -0.367   4.003   0.265
  184    HZ2  TRP  25           HZ2      TRP  25  -0.652  -0.186   2.909
  185    HZ3  TRP  25           HZ3      TRP  25  -1.329   4.046   2.599
  186    HH2  TRP  25           HH2      TRP  25  -1.490   1.934   3.897
  187    H    ASN  26           H        ASN  26   3.097   3.230   0.607
  188    HA   ASN  26           HA       ASN  26   1.272   5.056   1.866
  189   1HB   ASN  26          1HB       ASN  26   1.629   3.401   3.320
  190   2HB   ASN  26          2HB       ASN  26   3.040   2.841   2.500
  191   1HD2  ASN  26          2HD2      ASN  26   4.799   2.701   3.716
  192   2HD2  ASN  26          1HD2      ASN  26   5.306   3.772   4.942
  193    H    CYS  27           H        CYS  27   4.805   4.956   1.517
  194    HA   CYS  27           HA       CYS  27   4.951   7.771   2.429
  195   1HB   CYS  27          1HB       CYS  27   6.714   7.244   3.558
  196   2HB   CYS  27          2HB       CYS  27   6.210   5.605   3.397
  197    H    GLY  28           H        GLY  28   5.249   5.880  -0.475
  198   1HA   GLY  28          1HA       GLY  28   5.293   6.808  -2.597
  199   2HA   GLY  28          2HA       GLY  28   5.745   8.374  -1.939
  200    H    SER  29           H        SER  29   7.617   5.534  -1.059
  201    HA   SER  29           HA       SER  29   9.971   6.516  -2.546
  202   1HB   SER  29          1HB       SER  29  10.236   5.910  -0.190
  203   2HB   SER  29          2HB       SER  29   9.594   4.283  -0.523
  204    HG   SER  29           HG       SER  29  11.379   3.880  -1.801
  205    H    LYS  30           H        LYS  30  11.103   5.148  -3.954
  206    HA   LYS  30           HA       LYS  30   9.516   3.133  -5.418
  207   1HB   LYS  30          1HB       LYS  30  11.026   3.629  -7.206
  208   2HB   LYS  30          2HB       LYS  30  10.354   5.127  -6.548
  209   1HG   LYS  30          1HG       LYS  30  12.525   5.524  -5.337
  210   2HG   LYS  30          2HG       LYS  30  13.154   4.021  -6.031
  211   1HD   LYS  30          1HD       LYS  30  14.010   5.831  -7.300
  212   2HD   LYS  30          2HD       LYS  30  12.858   4.947  -8.314
  213   1HE   LYS  30          1HE       LYS  30  11.152   6.695  -7.936
  214   2HE   LYS  30          2HE       LYS  30  12.220   7.517  -6.780
  215   1HZ   LYS  30          1HZ       LYS  30  12.751   7.131  -9.641
  216   2HZ   LYS  30          2HZ       LYS  30  12.260   8.532  -8.925
  217   3HZ   LYS  30          3HZ       LYS  30  13.742   7.905  -8.574
  218    H    GLU  31           H        GLU  31  12.361   3.522  -3.425
  219    HA   GLU  31           HA       GLU  31  13.943   1.348  -4.337
  220   1HB   GLU  31          1HB       GLU  31  13.829   2.818  -1.664
  221   2HB   GLU  31          2HB       GLU  31  15.123   1.727  -2.176
  222   1HG   GLU  31          1HG       GLU  31  15.667   3.208  -4.068
  223   2HG   GLU  31          2HG       GLU  31  14.352   4.308  -3.619
  224    H    HIS  32           H        HIS  32  11.648   1.749  -1.700
  225    HA   HIS  32           HA       HIS  32  11.495  -1.222  -1.290
  226   1HB   HIS  32          1HB       HIS  32  11.219  -0.860   1.072
  227   2HB   HIS  32          2HB       HIS  32  12.708  -0.131   0.554
  228    HD1  HIS  32           HD1      HIS  32  12.713   2.614   0.550
  229    HD2  HIS  32           HD2      HIS  32   9.272   0.862   2.116
  230    HE1  HIS  32           HE1      HIS  32  11.318   4.402   1.659
  231    H    ARG  33           H        ARG  33   9.467  -1.670   0.106
  232    HA   ARG  33           HA       ARG  33   7.117  -0.311  -1.076
  233   1HB   ARG  33          1HB       ARG  33   7.372  -3.157  -0.164
  234   2HB   ARG  33          2HB       ARG  33   6.057  -2.424  -1.013
  235   1HG   ARG  33          1HG       ARG  33   7.263  -2.039  -3.012
  236   2HG   ARG  33          2HG       ARG  33   8.798  -2.595  -2.327
  237   1HD   ARG  33          1HD       ARG  33   8.130  -4.833  -2.247
  238   2HD   ARG  33          2HD       ARG  33   6.414  -4.445  -2.458
  239    HE   ARG  33           HE       ARG  33   7.648  -3.414  -4.722
  240   1HH1  ARG  33          1HH2      ARG  33   7.294  -6.637  -3.274
  241   2HH1  ARG  33          2HH2      ARG  33   7.395  -7.471  -4.803
  242   1HH2  ARG  33          1HH1      ARG  33   7.832  -4.517  -6.706
  243   2HH2  ARG  33          2HH1      ARG  33   7.697  -6.255  -6.770
  244    H    PHE  34           H        PHE  34   5.139  -0.925   0.155
  245    HA   PHE  34           HA       PHE  34   5.281   0.548   2.615
  246   1HB   PHE  34          1HB       PHE  34   3.255   0.802   1.610
  247   2HB   PHE  34          2HB       PHE  34   3.122  -0.827   1.074
  248    HD1  PHE  34           HD1      PHE  34   3.036   1.231   4.228
  249    HD2  PHE  34           HD2      PHE  34   1.849  -2.445   2.310
  250    HE1  PHE  34           HE1      PHE  34   1.630   0.673   6.176
  251    HE2  PHE  34           HE2      PHE  34   0.504  -3.037   4.304
  252    HZ   PHE  34           HZ       PHE  34   0.356  -1.464   6.222
  253    H    ALA  35           H        ALA  35   4.933  -2.884   1.951
  254    HA   ALA  35           HA       ALA  35   4.709  -3.886   4.571
  255   1HB   ALA  35          1HB       ALA  35   4.439  -5.264   2.545
  256   2HB   ALA  35          2HB       ALA  35   6.175  -5.107   2.194
  257   3HB   ALA  35          3HB       ALA  35   5.635  -5.982   3.643
  258    H    GLN  36           H        GLN  36   7.599  -2.857   2.799
  259    HA   GLN  36           HA       GLN  36   9.500  -3.736   4.796
  260   1HB   GLN  36          1HB       GLN  36   9.735  -1.882   2.403
  261   2HB   GLN  36          2HB       GLN  36  11.082  -2.511   3.337
  262   1HG   GLN  36          1HG       GLN  36  10.513  -4.813   2.656
  263   2HG   GLN  36          2HG       GLN  36   9.080  -4.235   1.797
  264   1HE2  GLN  36          2HE2      GLN  36  12.662  -3.780   1.879
  265   2HE2  GLN  36          1HE2      GLN  36  12.813  -3.488   0.159
  266    H    CYS  37           H        CYS  37   7.852  -0.715   3.938
  267    HA   CYS  37           HA       CYS  37   9.519   1.040   5.429
  268   1HB   CYS  37          1HB       CYS  37   7.867   1.577   3.520
  269   2HB   CYS  37          2HB       CYS  37   6.610   1.390   4.595
  270    HA   PRO  38           HA       PRO  38   7.778   0.232   9.536
  271   1HB   PRO  38          1HB       PRO  38   8.396   2.572  10.832
  272   2HB   PRO  38          2HB       PRO  38   9.604   1.341  10.375
  273   1HG   PRO  38          1HG       PRO  38   8.932   3.855   8.851
  274   2HG   PRO  38          2HG       PRO  38  10.547   3.263   9.338
  275   1HD   PRO  38          1HD       PRO  38   9.564   2.790   6.872
  276   2HD   PRO  38          2HD       PRO  38  10.490   1.519   7.705
  277    H    LYS  39           H        LYS  39   7.110   3.160   7.695
  278    HA   LYS  39           HA       LYS  39   4.635   3.898   8.966
  279   1HB   LYS  39          1HB       LYS  39   6.505   4.750   6.790
  280   2HB   LYS  39          2HB       LYS  39   4.887   5.036   6.409
  281   1HG   LYS  39          1HG       LYS  39   6.310   5.981   8.936
  282   2HG   LYS  39          2HG       LYS  39   6.023   6.965   7.500
  283   1HD   LYS  39          1HD       LYS  39   3.905   5.960   9.461
  284   2HD   LYS  39          2HD       LYS  39   4.497   7.597   9.218
  285   1HE   LYS  39          1HE       LYS  39   2.562   7.744   8.020
  286   2HE   LYS  39          2HE       LYS  39   3.657   7.254   6.721
  287   1HZ   LYS  39          1HZ       LYS  39   2.867   4.967   7.118
  288   2HZ   LYS  39          2HZ       LYS  39   1.840   5.522   8.271
  289   3HZ   LYS  39          3HZ       LYS  39   1.654   5.989   6.701
  Start of MODEL   12
    1   1H    LEU   1          1H        LEU   1  -9.203   0.835   9.148
    2   2H    LEU   1          2H        LEU   1  -7.705   0.994   8.399
    3   3H    LEU   1          3H        LEU   1  -8.843   2.226   8.274
    4    HA   LEU   1           HA       LEU   1  -9.050  -0.488   7.182
    5   1HB   LEU   1          1HB       LEU   1 -11.220   0.488   7.985
    6   2HB   LEU   1          2HB       LEU   1 -10.970   1.860   6.908
    7    HG   LEU   1           HG       LEU   1 -10.933   0.162   4.970
    8   1HD1  LEU   1          1HD2      LEU   1 -10.534  -1.895   6.335
    9   2HD1  LEU   1          2HD2      LEU   1 -12.101  -1.657   7.128
   10   3HD1  LEU   1          3HD2      LEU   1 -12.025  -2.006   5.389
   11   1HD2  LEU   1          1HD1      LEU   1 -12.875   1.600   5.471
   12   2HD2  LEU   1          2HD1      LEU   1 -13.395  -0.006   4.926
   13   3HD2  LEU   1          3HD1      LEU   1 -13.462   0.411   6.652
   14    H    THR   2           H        THR   2  -6.961  -0.142   6.190
   15    HA   THR   2           HA       THR   2  -6.958   1.794   3.939
   16    HB   THR   2           HB       THR   2  -4.654   0.967   5.728
   17    HG1  THR   2           HG1      THR   2  -4.847   3.143   6.460
   18   1HG2  THR   2          1HG2      THR   2  -3.481   2.865   4.623
   19   2HG2  THR   2          2HG2      THR   2  -3.862   1.548   3.501
   20   3HG2  THR   2          3HG2      THR   2  -4.851   3.030   3.501
   21    H    CYS   3           H        CYS   3  -6.300   1.074   2.037
   22    HA   CYS   3           HA       CYS   3  -6.135  -1.742   1.581
   23   1HB   CYS   3          1HB       CYS   3  -7.248  -0.159   0.066
   24   2HB   CYS   3          2HB       CYS   3  -5.698   0.552  -0.340
   25    H    PHE   4           H        PHE   4  -4.333  -2.961   1.704
   26    HA   PHE   4           HA       PHE   4  -1.662  -1.751   1.812
   27   1HB   PHE   4          1HB       PHE   4  -2.560  -4.606   2.278
   28   2HB   PHE   4          2HB       PHE   4  -1.068  -3.843   2.810
   29    HD1  PHE   4           HD1      PHE   4  -1.811  -1.392   4.149
   30    HD2  PHE   4           HD2      PHE   4  -3.950  -5.138   4.090
   31    HE1  PHE   4           HE1      PHE   4  -2.862  -0.821   6.304
   32    HE2  PHE   4           HE2      PHE   4  -5.035  -4.537   6.232
   33    HZ   PHE   4           HZ       PHE   4  -4.489  -2.387   7.351
   34    H    ASN   5           H        ASN   5  -2.948  -1.681  -0.702
   35    HA   ASN   5           HA       ASN   5  -1.140  -3.342  -2.366
   36   1HB   ASN   5          1HB       ASN   5  -3.023  -4.768  -2.164
   37   2HB   ASN   5          2HB       ASN   5  -4.176  -3.457  -2.371
   38   1HD2  ASN   5          2HD2      ASN   5  -4.580  -2.590  -4.475
   39   2HD2  ASN   5          1HD2      ASN   5  -4.133  -3.475  -5.910
   40    H    CYS   6           H        CYS   6  -4.022  -1.212  -2.923
   41    HA   CYS   6           HA       CYS   6  -2.508   0.288  -4.908
   42   1HB   CYS   6          1HB       CYS   6  -4.521   1.010  -5.690
   43   2HB   CYS   6          2HB       CYS   6  -4.830  -0.654  -5.284
   44    H    GLY   7           H        GLY   7  -3.294   0.601  -1.546
   45   1HA   GLY   7          1HA       GLY   7  -2.660   2.205  -0.074
   46   2HA   GLY   7          2HA       GLY   7  -1.918   3.102  -1.413
   47    H    LYS   8           H        LYS   8  -5.343   2.254  -1.388
   48    HA   LYS   8           HA       LYS   8  -6.100   5.112  -1.055
   49   1HB   LYS   8          1HB       LYS   8  -7.391   2.753  -2.417
   50   2HB   LYS   8          2HB       LYS   8  -8.191   4.281  -2.119
   51   1HG   LYS   8          1HG       LYS   8  -6.370   5.467  -3.378
   52   2HG   LYS   8          2HG       LYS   8  -5.626   3.897  -3.736
   53   1HD   LYS   8          1HD       LYS   8  -7.807   3.211  -4.842
   54   2HD   LYS   8          2HD       LYS   8  -8.381   4.871  -4.629
   55   1HE   LYS   8          1HE       LYS   8  -5.901   4.005  -6.201
   56   2HE   LYS   8          2HE       LYS   8  -7.462   4.464  -6.901
   57   1HZ   LYS   8          1HZ       LYS   8  -7.176   6.644  -5.959
   58   2HZ   LYS   8          2HZ       LYS   8  -5.707   6.223  -5.337
   59   3HZ   LYS   8          3HZ       LYS   8  -5.930   6.265  -6.967
   60    HA   PRO   9           HA       PRO   9  -7.661   3.569   2.949
   61   1HB   PRO   9          1HB       PRO   9  -8.723   6.395   2.898
   62   2HB   PRO   9          2HB       PRO   9  -8.013   5.497   4.273
   63   1HG   PRO   9          1HG       PRO   9  -6.504   7.299   2.935
   64   2HG   PRO   9          2HG       PRO   9  -5.809   5.696   3.329
   65   1HD   PRO   9          1HD       PRO   9  -7.008   6.608   0.697
   66   2HD   PRO   9          2HD       PRO   9  -5.480   5.727   1.012
   67    H    GLY  10           H        GLY  10  -9.834   3.306   3.890
   68   1HA   GLY  10          1HA       GLY  10 -12.173   3.503   3.868
   69   2HA   GLY  10          2HA       GLY  10 -12.170   3.948   2.161
   70    H    HIS  11           H        HIS  11 -10.029   1.379   2.291
   71    HA   HIS  11           HA       HIS  11 -11.845  -0.819   2.681
   72   1HB   HIS  11          1HB       HIS  11 -11.830  -1.708   0.458
   73   2HB   HIS  11          2HB       HIS  11 -12.560  -0.126   0.415
   74    HD1  HIS  11           HD1      HIS  11 -11.227   1.741  -0.992
   75    HD2  HIS  11           HD2      HIS  11  -9.421  -1.994  -0.876
   76    HE1  HIS  11           HE1      HIS  11  -9.428   1.683  -2.761
   77    H    THR  12           H        THR  12 -10.603  -2.811   1.729
   78    HA   THR  12           HA       THR  12  -7.778  -2.649   2.730
   79    HB   THR  12           HB       THR  12  -9.694  -4.980   3.109
   80    HG1  THR  12           HG1      THR  12  -9.873  -4.156   5.237
   81   1HG2  THR  12          1HG2      THR  12  -8.092  -5.569   4.934
   82   2HG2  THR  12          2HG2      THR  12  -7.293  -5.583   3.361
   83   3HG2  THR  12          3HG2      THR  12  -7.060  -4.206   4.459
   84    H    ALA  13           H        ALA  13  -6.299  -4.176   1.812
   85    HA   ALA  13           HA       ALA  13  -6.454  -4.543  -0.971
   86   1HB   ALA  13          1HB       ALA  13  -4.818  -6.058   1.117
   87   2HB   ALA  13          2HB       ALA  13  -4.515  -6.092  -0.634
   88   3HB   ALA  13          3HB       ALA  13  -4.328  -4.575   0.265
   89    H    ARG  14           H        ARG  14  -7.649  -6.541   1.604
   90    HA   ARG  14           HA       ARG  14  -8.085  -9.016   0.349
   91   1HB   ARG  14          1HB       ARG  14  -8.409  -8.326   2.749
   92   2HB   ARG  14          2HB       ARG  14  -9.878  -7.489   2.299
   93   1HG   ARG  14          1HG       ARG  14 -10.933  -9.595   1.580
   94   2HG   ARG  14          2HG       ARG  14  -9.406 -10.468   1.801
   95   1HD   ARG  14          1HD       ARG  14 -10.916 -10.900   3.668
   96   2HD   ARG  14          2HD       ARG  14  -9.462 -10.041   4.213
   97    HE   ARG  14           HE       ARG  14 -11.482  -8.132   3.614
   98   1HH1  ARG  14          1HH2      ARG  14 -10.795 -10.663   6.005
   99   2HH1  ARG  14          2HH2      ARG  14 -11.692  -9.881   7.280
  100   1HH2  ARG  14          1HH1      ARG  14 -12.652  -7.106   5.304
  101   2HH2  ARG  14          2HH1      ARG  14 -12.756  -7.854   6.876
  102    H    MET  15           H        MET  15  -9.975  -6.053   0.426
  103    HA   MET  15           HA       MET  15 -12.175  -7.066  -1.223
  104   1HB   MET  15          1HB       MET  15 -11.516  -4.357   0.019
  105   2HB   MET  15          2HB       MET  15 -13.012  -4.726  -0.826
  106   1HG   MET  15          1HG       MET  15 -12.046  -6.273   1.622
  107   2HG   MET  15          2HG       MET  15 -13.080  -4.861   1.689
  108   1HE   MET  15          1HE       MET  15 -14.774  -6.284   3.147
  109   2HE   MET  15          2HE       MET  15 -15.478  -7.831   2.622
  110   3HE   MET  15          3HE       MET  15 -13.742  -7.728   2.992
  111    H    CYS  16           H        CYS  16  -9.261  -5.135  -1.628
  112    HA   CYS  16           HA       CYS  16 -10.049  -3.664  -3.889
  113   1HB   CYS  16          1HB       CYS  16  -8.156  -3.241  -2.301
  114   2HB   CYS  16          2HB       CYS  16  -7.219  -4.462  -3.158
  115    H    ARG  17           H        ARG  17 -10.097  -4.062  -5.958
  116    HA   ARG  17           HA       ARG  17  -9.308  -6.668  -7.082
  117   1HB   ARG  17          1HB       ARG  17 -11.550  -5.824  -7.548
  118   2HB   ARG  17          2HB       ARG  17 -10.895  -4.301  -8.154
  119   1HG   ARG  17          1HG       ARG  17 -11.613  -5.729  -9.990
  120   2HG   ARG  17          2HG       ARG  17  -9.883  -5.416 -10.073
  121   1HD   ARG  17          1HD       ARG  17  -9.506  -7.722  -9.010
  122   2HD   ARG  17          2HD       ARG  17 -11.254  -7.953  -9.066
  123    HE   ARG  17           HE       ARG  17 -11.125  -8.391 -11.308
  124   1HH1  ARG  17          1HH2      ARG  17  -8.065  -6.842 -10.324
  125   2HH1  ARG  17          2HH2      ARG  17  -7.281  -7.170 -11.846
  126   1HH2  ARG  17          1HH1      ARG  17 -10.070  -8.789 -13.293
  127   2HH2  ARG  17          2HH1      ARG  17  -8.424  -8.268 -13.540
  128    H    GLN  18           H        GLN  18  -8.477  -3.243  -7.201
  129    HA   GLN  18           HA       GLN  18  -7.110  -3.103  -9.586
  130   1HB   GLN  18          1HB       GLN  18  -6.535  -1.550  -7.037
  131   2HB   GLN  18          2HB       GLN  18  -6.036  -1.101  -8.654
  132   1HG   GLN  18          1HG       GLN  18  -8.877  -1.302  -7.655
  133   2HG   GLN  18          2HG       GLN  18  -7.965   0.163  -8.073
  134   1HE2  GLN  18          2HE2      GLN  18  -7.092   0.191 -10.433
  135   2HE2  GLN  18          1HE2      GLN  18  -8.203  -0.381 -11.659
  136    HA   PRO  19           HA       PRO  19  -3.107  -4.996  -9.159
  137   1HB   PRO  19          1HB       PRO  19  -2.108  -2.376 -10.305
  138   2HB   PRO  19          2HB       PRO  19  -1.686  -4.037 -10.809
  139   1HG   PRO  19          1HG       PRO  19  -3.460  -2.556 -12.247
  140   2HG   PRO  19          2HG       PRO  19  -3.776  -4.288 -11.929
  141   1HD   PRO  19          1HD       PRO  19  -5.030  -1.903 -10.533
  142   2HD   PRO  19          2HD       PRO  19  -5.725  -3.443 -11.052
  143    H    ARG  20           H        ARG  20  -1.042  -4.739  -7.999
  144    HA   ARG  20           HA       ARG  20  -1.159  -3.068  -5.654
  145   1HB   ARG  20          1HB       ARG  20   0.682  -4.308  -4.943
  146   2HB   ARG  20          2HB       ARG  20  -0.233  -5.483  -5.884
  147   1HG   ARG  20          1HG       ARG  20   2.216  -3.933  -6.823
  148   2HG   ARG  20          2HG       ARG  20   2.218  -5.578  -6.240
  149   1HD   ARG  20          1HD       ARG  20   1.006  -6.343  -8.192
  150   2HD   ARG  20          2HD       ARG  20   0.716  -4.695  -8.757
  151    HE   ARG  20           HE       ARG  20   3.159  -6.220  -9.032
  152   1HH1  ARG  20          1HH2      ARG  20   1.773  -2.929  -8.986
  153   2HH1  ARG  20          2HH2      ARG  20   3.037  -2.253  -9.971
  154   1HH2  ARG  20          1HH1      ARG  20   4.855  -5.273 -10.263
  155   2HH2  ARG  20          2HH1      ARG  20   4.807  -3.571 -10.652
  156    H    GLN  21           H        GLN  21   0.975  -1.929  -5.059
  157    HA   GLN  21           HA       GLN  21   1.706  -0.034  -7.194
  158   1HB   GLN  21          1HB       GLN  21   0.988   0.618  -4.872
  159   2HB   GLN  21          2HB       GLN  21   2.503  -0.053  -4.264
  160   1HG   GLN  21          1HG       GLN  21   2.967   2.239  -4.490
  161   2HG   GLN  21          2HG       GLN  21   3.672   1.587  -5.953
  162   1HE2  GLN  21          2HE2      GLN  21   2.564   2.019  -8.042
  163   2HE2  GLN  21          1HE2      GLN  21   1.352   3.275  -8.119
  164    H    GLU  22           H        GLU  22   3.791   0.275  -7.823
  165    HA   GLU  22           HA       GLU  22   5.595  -1.871  -8.084
  166   1HB   GLU  22          1HB       GLU  22   5.915   1.156  -8.347
  167   2HB   GLU  22          2HB       GLU  22   7.142  -0.017  -8.831
  168   1HG   GLU  22          1HG       GLU  22   5.837   0.770 -10.722
  169   2HG   GLU  22          2HG       GLU  22   5.673  -0.983 -10.506
  170    H    GLY  23           H        GLY  23   5.743   1.048  -6.075
  171   1HA   GLY  23          1HA       GLY  23   7.648  -0.263  -4.168
  172   2HA   GLY  23          2HA       GLY  23   7.738   1.430  -4.669
  173    H    CYS  24           H        CYS  24   7.452   2.255  -2.651
  174    HA   CYS  24           HA       CYS  24   5.358   1.425  -0.836
  175   1HB   CYS  24          1HB       CYS  24   7.714   2.209  -0.264
  176   2HB   CYS  24          2HB       CYS  24   7.175   3.843  -0.610
  177    H    TRP  25           H        TRP  25   3.313   1.945  -1.342
  178    HA   TRP  25           HA       TRP  25   2.548   4.309  -2.817
  179   1HB   TRP  25          1HB       TRP  25   0.256   3.512  -2.260
  180   2HB   TRP  25          2HB       TRP  25   1.217   2.311  -3.025
  181    HD1  TRP  25           HD1      TRP  25   1.272   0.065  -1.952
  182    HE1  TRP  25           HE1      TRP  25   0.468  -0.981   0.315
  183    HE3  TRP  25           HE3      TRP  25  -0.233   4.272   0.304
  184    HZ2  TRP  25           HZ2      TRP  25  -0.684   0.000   2.776
  185    HZ3  TRP  25           HZ3      TRP  25  -0.757   4.287   2.766
  186    HH2  TRP  25           HH2      TRP  25  -1.187   2.124   3.939
  187    H    ASN  26           H        ASN  26   3.064   3.489   0.534
  188    HA   ASN  26           HA       ASN  26   1.334   5.493   1.713
  189   1HB   ASN  26          1HB       ASN  26   1.704   3.775   3.168
  190   2HB   ASN  26          2HB       ASN  26   3.226   3.351   2.506
  191   1HD2  ASN  26          2HD2      ASN  26   4.886   3.516   3.949
  192   2HD2  ASN  26          1HD2      ASN  26   4.959   4.719   5.207
  193    H    CYS  27           H        CYS  27   4.765   5.055   1.644
  194    HA   CYS  27           HA       CYS  27   5.207   7.902   2.302
  195   1HB   CYS  27          1HB       CYS  27   6.902   7.279   3.470
  196   2HB   CYS  27          2HB       CYS  27   6.329   5.666   3.299
  197    H    GLY  28           H        GLY  28   5.291   6.019  -0.574
  198   1HA   GLY  28          1HA       GLY  28   5.428   6.904  -2.707
  199   2HA   GLY  28          2HA       GLY  28   5.993   8.437  -2.059
  200    H    SER  29           H        SER  29   7.801   5.647  -0.997
  201    HA   SER  29           HA       SER  29  10.143   6.428  -2.571
  202   1HB   SER  29          1HB       SER  29  10.400   5.832  -0.202
  203   2HB   SER  29          2HB       SER  29   9.637   4.254  -0.516
  204    HG   SER  29           HG       SER  29  12.179   5.183  -1.289
  205    H    LYS  30           H        LYS  30  11.122   5.066  -4.074
  206    HA   LYS  30           HA       LYS  30   9.500   3.021  -5.403
  207   1HB   LYS  30          1HB       LYS  30  10.377   4.978  -6.591
  208   2HB   LYS  30          2HB       LYS  30  12.031   4.611  -6.089
  209   1HG   LYS  30          1HG       LYS  30  12.095   2.595  -7.277
  210   2HG   LYS  30          2HG       LYS  30  10.345   2.634  -7.617
  211   1HD   LYS  30          1HD       LYS  30  12.365   4.665  -8.695
  212   2HD   LYS  30          2HD       LYS  30  11.874   3.205  -9.572
  213   1HE   LYS  30          1HE       LYS  30   9.495   3.969  -9.506
  214   2HE   LYS  30          2HE       LYS  30  10.016   5.483  -8.741
  215   1HZ   LYS  30          1HZ       LYS  30  10.857   4.529 -11.381
  216   2HZ   LYS  30          2HZ       LYS  30   9.765   5.725 -11.078
  217   3HZ   LYS  30          3HZ       LYS  30  11.346   5.931 -10.663
  218    H    GLU  31           H        GLU  31  12.338   3.489  -3.366
  219    HA   GLU  31           HA       GLU  31  14.081   1.509  -4.061
  220   1HB   GLU  31          1HB       GLU  31  13.371   2.857  -1.406
  221   2HB   GLU  31          2HB       GLU  31  14.886   2.134  -1.857
  222   1HG   GLU  31          1HG       GLU  31  15.374   3.843  -3.464
  223   2HG   GLU  31          2HG       GLU  31  13.797   4.590  -3.309
  224    H    HIS  32           H        HIS  32  11.402   1.683  -1.790
  225    HA   HIS  32           HA       HIS  32  11.275  -1.291  -1.519
  226   1HB   HIS  32          1HB       HIS  32  10.889  -1.094   0.900
  227   2HB   HIS  32          2HB       HIS  32  12.415  -0.522   0.458
  228    HD1  HIS  32           HD1      HIS  32  12.651   2.291   0.558
  229    HD2  HIS  32           HD2      HIS  32   9.091   0.683   1.968
  230    HE1  HIS  32           HE1      HIS  32  11.334   4.133   1.668
  231    H    ARG  33           H        ARG  33   9.332  -1.582   0.046
  232    HA   ARG  33           HA       ARG  33   6.916  -0.417  -1.252
  233   1HB   ARG  33          1HB       ARG  33   7.414  -3.181  -0.160
  234   2HB   ARG  33          2HB       ARG  33   5.970  -2.638  -0.953
  235   1HG   ARG  33          1HG       ARG  33   6.987  -2.455  -3.090
  236   2HG   ARG  33          2HG       ARG  33   8.628  -2.590  -2.449
  237   1HD   ARG  33          1HD       ARG  33   6.575  -4.816  -2.292
  238   2HD   ARG  33          2HD       ARG  33   7.840  -4.673  -3.533
  239    HE   ARG  33           HE       ARG  33   9.136  -4.476  -1.053
  240   1HH1  ARG  33          1HH1      ARG  33   7.314  -6.913  -2.870
  241   2HH1  ARG  33          2HH1      ARG  33   8.142  -8.265  -2.140
  242   1HH2  ARG  33          1HH2      ARG  33  10.220  -6.269  -0.081
  243   2HH2  ARG  33          2HH2      ARG  33   9.800  -7.891  -0.558
  244    H    PHE  34           H        PHE  34   4.934  -0.604   0.006
  245    HA   PHE  34           HA       PHE  34   5.136   0.698   2.517
  246   1HB   PHE  34          1HB       PHE  34   3.116   1.048   1.476
  247   2HB   PHE  34          2HB       PHE  34   2.910  -0.585   0.992
  248    HD1  PHE  34           HD1      PHE  34   2.920   1.626   4.027
  249    HD2  PHE  34           HD2      PHE  34   1.739  -2.188   2.397
  250    HE1  PHE  34           HE1      PHE  34   1.540   1.202   6.029
  251    HE2  PHE  34           HE2      PHE  34   0.469  -2.665   4.471
  252    HZ   PHE  34           HZ       PHE  34   0.280  -0.932   6.244
  253    H    ALA  35           H        ALA  35   4.559  -2.727   1.818
  254    HA   ALA  35           HA       ALA  35   4.297  -3.720   4.417
  255   1HB   ALA  35          1HB       ALA  35   3.921  -5.046   2.374
  256   2HB   ALA  35          2HB       ALA  35   5.666  -5.032   2.031
  257   3HB   ALA  35          3HB       ALA  35   5.047  -5.873   3.469
  258    H    GLN  36           H        GLN  36   7.248  -2.746   2.738
  259    HA   GLN  36           HA       GLN  36   9.088  -3.846   4.725
  260   1HB   GLN  36          1HB       GLN  36   9.505  -1.932   2.410
  261   2HB   GLN  36          2HB       GLN  36  10.758  -2.801   3.235
  262   1HG   GLN  36          1HG       GLN  36   8.523  -4.084   1.560
  263   2HG   GLN  36          2HG       GLN  36  10.136  -3.697   0.981
  264   1HE2  GLN  36          2HE2      GLN  36   8.501  -5.572   3.620
  265   2HE2  GLN  36          1HE2      GLN  36   9.627  -6.911   3.556
  266    H    CYS  37           H        CYS  37   7.638  -0.756   3.824
  267    HA   CYS  37           HA       CYS  37   9.378   0.966   5.218
  268   1HB   CYS  37          1HB       CYS  37   7.796   1.532   3.384
  269   2HB   CYS  37          2HB       CYS  37   6.485   1.384   4.429
  270    HA   PRO  38           HA       PRO  38   7.939   0.319   9.480
  271   1HB   PRO  38          1HB       PRO  38   8.843   3.209   9.661
  272   2HB   PRO  38          2HB       PRO  38   9.118   1.885  10.828
  273   1HG   PRO  38          1HG       PRO  38  11.091   2.609   9.118
  274   2HG   PRO  38          2HG       PRO  38  10.738   0.873   9.373
  275   1HD   PRO  38          1HD       PRO  38   9.877   2.619   7.051
  276   2HD   PRO  38          2HD       PRO  38  10.509   0.944   7.074
  277    H    LYS  39           H        LYS  39   7.182   3.183   7.563
  278    HA   LYS  39           HA       LYS  39   4.687   3.831   9.001
  279   1HB   LYS  39          1HB       LYS  39   6.317   5.070   6.753
  280   2HB   LYS  39          2HB       LYS  39   4.671   5.605   7.073
  281   1HG   LYS  39          1HG       LYS  39   5.261   6.098   9.424
  282   2HG   LYS  39          2HG       LYS  39   6.929   5.567   9.119
  283   1HD   LYS  39          1HD       LYS  39   7.235   7.383   7.482
  284   2HD   LYS  39          2HD       LYS  39   5.526   7.829   7.620
  285   1HE   LYS  39          1HE       LYS  39   6.889   9.388   8.907
  286   2HE   LYS  39          2HE       LYS  39   5.839   8.456   9.987
  287   1HZ   LYS  39          1HZ       LYS  39   8.685   7.917   9.485
  288   2HZ   LYS  39          2HZ       LYS  39   8.063   8.649  10.823
  289   3HZ   LYS  39          3HZ       LYS  39   7.711   7.072  10.512
  Start of MODEL   13
    1   1H    LEU   1          1H        LEU   1  -8.868   2.077   8.157
    2   2H    LEU   1          2H        LEU   1  -7.371   2.283   7.420
    3   3H    LEU   1          3H        LEU   1  -8.572   3.443   7.223
    4    HA   LEU   1           HA       LEU   1  -8.636   0.670   6.266
    5   1HB   LEU   1          1HB       LEU   1 -10.864   1.449   6.901
    6   2HB   LEU   1          2HB       LEU   1 -10.649   2.932   5.967
    7    HG   LEU   1           HG       LEU   1 -10.560   1.590   3.858
    8   1HD1  LEU   1          1HD2      LEU   1 -11.140  -0.749   5.733
    9   2HD1  LEU   1          2HD2      LEU   1 -11.318  -0.796   3.969
   10   3HD1  LEU   1          3HD2      LEU   1  -9.717  -0.552   4.682
   11   1HD2  LEU   1          1HD1      LEU   1 -12.680   2.546   4.659
   12   2HD2  LEU   1          2HD1      LEU   1 -12.941   1.006   3.821
   13   3HD2  LEU   1          3HD1      LEU   1 -13.002   1.070   5.595
   14    H    THR   2           H        THR   2  -6.970   0.591   4.776
   15    HA   THR   2           HA       THR   2  -7.304   2.218   2.439
   16    HB   THR   2           HB       THR   2  -5.898   3.750   3.765
   17    HG1  THR   2           HG1      THR   2  -4.388   2.567   1.691
   18   1HG2  THR   2          1HG2      THR   2  -3.778   1.552   3.721
   19   2HG2  THR   2          2HG2      THR   2  -3.592   3.204   4.336
   20   3HG2  THR   2          3HG2      THR   2  -4.679   2.074   5.162
   21    H    CYS   3           H        CYS   3  -6.537   1.346   0.627
   22    HA   CYS   3           HA       CYS   3  -6.171  -1.423   0.566
   23   1HB   CYS   3          1HB       CYS   3  -7.176  -0.052  -1.199
   24   2HB   CYS   3          2HB       CYS   3  -5.618   0.644  -1.584
   25    H    PHE   4           H        PHE   4  -4.388  -2.630   0.854
   26    HA   PHE   4           HA       PHE   4  -1.713  -1.451   1.018
   27   1HB   PHE   4          1HB       PHE   4  -2.640  -4.295   1.486
   28   2HB   PHE   4          2HB       PHE   4  -1.168  -3.536   2.064
   29    HD1  PHE   4           HD1      PHE   4  -3.993  -4.868   3.313
   30    HD2  PHE   4           HD2      PHE   4  -1.993  -1.044   3.333
   31    HE1  PHE   4           HE1      PHE   4  -5.095  -4.287   5.451
   32    HE2  PHE   4           HE2      PHE   4  -3.103  -0.472   5.458
   33    HZ   PHE   4           HZ       PHE   4  -4.667  -2.087   6.523
   34    H    ASN   5           H        ASN   5  -2.985  -1.588  -1.631
   35    HA   ASN   5           HA       ASN   5  -1.011  -3.275  -3.077
   36   1HB   ASN   5          1HB       ASN   5  -2.885  -4.708  -2.981
   37   2HB   ASN   5          2HB       ASN   5  -4.043  -3.420  -3.254
   38   1HD2  ASN   5          2HD2      ASN   5  -4.696  -2.904  -5.409
   39   2HD2  ASN   5          1HD2      ASN   5  -3.921  -3.659  -6.774
   40    H    CYS   6           H        CYS   6  -3.857  -1.281  -3.997
   41    HA   CYS   6           HA       CYS   6  -2.225   0.218  -5.873
   42   1HB   CYS   6          1HB       CYS   6  -4.197   0.948  -6.777
   43   2HB   CYS   6          2HB       CYS   6  -4.465  -0.747  -6.438
   44    H    GLY   7           H        GLY   7  -3.145   0.632  -2.574
   45   1HA   GLY   7          1HA       GLY   7  -2.599   2.310  -1.148
   46   2HA   GLY   7          2HA       GLY   7  -1.862   3.192  -2.491
   47    H    LYS   8           H        LYS   8  -5.222   2.317  -2.892
   48    HA   LYS   8           HA       LYS   8  -6.028   5.140  -2.600
   49   1HB   LYS   8          1HB       LYS   8  -7.266   2.707  -3.878
   50   2HB   LYS   8          2HB       LYS   8  -8.095   4.239  -3.681
   51   1HG   LYS   8          1HG       LYS   8  -6.243   5.386  -4.936
   52   2HG   LYS   8          2HG       LYS   8  -5.475   3.809  -5.199
   53   1HD   LYS   8          1HD       LYS   8  -7.528   3.045  -6.412
   54   2HD   LYS   8          2HD       LYS   8  -8.249   4.650  -6.158
   55   1HE   LYS   8          1HE       LYS   8  -6.343   5.681  -7.405
   56   2HE   LYS   8          2HE       LYS   8  -5.671   4.064  -7.694
   57   1HZ   LYS   8          1HZ       LYS   8  -8.283   5.033  -8.629
   58   2HZ   LYS   8          2HZ       LYS   8  -6.928   4.856  -9.549
   59   3HZ   LYS   8          3HZ       LYS   8  -7.663   3.530  -8.905
   60    HA   PRO   9           HA       PRO   9  -7.893   3.934   1.351
   61   1HB   PRO   9          1HB       PRO   9  -9.334   6.533   0.936
   62   2HB   PRO   9          2HB       PRO   9  -8.538   5.923   2.412
   63   1HG   PRO   9          1HG       PRO   9  -7.302   7.798   0.879
   64   2HG   PRO   9          2HG       PRO   9  -6.375   6.422   1.550
   65   1HD   PRO   9          1HD       PRO   9  -7.451   6.730  -1.267
   66   2HD   PRO   9          2HD       PRO   9  -5.858   6.154  -0.686
   67    H    GLY  10           H        GLY  10 -10.228   3.934   2.212
   68   1HA   GLY  10          1HA       GLY  10 -12.526   3.773   1.989
   69   2HA   GLY  10          2HA       GLY  10 -12.408   3.994   0.240
   70    H    HIS  11           H        HIS  11 -10.134   1.639   1.082
   71    HA   HIS  11           HA       HIS  11 -11.865  -0.603   1.522
   72   1HB   HIS  11          1HB       HIS  11 -11.358  -1.833  -0.559
   73   2HB   HIS  11          2HB       HIS  11 -12.333  -0.516  -0.842
   74    HD1  HIS  11           HD1      HIS  11 -10.965   1.675  -2.095
   75    HD2  HIS  11           HD2      HIS  11  -9.245  -2.086  -1.988
   76    HE1  HIS  11           HE1      HIS  11  -9.250   1.559  -3.948
   77    H    THR  12           H        THR  12 -10.459  -2.558   0.813
   78    HA   THR  12           HA       THR  12  -7.698  -2.320   1.965
   79    HB   THR  12           HB       THR  12  -9.639  -4.622   2.489
   80    HG1  THR  12           HG1      THR  12 -10.324  -2.726   3.528
   81   1HG2  THR  12          1HG2      THR  12  -8.016  -5.151   4.319
   82   2HG2  THR  12          2HG2      THR  12  -7.267  -5.292   2.726
   83   3HG2  THR  12          3HG2      THR  12  -6.957  -3.857   3.727
   84    H    ALA  13           H        ALA  13  -6.196  -3.918   1.142
   85    HA   ALA  13           HA       ALA  13  -6.403  -4.310  -1.624
   86   1HB   ALA  13          1HB       ALA  13  -4.705  -5.774   0.454
   87   2HB   ALA  13          2HB       ALA  13  -4.428  -5.851  -1.300
   88   3HB   ALA  13          3HB       ALA  13  -4.244  -4.309  -0.445
   89    H    ARG  14           H        ARG  14  -7.581  -6.263   0.954
   90    HA   ARG  14           HA       ARG  14  -7.888  -8.775  -0.287
   91   1HB   ARG  14          1HB       ARG  14  -8.235  -8.034   2.132
   92   2HB   ARG  14          2HB       ARG  14  -9.774  -7.358   1.656
   93   1HG   ARG  14          1HG       ARG  14 -10.517  -9.640   0.886
   94   2HG   ARG  14          2HG       ARG  14  -8.942 -10.292   1.378
   95   1HD   ARG  14          1HD       ARG  14  -9.382  -9.542   3.716
   96   2HD   ARG  14          2HD       ARG  14 -10.992  -8.993   3.239
   97    HE   ARG  14           HE       ARG  14 -10.071 -11.701   3.756
   98   1HH1  ARG  14          1HH2      ARG  14 -12.504  -9.858   1.940
   99   2HH1  ARG  14          2HH2      ARG  14 -13.630 -11.190   1.860
  100   1HH2  ARG  14          1HH1      ARG  14 -11.550 -13.432   3.635
  101   2HH2  ARG  14          2HH1      ARG  14 -13.081 -13.231   2.825
  102    H    MET  15           H        MET  15  -9.891  -5.893  -0.248
  103    HA   MET  15           HA       MET  15 -12.091  -6.984  -1.819
  104   1HB   MET  15          1HB       MET  15 -11.281  -4.172  -0.962
  105   2HB   MET  15          2HB       MET  15 -12.758  -4.549  -1.806
  106   1HG   MET  15          1HG       MET  15 -11.933  -5.743   0.889
  107   2HG   MET  15          2HG       MET  15 -12.929  -4.317   0.710
  108   1HE   MET  15          1HE       MET  15 -15.380  -4.284  -0.154
  109   2HE   MET  15          2HE       MET  15 -14.990  -5.090  -1.694
  110   3HE   MET  15          3HE       MET  15 -16.296  -5.716  -0.671
  111    H    CYS  16           H        CYS  16  -9.264  -4.960  -2.362
  112    HA   CYS  16           HA       CYS  16  -9.955  -3.941  -4.899
  113   1HB   CYS  16          1HB       CYS  16  -8.343  -2.929  -3.528
  114   2HB   CYS  16          2HB       CYS  16  -7.298  -4.213  -3.490
  115    H    ARG  17           H        ARG  17 -10.026  -4.802  -6.814
  116    HA   ARG  17           HA       ARG  17  -8.932  -7.448  -7.468
  117   1HB   ARG  17          1HB       ARG  17 -11.220  -6.717  -8.094
  118   2HB   ARG  17          2HB       ARG  17 -10.536  -5.431  -9.101
  119   1HG   ARG  17          1HG       ARG  17  -9.453  -7.091 -10.553
  120   2HG   ARG  17          2HG       ARG  17  -9.985  -8.409  -9.483
  121   1HD   ARG  17          1HD       ARG  17 -12.344  -7.846  -9.970
  122   2HD   ARG  17          2HD       ARG  17 -11.811  -6.512 -11.021
  123    HE   ARG  17           HE       ARG  17 -10.552  -8.890 -11.898
  124   1HH1  ARG  17          1HH2      ARG  17 -13.811  -7.494 -11.755
  125   2HH1  ARG  17          2HH2      ARG  17 -14.387  -8.369 -13.150
  126   1HH2  ARG  17          1HH1      ARG  17 -11.317 -10.035 -13.728
  127   2HH2  ARG  17          2HH1      ARG  17 -12.959  -9.822 -14.277
  128    H    GLN  18           H        GLN  18  -8.218  -4.044  -7.930
  129    HA   GLN  18           HA       GLN  18  -6.796  -4.063 -10.322
  130   1HB   GLN  18          1HB       GLN  18  -6.233  -2.306  -7.901
  131   2HB   GLN  18          2HB       GLN  18  -5.850  -1.958  -9.546
  132   1HG   GLN  18          1HG       GLN  18  -7.624  -0.644  -9.304
  133   2HG   GLN  18          2HG       GLN  18  -8.347  -2.073 -10.068
  134   1HE2  GLN  18          2HE2      GLN  18  -8.416   0.131  -7.397
  135   2HE2  GLN  18          1HE2      GLN  18  -9.690  -0.660  -6.486
  136    HA   PRO  19           HA       PRO  19  -2.770  -5.689  -9.049
  137   1HB   PRO  19          1HB       PRO  19  -1.099  -4.597 -10.893
  138   2HB   PRO  19          2HB       PRO  19  -2.357  -5.780 -11.353
  139   1HG   PRO  19          1HG       PRO  19  -2.508  -2.763 -11.528
  140   2HG   PRO  19          2HG       PRO  19  -2.912  -3.953 -12.801
  141   1HD   PRO  19          1HD       PRO  19  -4.791  -2.820 -11.180
  142   2HD   PRO  19          2HD       PRO  19  -4.979  -4.497 -11.719
  143    H    ARG  20           H        ARG  20  -0.530  -4.759  -8.399
  144    HA   ARG  20           HA       ARG  20  -1.080  -2.678  -6.477
  145   1HB   ARG  20          1HB       ARG  20   1.028  -3.150  -5.570
  146   2HB   ARG  20          2HB       ARG  20   0.406  -4.706  -6.103
  147   1HG   ARG  20          1HG       ARG  20   1.830  -4.719  -8.042
  148   2HG   ARG  20          2HG       ARG  20   2.283  -3.045  -7.849
  149   1HD   ARG  20          1HD       ARG  20   3.175  -3.831  -5.479
  150   2HD   ARG  20          2HD       ARG  20   3.300  -5.394  -6.292
  151    HE   ARG  20           HE       ARG  20   4.799  -2.900  -6.732
  152   1HH1  ARG  20          1HH2      ARG  20   3.889  -5.952  -8.297
  153   2HH1  ARG  20          2HH2      ARG  20   5.160  -5.861  -9.488
  154   1HH2  ARG  20          1HH1      ARG  20   6.454  -2.793  -8.277
  155   2HH2  ARG  20          2HH1      ARG  20   6.638  -4.055  -9.471
  156    H    GLN  21           H        GLN  21   0.974  -1.235  -6.121
  157    HA   GLN  21           HA       GLN  21   1.167   0.657  -8.400
  158   1HB   GLN  21          1HB       GLN  21   0.295   1.639  -6.354
  159   2HB   GLN  21          2HB       GLN  21   1.606   0.932  -5.399
  160   1HG   GLN  21          1HG       GLN  21   1.907   3.359  -5.786
  161   2HG   GLN  21          2HG       GLN  21   3.242   2.394  -6.411
  162   1HE2  GLN  21          2HE2      GLN  21   3.894   4.041  -7.882
  163   2HE2  GLN  21          1HE2      GLN  21   2.981   4.398  -9.328
  164    H    GLU  22           H        GLU  22   3.324   1.402  -8.981
  165    HA   GLU  22           HA       GLU  22   5.128  -0.412  -9.647
  166   1HB   GLU  22          1HB       GLU  22   5.257   2.561  -8.961
  167   2HB   GLU  22          2HB       GLU  22   6.504   1.672  -9.780
  168   1HG   GLU  22          1HG       GLU  22   5.051   1.146 -11.661
  169   2HG   GLU  22          2HG       GLU  22   3.675   1.916 -10.857
  170    H    GLY  23           H        GLY  23   5.483   1.851  -6.942
  171   1HA   GLY  23          1HA       GLY  23   7.109  -0.135  -5.404
  172   2HA   GLY  23          2HA       GLY  23   7.611   1.550  -5.564
  173    H    CYS  24           H        CYS  24   7.422   2.119  -3.460
  174    HA   CYS  24           HA       CYS  24   5.303   1.423  -1.700
  175   1HB   CYS  24          1HB       CYS  24   7.731   2.082  -1.188
  176   2HB   CYS  24          2HB       CYS  24   7.231   3.745  -1.380
  177    H    TRP  25           H        TRP  25   3.296   2.064  -2.202
  178    HA   TRP  25           HA       TRP  25   2.601   4.543  -3.484
  179   1HB   TRP  25          1HB       TRP  25   0.309   3.789  -3.023
  180   2HB   TRP  25          2HB       TRP  25   1.288   2.539  -3.701
  181    HD1  TRP  25           HD1      TRP  25   1.192   0.320  -2.650
  182    HE1  TRP  25           HE1      TRP  25   0.284  -0.692  -0.404
  183    HE3  TRP  25           HE3      TRP  25  -0.295   4.576  -0.483
  184    HZ2  TRP  25           HZ2      TRP  25  -0.835   0.343   2.049
  185    HZ3  TRP  25           HZ3      TRP  25  -1.088   4.625   1.910
  186    HH2  TRP  25           HH2      TRP  25  -1.456   2.486   3.127
  187    H    ASN  26           H        ASN  26   3.062   3.504  -0.180
  188    HA   ASN  26           HA       ASN  26   1.446   5.575   1.080
  189   1HB   ASN  26          1HB       ASN  26   1.607   3.575   2.303
  190   2HB   ASN  26          2HB       ASN  26   3.302   3.372   1.919
  191   1HD2  ASN  26          2HD2      ASN  26   4.702   3.712   3.603
  192   2HD2  ASN  26          1HD2      ASN  26   4.361   4.792   4.932
  193    H    CYS  27           H        CYS  27   4.928   4.891   0.939
  194    HA   CYS  27           HA       CYS  27   5.501   7.596   1.965
  195   1HB   CYS  27          1HB       CYS  27   7.177   6.728   3.017
  196   2HB   CYS  27          2HB       CYS  27   6.499   5.181   2.653
  197    H    GLY  28           H        GLY  28   5.445   5.983  -1.093
  198   1HA   GLY  28          1HA       GLY  28   5.552   7.076  -3.124
  199   2HA   GLY  28          2HA       GLY  28   6.262   8.492  -2.363
  200    H    SER  29           H        SER  29   7.974   5.580  -1.559
  201    HA   SER  29           HA       SER  29  10.246   6.333  -3.249
  202   1HB   SER  29          1HB       SER  29  10.661   5.525  -0.984
  203   2HB   SER  29          2HB       SER  29   9.743   4.040  -1.340
  204    HG   SER  29           HG       SER  29  12.295   4.793  -2.223
  205    H    LYS  30           H        LYS  30  10.903   5.225  -5.014
  206    HA   LYS  30           HA       LYS  30   9.194   3.112  -6.141
  207   1HB   LYS  30          1HB       LYS  30  10.408   5.444  -7.207
  208   2HB   LYS  30          2HB       LYS  30  11.391   4.108  -7.813
  209   1HG   LYS  30          1HG       LYS  30   9.264   2.958  -8.483
  210   2HG   LYS  30          2HG       LYS  30   8.356   4.360  -7.861
  211   1HD   LYS  30          1HD       LYS  30   9.403   5.815  -9.566
  212   2HD   LYS  30          2HD       LYS  30  10.316   4.422 -10.202
  213   1HE   LYS  30          1HE       LYS  30   8.190   3.239 -10.679
  214   2HE   LYS  30          2HE       LYS  30   7.266   4.602 -10.018
  215   1HZ   LYS  30          1HZ       LYS  30   8.996   4.707 -12.386
  216   2HZ   LYS  30          2HZ       LYS  30   7.349   4.593 -12.371
  217   3HZ   LYS  30          3HZ       LYS  30   8.087   5.952 -11.785
  218    H    GLU  31           H        GLU  31  11.887   3.300  -4.167
  219    HA   GLU  31           HA       GLU  31  13.629   1.357  -5.360
  220   1HB   GLU  31          1HB       GLU  31  13.348   2.346  -2.495
  221   2HB   GLU  31          2HB       GLU  31  14.738   1.495  -3.160
  222   1HG   GLU  31          1HG       GLU  31  15.380   3.351  -4.502
  223   2HG   GLU  31          2HG       GLU  31  13.825   4.164  -4.330
  224    H    HIS  32           H        HIS  32  11.271   1.374  -2.724
  225    HA   HIS  32           HA       HIS  32  11.027  -1.611  -2.732
  226   1HB   HIS  32          1HB       HIS  32  10.873  -1.508  -0.302
  227   2HB   HIS  32          2HB       HIS  32  12.394  -0.853  -0.838
  228    HD1  HIS  32           HD1      HIS  32  12.694   1.848  -0.474
  229    HD2  HIS  32           HD2      HIS  32   9.089   0.276   0.814
  230    HE1  HIS  32           HE1      HIS  32  11.458   3.651   0.783
  231    H    ARG  33           H        ARG  33   9.038  -2.128  -1.277
  232    HA   ARG  33           HA       ARG  33   6.725  -0.633  -2.338
  233   1HB   ARG  33          1HB       ARG  33   6.473  -3.337  -1.125
  234   2HB   ARG  33          2HB       ARG  33   5.666  -2.634  -2.502
  235   1HG   ARG  33          1HG       ARG  33   8.544  -3.645  -2.578
  236   2HG   ARG  33          2HG       ARG  33   7.134  -4.549  -3.065
  237   1HD   ARG  33          1HD       ARG  33   6.598  -2.851  -4.814
  238   2HD   ARG  33          2HD       ARG  33   7.977  -1.888  -4.282
  239    HE   ARG  33           HE       ARG  33   9.404  -3.176  -5.449
  240   1HH1  ARG  33          1HH1      ARG  33   6.393  -5.026  -5.089
  241   2HH1  ARG  33          2HH1      ARG  33   6.909  -6.307  -6.156
  242   1HH2  ARG  33          1HH2      ARG  33  10.056  -4.848  -6.852
  243   2HH2  ARG  33          2HH2      ARG  33   9.002  -6.201  -7.168
  244    H    PHE  34           H        PHE  34   4.732  -0.796  -0.995
  245    HA   PHE  34           HA       PHE  34   5.158   0.445   1.559
  246   1HB   PHE  34          1HB       PHE  34   3.171   1.039   0.592
  247   2HB   PHE  34          2HB       PHE  34   2.747  -0.566   0.101
  248    HD1  PHE  34           HD1      PHE  34   3.271   1.515   3.196
  249    HD2  PHE  34           HD2      PHE  34   1.381  -1.974   1.512
  250    HE1  PHE  34           HE1      PHE  34   1.999   1.204   5.286
  251    HE2  PHE  34           HE2      PHE  34   0.229  -2.369   3.671
  252    HZ   PHE  34           HZ       PHE  34   0.469  -0.743   5.531
  253    H    ALA  35           H        ALA  35   4.274  -2.869   0.703
  254    HA   ALA  35           HA       ALA  35   4.043  -4.022   3.229
  255   1HB   ALA  35          1HB       ALA  35   3.588  -5.207   1.118
  256   2HB   ALA  35          2HB       ALA  35   5.326  -5.222   0.738
  257   3HB   ALA  35          3HB       ALA  35   4.711  -6.134   2.135
  258    H    GLN  36           H        GLN  36   7.015  -3.234   1.452
  259    HA   GLN  36           HA       GLN  36   8.833  -4.414   3.375
  260   1HB   GLN  36          1HB       GLN  36   9.277  -2.432   1.107
  261   2HB   GLN  36          2HB       GLN  36  10.520  -3.343   1.921
  262   1HG   GLN  36          1HG       GLN  36   8.257  -4.522   0.216
  263   2HG   GLN  36          2HG       GLN  36   9.917  -4.269  -0.287
  264   1HE2  GLN  36          2HE2      GLN  36   7.805  -6.174   1.866
  265   2HE2  GLN  36          1HE2      GLN  36   8.944  -7.480   2.115
  266    H    CYS  37           H        CYS  37   7.512  -1.206   2.704
  267    HA   CYS  37           HA       CYS  37   9.366   0.356   4.091
  268   1HB   CYS  37          1HB       CYS  37   7.571   1.058   2.465
  269   2HB   CYS  37          2HB       CYS  37   6.427   0.995   3.757
  270    HA   PRO  38           HA       PRO  38   8.263  -0.586   8.402
  271   1HB   PRO  38          1HB       PRO  38   9.440   2.195   8.714
  272   2HB   PRO  38          2HB       PRO  38   9.687   0.766   9.754
  273   1HG   PRO  38          1HG       PRO  38  11.574   1.447   7.934
  274   2HG   PRO  38          2HG       PRO  38  11.077  -0.267   8.078
  275   1HD   PRO  38          1HD       PRO  38  10.182   1.759   6.008
  276   2HD   PRO  38          2HD       PRO  38  10.668   0.046   5.815
  277    H    LYS  39           H        LYS  39   7.606   2.515   6.786
  278    HA   LYS  39           HA       LYS  39   5.397   3.278   8.507
  279   1HB   LYS  39          1HB       LYS  39   7.350   4.443   6.523
  280   2HB   LYS  39          2HB       LYS  39   5.740   5.060   6.409
  281   1HG   LYS  39          1HG       LYS  39   5.786   5.465   8.906
  282   2HG   LYS  39          2HG       LYS  39   7.469   4.912   8.922
  283   1HD   LYS  39          1HD       LYS  39   8.118   6.788   7.445
  284   2HD   LYS  39          2HD       LYS  39   6.422   7.274   7.289
  285   1HE   LYS  39          1HE       LYS  39   7.547   8.737   8.883
  286   2HE   LYS  39          2HE       LYS  39   6.308   7.777   9.709
  287   1HZ   LYS  39          1HZ       LYS  39   9.192   7.200   9.691
  288   2HZ   LYS  39          2HZ       LYS  39   8.353   7.880  10.935
  289   3HZ   LYS  39          3HZ       LYS  39   8.039   6.328  10.486
  Start of MODEL   14
    1   1H    LEU   1          1H        LEU   1  -8.749   2.118   7.321
    2   2H    LEU   1          2H        LEU   1  -7.271   2.315   6.542
    3   3H    LEU   1          3H        LEU   1  -8.490   3.456   6.336
    4    HA   LEU   1           HA       LEU   1  -8.540   0.653   5.471
    5   1HB   LEU   1          1HB       LEU   1 -10.755   1.393   6.140
    6   2HB   LEU   1          2HB       LEU   1 -10.603   2.867   5.179
    7    HG   LEU   1           HG       LEU   1 -10.587   1.537   3.092
    8   1HD1  LEU   1          1HD1      LEU   1 -10.912  -0.854   4.958
    9   2HD1  LEU   1          2HD1      LEU   1 -11.192  -0.889   3.207
   10   3HD1  LEU   1          3HD1      LEU   1  -9.571  -0.556   3.826
   11   1HD2  LEU   1          1HD2      LEU   1 -12.717   2.351   4.020
   12   2HD2  LEU   1          2HD2      LEU   1 -12.930   0.804   3.180
   13   3HD2  LEU   1          3HD2      LEU   1 -12.893   0.849   4.955
   14    H    THR   2           H        THR   2  -6.806   0.625   4.047
   15    HA   THR   2           HA       THR   2  -7.203   2.120   1.617
   16    HB   THR   2           HB       THR   2  -5.852   3.739   2.927
   17    HG1  THR   2           HG1      THR   2  -4.232   3.945   1.332
   18   1HG2  THR   2          1HG2      THR   2  -3.669   1.601   2.915
   19   2HG2  THR   2          2HG2      THR   2  -3.529   3.265   3.507
   20   3HG2  THR   2          3HG2      THR   2  -4.582   2.117   4.350
   21    H    CYS   3           H        CYS   3  -6.311   1.272  -0.142
   22    HA   CYS   3           HA       CYS   3  -5.979  -1.505  -0.132
   23   1HB   CYS   3          1HB       CYS   3  -7.008  -0.134  -1.892
   24   2HB   CYS   3          2HB       CYS   3  -5.434   0.505  -2.339
   25    H    PHE   4           H        PHE   4  -4.106  -2.636   0.453
   26    HA   PHE   4           HA       PHE   4  -1.520  -1.522   0.462
   27   1HB   PHE   4          1HB       PHE   4  -2.625  -4.336   0.839
   28   2HB   PHE   4          2HB       PHE   4  -1.160  -3.654   1.482
   29    HD1  PHE   4           HD1      PHE   4  -1.878  -1.144   2.755
   30    HD2  PHE   4           HD2      PHE   4  -4.059  -4.864   2.636
   31    HE1  PHE   4           HE1      PHE   4  -3.028  -0.528   4.842
   32    HE2  PHE   4           HE2      PHE   4  -5.198  -4.245   4.745
   33    HZ   PHE   4           HZ       PHE   4  -4.701  -2.076   5.847
   34    H    ASN   5           H        ASN   5  -2.884  -1.815  -2.229
   35    HA   ASN   5           HA       ASN   5  -0.848  -3.469  -3.647
   36   1HB   ASN   5          1HB       ASN   5  -2.692  -4.908  -3.559
   37   2HB   ASN   5          2HB       ASN   5  -3.871  -3.626  -3.778
   38   1HD2  ASN   5          2HD2      ASN   5  -4.654  -3.205  -5.848
   39   2HD2  ASN   5          1HD2      ASN   5  -3.927  -3.864  -7.292
   40    H    CYS   6           H        CYS   6  -3.680  -1.441  -4.592
   41    HA   CYS   6           HA       CYS   6  -2.037  -0.025  -6.513
   42   1HB   CYS   6          1HB       CYS   6  -3.984   0.706  -7.435
   43   2HB   CYS   6          2HB       CYS   6  -4.304  -0.963  -7.021
   44    H    GLY   7           H        GLY   7  -3.090   0.533  -3.231
   45   1HA   GLY   7          1HA       GLY   7  -2.516   2.241  -1.835
   46   2HA   GLY   7          2HA       GLY   7  -1.761   3.099  -3.173
   47    H    LYS   8           H        LYS   8  -5.098   2.205  -3.695
   48    HA   LYS   8           HA       LYS   8  -5.899   5.017  -3.464
   49   1HB   LYS   8          1HB       LYS   8  -7.235   2.516  -4.498
   50   2HB   LYS   8          2HB       LYS   8  -8.030   4.083  -4.407
   51   1HG   LYS   8          1HG       LYS   8  -6.288   5.064  -5.891
   52   2HG   LYS   8          2HG       LYS   8  -5.493   3.486  -5.993
   53   1HD   LYS   8          1HD       LYS   8  -7.697   2.556  -6.931
   54   2HD   LYS   8          2HD       LYS   8  -8.303   4.217  -6.934
   55   1HE   LYS   8          1HE       LYS   8  -7.550   3.720  -9.156
   56   2HE   LYS   8          2HE       LYS   8  -6.387   4.856  -8.452
   57   1HZ   LYS   8          1HZ       LYS   8  -6.064   1.937  -8.663
   58   2HZ   LYS   8          2HZ       LYS   8  -5.322   3.064  -9.609
   59   3HZ   LYS   8          3HZ       LYS   8  -4.957   2.971  -8.006
   60    HA   PRO   9           HA       PRO   9  -7.584   3.921   0.570
   61   1HB   PRO   9          1HB       PRO   9  -8.854   6.233   1.248
   62   2HB   PRO   9          2HB       PRO   9  -7.079   6.094   1.161
   63   1HG   PRO   9          1HG       PRO   9  -8.969   7.129  -0.981
   64   2HG   PRO   9          2HG       PRO   9  -7.497   7.931  -0.356
   65   1HD   PRO   9          1HD       PRO   9  -7.496   6.432  -2.642
   66   2HD   PRO   9          2HD       PRO   9  -6.088   6.435  -1.533
   67    H    GLY  10           H        GLY  10  -9.722   3.805   1.650
   68   1HA   GLY  10          1HA       GLY  10 -12.044   3.764   1.730
   69   2HA   GLY  10          2HA       GLY  10 -12.151   4.138   0.008
   70    H    HIS  11           H        HIS  11  -9.905   1.623   0.340
   71    HA   HIS  11           HA       HIS  11 -11.715  -0.570   0.775
   72   1HB   HIS  11          1HB       HIS  11 -11.577  -1.623  -1.359
   73   2HB   HIS  11          2HB       HIS  11 -12.304  -0.053  -1.568
   74    HD1  HIS  11           HD1      HIS  11 -10.934   1.687  -3.058
   75    HD2  HIS  11           HD2      HIS  11  -9.144  -2.059  -2.659
   76    HE1  HIS  11           HE1      HIS  11  -9.169   1.452  -4.842
   77    H    THR  12           H        THR  12 -10.432  -2.618   0.057
   78    HA   THR  12           HA       THR  12  -7.648  -2.370   1.148
   79    HB   THR  12           HB       THR  12  -9.584  -4.683   1.619
   80    HG1  THR  12           HG1      THR  12  -9.870  -3.732   3.677
   81   1HG2  THR  12          1HG2      THR  12  -8.060  -5.143   3.543
   82   2HG2  THR  12          2HG2      THR  12  -7.195  -5.247   2.007
   83   3HG2  THR  12          3HG2      THR  12  -7.023  -3.800   3.024
   84    H    ALA  13           H        ALA  13  -6.135  -3.932   0.387
   85    HA   ALA  13           HA       ALA  13  -6.287  -4.410  -2.371
   86   1HB   ALA  13          1HB       ALA  13  -4.565  -5.747  -0.227
   87   2HB   ALA  13          2HB       ALA  13  -4.260  -5.862  -1.973
   88   3HB   ALA  13          3HB       ALA  13  -4.147  -4.289  -1.159
   89    H    ARG  14           H        ARG  14  -7.399  -6.336   0.266
   90    HA   ARG  14           HA       ARG  14  -7.636  -8.847  -0.973
   91   1HB   ARG  14          1HB       ARG  14  -8.057  -8.288   1.446
   92   2HB   ARG  14          2HB       ARG  14  -9.518  -7.444   1.007
   93   1HG   ARG  14          1HG       ARG  14 -10.078  -9.651   1.877
   94   2HG   ARG  14          2HG       ARG  14 -10.584  -9.478   0.201
   95   1HD   ARG  14          1HD       ARG  14  -8.434 -10.764  -0.453
   96   2HD   ARG  14          2HD       ARG  14  -8.176 -11.011   1.274
   97    HE   ARG  14           HE       ARG  14  -9.798 -12.633   1.258
   98   1HH1  ARG  14          1HH2      ARG  14 -10.174 -10.682  -1.714
   99   2HH1  ARG  14          2HH2      ARG  14 -11.315 -11.790  -2.424
  100   1HH2  ARG  14          1HH1      ARG  14 -11.315 -14.045   0.296
  101   2HH2  ARG  14          2HH1      ARG  14 -11.977 -13.692  -1.279
  102    H    MET  15           H        MET  15  -9.714  -6.068  -0.917
  103    HA   MET  15           HA       MET  15 -11.895  -7.209  -2.490
  104   1HB   MET  15          1HB       MET  15 -11.248  -4.372  -1.543
  105   2HB   MET  15          2HB       MET  15 -12.677  -4.840  -2.438
  106   1HG   MET  15          1HG       MET  15 -13.189  -6.510  -0.596
  107   2HG   MET  15          2HG       MET  15 -11.829  -5.841   0.312
  108   1HE   MET  15          1HE       MET  15 -13.332  -5.439   2.412
  109   2HE   MET  15          2HE       MET  15 -14.893  -4.589   2.368
  110   3HE   MET  15          3HE       MET  15 -14.710  -6.150   1.537
  111    H    CYS  16           H        CYS  16  -9.160  -5.062  -3.007
  112    HA   CYS  16           HA       CYS  16  -9.902  -4.044  -5.528
  113   1HB   CYS  16          1HB       CYS  16  -8.340  -2.989  -4.173
  114   2HB   CYS  16          2HB       CYS  16  -7.222  -4.203  -4.181
  115    H    ARG  17           H        ARG  17 -10.045  -5.019  -7.424
  116    HA   ARG  17           HA       ARG  17  -8.693  -7.525  -8.107
  117   1HB   ARG  17          1HB       ARG  17 -11.049  -7.000  -8.679
  118   2HB   ARG  17          2HB       ARG  17 -10.505  -5.664  -9.703
  119   1HG   ARG  17          1HG       ARG  17  -9.339  -7.224 -11.199
  120   2HG   ARG  17          2HG       ARG  17  -9.664  -8.571 -10.091
  121   1HD   ARG  17          1HD       ARG  17 -11.203  -8.650 -11.972
  122   2HD   ARG  17          2HD       ARG  17 -12.094  -8.303 -10.476
  123    HE   ARG  17           HE       ARG  17 -11.351  -5.854 -11.752
  124   1HH1  ARG  17          1HH2      ARG  17 -13.586  -8.576 -12.189
  125   2HH1  ARG  17          2HH2      ARG  17 -14.763  -7.635 -13.067
  126   1HH2  ARG  17          1HH1      ARG  17 -12.905  -4.626 -12.903
  127   2HH2  ARG  17          2HH1      ARG  17 -14.372  -5.377 -13.476
  128    H    GLN  18           H        GLN  18  -8.269  -4.081  -8.564
  129    HA   GLN  18           HA       GLN  18  -6.995  -3.880 -10.986
  130   1HB   GLN  18          1HB       GLN  18  -6.159  -2.198  -8.691
  131   2HB   GLN  18          2HB       GLN  18  -6.244  -1.779 -10.372
  132   1HG   GLN  18          1HG       GLN  18  -8.649  -1.979 -10.414
  133   2HG   GLN  18          2HG       GLN  18  -8.672  -2.247  -8.654
  134   1HE2  GLN  18          2HE2      GLN  18 -10.077  -0.098  -9.824
  135   2HE2  GLN  18          1HE2      GLN  18  -9.326   1.395  -9.308
  136    HA   PRO  19           HA       PRO  19  -2.760  -5.334 -10.484
  137   1HB   PRO  19          1HB       PRO  19  -2.031  -2.719 -11.817
  138   2HB   PRO  19          2HB       PRO  19  -1.505  -4.369 -12.254
  139   1HG   PRO  19          1HG       PRO  19  -3.421  -3.092 -13.707
  140   2HG   PRO  19          2HG       PRO  19  -3.608  -4.824 -13.293
  141   1HD   PRO  19          1HD       PRO  19  -4.956  -2.464 -11.935
  142   2HD   PRO  19          2HD       PRO  19  -5.606  -4.016 -12.378
  143    H    ARG  20           H        ARG  20  -0.588  -4.533  -9.530
  144    HA   ARG  20           HA       ARG  20  -1.085  -2.824  -7.221
  145   1HB   ARG  20          1HB       ARG  20   1.071  -3.538  -6.485
  146   2HB   ARG  20          2HB       ARG  20   0.259  -4.951  -7.173
  147   1HG   ARG  20          1HG       ARG  20   1.496  -4.259  -9.394
  148   2HG   ARG  20          2HG       ARG  20   2.525  -3.330  -8.326
  149   1HD   ARG  20          1HD       ARG  20   2.029  -6.327  -8.262
  150   2HD   ARG  20          2HD       ARG  20   3.538  -5.504  -8.705
  151    HE   ARG  20           HE       ARG  20   2.829  -4.719  -6.072
  152   1HH1  ARG  20          1HH2      ARG  20   3.916  -7.622  -7.799
  153   2HH1  ARG  20          2HH2      ARG  20   4.580  -8.378  -6.375
  154   1HH2  ARG  20          1HH1      ARG  20   3.664  -5.746  -4.195
  155   2HH2  ARG  20          2HH1      ARG  20   4.448  -7.298  -4.320
  156    H    GLN  21           H        GLN  21   0.810  -1.255  -6.752
  157    HA   GLN  21           HA       GLN  21   0.720   0.773  -8.852
  158   1HB   GLN  21          1HB       GLN  21   0.203   1.148  -6.395
  159   2HB   GLN  21          2HB       GLN  21   1.911   0.882  -6.043
  160   1HG   GLN  21          1HG       GLN  21   1.209   3.304  -6.163
  161   2HG   GLN  21          2HG       GLN  21   2.527   2.900  -7.242
  162   1HE2  GLN  21          2HE2      GLN  21  -1.097   3.069  -7.113
  163   2HE2  GLN  21          1HE2      GLN  21  -1.284   3.731  -8.726
  164    H    GLU  22           H        GLU  22   2.835   2.087  -9.111
  165    HA   GLU  22           HA       GLU  22   4.774   0.568 -10.407
  166   1HB   GLU  22          1HB       GLU  22   4.958   3.350  -9.168
  167   2HB   GLU  22          2HB       GLU  22   6.115   2.676 -10.320
  168   1HG   GLU  22          1HG       GLU  22   3.154   3.151 -10.891
  169   2HG   GLU  22          2HG       GLU  22   4.489   4.174 -11.408
  170    H    GLY  23           H        GLY  23   5.011   2.034  -7.177
  171   1HA   GLY  23          1HA       GLY  23   6.869  -0.109  -6.280
  172   2HA   GLY  23          2HA       GLY  23   7.442   1.561  -6.225
  173    H    CYS  24           H        CYS  24   7.258   2.347  -4.209
  174    HA   CYS  24           HA       CYS  24   5.270   1.369  -2.293
  175   1HB   CYS  24          1HB       CYS  24   7.668   1.978  -1.725
  176   2HB   CYS  24          2HB       CYS  24   7.221   3.662  -1.960
  177    H    TRP  25           H        TRP  25   3.256   2.012  -2.725
  178    HA   TRP  25           HA       TRP  25   2.590   4.449  -4.078
  179   1HB   TRP  25          1HB       TRP  25   0.292   3.721  -3.616
  180   2HB   TRP  25          2HB       TRP  25   1.288   2.439  -4.231
  181    HD1  TRP  25           HD1      TRP  25   1.146   0.261  -3.238
  182    HE1  TRP  25           HE1      TRP  25   0.306  -0.758  -0.961
  183    HE3  TRP  25           HE3      TRP  25  -0.190   4.515  -0.984
  184    HZ2  TRP  25           HZ2      TRP  25  -0.759   0.276   1.522
  185    HZ3  TRP  25           HZ3      TRP  25  -0.620   4.553   1.493
  186    HH2  TRP  25           HH2      TRP  25  -1.186   2.421   2.673
  187    H    ASN  26           H        ASN  26   3.040   3.535  -0.748
  188    HA   ASN  26           HA       ASN  26   1.477   5.681   0.451
  189   1HB   ASN  26          1HB       ASN  26   1.744   3.739   1.769
  190   2HB   ASN  26          2HB       ASN  26   3.384   3.528   1.334
  191   1HD2  ASN  26          2HD2      ASN  26   4.783   3.866   3.018
  192   2HD2  ASN  26          1HD2      ASN  26   4.540   5.069   4.262
  193    H    CYS  27           H        CYS  27   4.888   4.900   0.376
  194    HA   CYS  27           HA       CYS  27   5.568   7.644   1.222
  195   1HB   CYS  27          1HB       CYS  27   7.234   6.791   2.287
  196   2HB   CYS  27          2HB       CYS  27   6.540   5.239   1.974
  197    H    GLY  28           H        GLY  28   5.456   5.941  -1.783
  198   1HA   GLY  28          1HA       GLY  28   5.527   6.997  -3.844
  199   2HA   GLY  28          2HA       GLY  28   6.270   8.421  -3.130
  200    H    SER  29           H        SER  29   7.864   5.432  -2.338
  201    HA   SER  29           HA       SER  29  10.194   6.089  -3.952
  202   1HB   SER  29          1HB       SER  29  10.461   5.216  -1.697
  203   2HB   SER  29          2HB       SER  29   9.520   3.763  -2.113
  204    HG   SER  29           HG       SER  29  11.137   3.181  -3.551
  205    H    LYS  30           H        LYS  30  11.117   4.597  -5.420
  206    HA   LYS  30           HA       LYS  30   9.231   2.988  -7.041
  207   1HB   LYS  30          1HB       LYS  30  10.880   3.390  -8.814
  208   2HB   LYS  30          2HB       LYS  30  10.166   4.880  -8.173
  209   1HG   LYS  30          1HG       LYS  30  12.147   5.361  -6.900
  210   2HG   LYS  30          2HG       LYS  30  12.916   3.834  -7.427
  211   1HD   LYS  30          1HD       LYS  30  12.752   4.713  -9.795
  212   2HD   LYS  30          2HD       LYS  30  12.225   6.264  -9.113
  213   1HE   LYS  30          1HE       LYS  30  14.873   4.816  -8.627
  214   2HE   LYS  30          2HE       LYS  30  14.637   6.333  -9.510
  215   1HZ   LYS  30          1HZ       LYS  30  13.915   7.320  -7.430
  216   2HZ   LYS  30          2HZ       LYS  30  14.199   5.907  -6.627
  217   3HZ   LYS  30          3HZ       LYS  30  15.448   6.726  -7.318
  218    H    GLU  31           H        GLU  31  12.269   2.969  -5.239
  219    HA   GLU  31           HA       GLU  31  13.479   0.676  -6.303
  220   1HB   GLU  31          1HB       GLU  31  13.649   1.749  -3.441
  221   2HB   GLU  31          2HB       GLU  31  14.807   0.739  -4.293
  222   1HG   GLU  31          1HG       GLU  31  15.821   2.728  -4.650
  223   2HG   GLU  31          2HG       GLU  31  14.757   2.817  -6.043
  224    H    HIS  32           H        HIS  32  11.373   1.179  -3.555
  225    HA   HIS  32           HA       HIS  32  10.839  -1.772  -3.306
  226   1HB   HIS  32          1HB       HIS  32  10.643  -1.544  -0.907
  227   2HB   HIS  32          2HB       HIS  32  12.163  -1.034  -1.430
  228    HD1  HIS  32           HD1      HIS  32  12.528   1.776  -1.295
  229    HD2  HIS  32           HD2      HIS  32   9.047   0.246   0.354
  230    HE1  HIS  32           HE1      HIS  32  11.417   3.600   0.047
  231    H    ARG  33           H        ARG  33   8.981  -1.854  -1.620
  232    HA   ARG  33           HA       ARG  33   6.610  -0.443  -2.743
  233   1HB   ARG  33          1HB       ARG  33   6.917  -3.365  -1.996
  234   2HB   ARG  33          2HB       ARG  33   5.476  -2.549  -2.534
  235   1HG   ARG  33          1HG       ARG  33   6.702  -1.847  -4.636
  236   2HG   ARG  33          2HG       ARG  33   8.000  -2.963  -4.197
  237   1HD   ARG  33          1HD       ARG  33   6.612  -4.870  -4.434
  238   2HD   ARG  33          2HD       ARG  33   5.121  -3.924  -4.362
  239    HE   ARG  33           HE       ARG  33   6.746  -4.452  -6.702
  240   1HH1  ARG  33          1HH2      ARG  33   4.564  -2.037  -5.246
  241   2HH1  ARG  33          2HH2      ARG  33   4.013  -1.447  -6.792
  242   1HH2  ARG  33          1HH1      ARG  33   6.028  -3.576  -8.729
  243   2HH2  ARG  33          2HH1      ARG  33   4.859  -2.274  -8.733
  244    H    PHE  34           H        PHE  34   4.705  -0.599  -1.409
  245    HA   PHE  34           HA       PHE  34   5.121   0.518   1.156
  246   1HB   PHE  34          1HB       PHE  34   3.103   1.077   0.163
  247   2HB   PHE  34          2HB       PHE  34   2.735  -0.533  -0.329
  248    HD1  PHE  34           HD1      PHE  34   3.026   1.653   2.705
  249    HD2  PHE  34           HD2      PHE  34   1.494  -2.049   1.106
  250    HE1  PHE  34           HE1      PHE  34   1.757   1.279   4.791
  251    HE2  PHE  34           HE2      PHE  34   0.327  -2.477   3.249
  252    HZ   PHE  34           HZ       PHE  34   0.404  -0.789   5.071
  253    H    ALA  35           H        ALA  35   4.296  -2.803   0.266
  254    HA   ALA  35           HA       ALA  35   4.019  -3.982   2.772
  255   1HB   ALA  35          1HB       ALA  35   3.634  -5.152   0.641
  256   2HB   ALA  35          2HB       ALA  35   5.380  -5.137   0.303
  257   3HB   ALA  35          3HB       ALA  35   4.746  -6.074   1.674
  258    H    GLN  36           H        GLN  36   7.032  -3.184   1.068
  259    HA   GLN  36           HA       GLN  36   8.802  -4.329   3.060
  260   1HB   GLN  36          1HB       GLN  36   9.315  -2.381   0.777
  261   2HB   GLN  36          2HB       GLN  36  10.524  -3.302   1.628
  262   1HG   GLN  36          1HG       GLN  36   8.296  -4.459  -0.135
  263   2HG   GLN  36          2HG       GLN  36   9.977  -4.248  -0.581
  264   1HE2  GLN  36          2HE2      GLN  36   7.739  -6.097   1.481
  265   2HE2  GLN  36          1HE2      GLN  36   8.843  -7.418   1.801
  266    H    CYS  37           H        CYS  37   7.484  -1.149   2.270
  267    HA   CYS  37           HA       CYS  37   9.300   0.451   3.673
  268   1HB   CYS  37          1HB       CYS  37   7.547   1.083   1.948
  269   2HB   CYS  37          2HB       CYS  37   6.387   1.125   3.231
  270    HA   PRO  38           HA       PRO  38   8.030  -0.354   7.973
  271   1HB   PRO  38          1HB       PRO  38   9.228   2.423   8.236
  272   2HB   PRO  38          2HB       PRO  38   9.417   1.026   9.330
  273   1HG   PRO  38          1HG       PRO  38  11.380   1.623   7.561
  274   2HG   PRO  38          2HG       PRO  38  10.852  -0.079   7.738
  275   1HD   PRO  38          1HD       PRO  38  10.061   1.897   5.579
  276   2HD   PRO  38          2HD       PRO  38  10.533   0.173   5.453
  277    H    LYS  39           H        LYS  39   7.453   2.645   6.210
  278    HA   LYS  39           HA       LYS  39   5.141   3.478   7.848
  279   1HB   LYS  39          1HB       LYS  39   6.720   4.669   5.528
  280   2HB   LYS  39          2HB       LYS  39   5.268   5.428   6.150
  281   1HG   LYS  39          1HG       LYS  39   7.752   4.836   7.819
  282   2HG   LYS  39          2HG       LYS  39   7.398   6.383   7.035
  283   1HD   LYS  39          1HD       LYS  39   5.281   6.566   8.333
  284   2HD   LYS  39          2HD       LYS  39   5.692   5.091   9.220
  285   1HE   LYS  39          1HE       LYS  39   7.359   7.643   9.190
  286   2HE   LYS  39          2HE       LYS  39   6.249   7.144  10.479
  287   1HZ   LYS  39          1HZ       LYS  39   7.588   5.193  10.802
  288   2HZ   LYS  39          2HZ       LYS  39   8.641   5.672   9.628
  289   3HZ   LYS  39          3HZ       LYS  39   8.481   6.563  11.004
  Start of MODEL   15
    1   1H    LEU   1          1H        LEU   1  -9.304   1.669   8.805
    2   2H    LEU   1          2H        LEU   1  -8.033   2.648   8.299
    3   3H    LEU   1          3H        LEU   1  -9.540   2.779   7.564
    4    HA   LEU   1           HA       LEU   1  -7.730   0.484   7.503
    5   1HB   LEU   1          1HB       LEU   1  -9.214  -0.706   6.165
    6   2HB   LEU   1          2HB       LEU   1 -10.156  -0.128   7.535
    7    HG   LEU   1           HG       LEU   1 -10.198   0.986   4.685
    8   1HD1  LEU   1          1HD2      LEU   1 -11.240  -1.228   4.937
    9   2HD1  LEU   1          2HD2      LEU   1 -12.237  -0.620   6.275
   10   3HD1  LEU   1          3HD2      LEU   1 -12.464   0.015   4.634
   11   1HD2  LEU   1          1HD1      LEU   1 -11.785   1.835   7.146
   12   2HD2  LEU   1          2HD1      LEU   1 -10.758   2.861   6.111
   13   3HD2  LEU   1          3HD1      LEU   1 -12.264   2.212   5.480
   14    H    THR   2           H        THR   2  -6.580   0.128   5.539
   15    HA   THR   2           HA       THR   2  -6.970   1.944   3.340
   16    HB   THR   2           HB       THR   2  -5.518   3.333   4.789
   17    HG1  THR   2           HG1      THR   2  -5.256   3.518   2.581
   18   1HG2  THR   2          1HG2      THR   2  -3.437   1.122   4.491
   19   2HG2  THR   2          2HG2      THR   2  -3.224   2.696   5.278
   20   3HG2  THR   2          3HG2      THR   2  -4.313   1.496   5.992
   21    H    CYS   3           H        CYS   3  -6.175   1.244   1.441
   22    HA   CYS   3           HA       CYS   3  -5.926  -1.562   1.220
   23   1HB   CYS   3          1HB       CYS   3  -7.070  -0.106  -0.385
   24   2HB   CYS   3          2HB       CYS   3  -5.545   0.598  -0.875
   25    H    PHE   4           H        PHE   4  -4.015  -2.715   1.671
   26    HA   PHE   4           HA       PHE   4  -1.427  -1.615   1.497
   27   1HB   PHE   4          1HB       PHE   4  -2.455  -4.461   1.821
   28   2HB   PHE   4          2HB       PHE   4  -0.988  -3.745   2.422
   29    HD1  PHE   4           HD1      PHE   4  -1.706  -1.352   3.866
   30    HD2  PHE   4           HD2      PHE   4  -3.797  -5.118   3.638
   31    HE1  PHE   4           HE1      PHE   4  -2.728  -0.915   6.069
   32    HE2  PHE   4           HE2      PHE   4  -4.822  -4.668   5.845
   33    HZ   PHE   4           HZ       PHE   4  -4.302  -2.566   7.061
   34    H    ASN   5           H        ASN   5  -3.081  -1.904  -1.101
   35    HA   ASN   5           HA       ASN   5  -1.225  -3.610  -2.711
   36   1HB   ASN   5          1HB       ASN   5  -3.267  -4.796  -2.390
   37   2HB   ASN   5          2HB       ASN   5  -4.264  -3.423  -2.732
   38   1HD2  ASN   5          2HD2      ASN   5  -4.809  -2.887  -4.809
   39   2HD2  ASN   5          1HD2      ASN   5  -4.375  -3.839  -6.209
   40    H    CYS   6           H        CYS   6  -3.965  -1.405  -3.404
   41    HA   CYS   6           HA       CYS   6  -2.358  -0.002  -5.388
   42   1HB   CYS   6          1HB       CYS   6  -4.310   0.857  -6.179
   43   2HB   CYS   6          2HB       CYS   6  -4.697  -0.805  -5.801
   44    H    GLY   7           H        GLY   7  -3.148   0.426  -2.031
   45   1HA   GLY   7          1HA       GLY   7  -2.186   1.981  -0.653
   46   2HA   GLY   7          2HA       GLY   7  -1.700   2.944  -2.040
   47    H    LYS   8           H        LYS   8  -5.154   2.294  -2.184
   48    HA   LYS   8           HA       LYS   8  -5.623   5.081  -1.553
   49   1HB   LYS   8          1HB       LYS   8  -6.846   2.822  -3.093
   50   2HB   LYS   8          2HB       LYS   8  -7.868   4.036  -2.453
   51   1HG   LYS   8          1HG       LYS   8  -7.230   4.617  -4.719
   52   2HG   LYS   8          2HG       LYS   8  -6.578   5.811  -3.581
   53   1HD   LYS   8          1HD       LYS   8  -4.352   4.739  -3.699
   54   2HD   LYS   8          2HD       LYS   8  -4.980   3.524  -4.824
   55   1HE   LYS   8          1HE       LYS   8  -4.879   6.538  -5.312
   56   2HE   LYS   8          2HE       LYS   8  -3.703   5.360  -5.916
   57   1HZ   LYS   8          1HZ       LYS   8  -5.459   4.310  -7.142
   58   2HZ   LYS   8          2HZ       LYS   8  -6.553   5.426  -6.610
   59   3HZ   LYS   8          3HZ       LYS   8  -5.300   5.893  -7.570
   60    HA   PRO   9           HA       PRO   9  -7.370   3.825   2.451
   61   1HB   PRO   9          1HB       PRO   9  -8.526   6.600   2.185
   62   2HB   PRO   9          2HB       PRO   9  -7.800   5.831   3.628
   63   1HG   PRO   9          1HG       PRO   9  -6.356   7.601   2.173
   64   2HG   PRO   9          2HG       PRO   9  -5.596   6.070   2.706
   65   1HD   PRO   9          1HD       PRO   9  -6.763   6.710  -0.021
   66   2HD   PRO   9          2HD       PRO   9  -5.214   5.927   0.419
   67    H    GLY  10           H        GLY  10  -9.602   3.659   3.372
   68   1HA   GLY  10          1HA       GLY  10 -11.942   3.871   3.248
   69   2HA   GLY  10          2HA       GLY  10 -11.874   4.117   1.502
   70    H    HIS  11           H        HIS  11  -9.766   1.640   1.834
   71    HA   HIS  11           HA       HIS  11 -11.594  -0.547   2.419
   72   1HB   HIS  11          1HB       HIS  11 -11.311  -1.703   0.261
   73   2HB   HIS  11          2HB       HIS  11 -12.197  -0.301   0.099
   74    HD1  HIS  11           HD1      HIS  11 -10.777   1.854  -1.122
   75    HD2  HIS  11           HD2      HIS  11  -9.261  -1.994  -1.271
   76    HE1  HIS  11           HE1      HIS  11  -9.110   1.763  -3.022
   77    H    THR  12           H        THR  12 -10.299  -2.510   1.501
   78    HA   THR  12           HA       THR  12  -7.503  -2.422   2.589
   79    HB   THR  12           HB       THR  12  -9.513  -4.649   3.138
   80    HG1  THR  12           HG1      THR  12  -8.705  -2.472   4.762
   81   1HG2  THR  12          1HG2      THR  12  -7.888  -5.230   4.943
   82   2HG2  THR  12          2HG2      THR  12  -7.146  -5.368   3.345
   83   3HG2  THR  12          3HG2      THR  12  -6.803  -3.952   4.362
   84    H    ALA  13           H        ALA  13  -6.080  -4.006   1.715
   85    HA   ALA  13           HA       ALA  13  -6.324  -4.400  -1.045
   86   1HB   ALA  13          1HB       ALA  13  -4.621  -5.851   1.039
   87   2HB   ALA  13          2HB       ALA  13  -4.373  -5.985  -0.713
   88   3HB   ALA  13          3HB       ALA  13  -4.159  -4.416   0.093
   89    H    ARG  14           H        ARG  14  -7.454  -6.358   1.583
   90    HA   ARG  14           HA       ARG  14  -7.871  -8.876   0.410
   91   1HB   ARG  14          1HB       ARG  14  -8.193  -8.108   2.793
   92   2HB   ARG  14          2HB       ARG  14  -9.678  -7.313   2.318
   93   1HG   ARG  14          1HG       ARG  14 -10.636  -9.497   1.590
   94   2HG   ARG  14          2HG       ARG  14  -9.114 -10.302   2.018
   95   1HD   ARG  14          1HD       ARG  14  -9.437  -9.589   4.400
   96   2HD   ARG  14          2HD       ARG  14 -10.934  -8.776   3.935
   97    HE   ARG  14           HE       ARG  14 -12.054 -10.757   3.898
   98   1HH1  ARG  14          1HH1      ARG  14  -8.578 -11.498   3.911
   99   2HH1  ARG  14          2HH1      ARG  14  -8.820 -13.206   4.165
  100   1HH2  ARG  14          1HH2      ARG  14 -12.350 -12.996   4.222
  101   2HH2  ARG  14          2HH2      ARG  14 -10.973 -14.061   4.337
  102    H    MET  15           H        MET  15  -9.790  -5.933   0.409
  103    HA   MET  15           HA       MET  15 -12.004  -7.026  -1.158
  104   1HB   MET  15          1HB       MET  15 -11.381  -4.238  -0.076
  105   2HB   MET  15          2HB       MET  15 -12.857  -4.707  -0.907
  106   1HG   MET  15          1HG       MET  15 -13.237  -6.464   0.861
  107   2HG   MET  15          2HG       MET  15 -11.810  -5.867   1.707
  108   1HE   MET  15          1HE       MET  15 -15.491  -5.185   0.652
  109   2HE   MET  15          2HE       MET  15 -15.822  -3.589   1.361
  110   3HE   MET  15          3HE       MET  15 -14.757  -3.721  -0.050
  111    H    CYS  16           H        CYS  16  -9.109  -5.101  -1.727
  112    HA   CYS  16           HA       CYS  16 -10.013  -3.889  -4.152
  113   1HB   CYS  16          1HB       CYS  16  -8.372  -2.878  -2.766
  114   2HB   CYS  16          2HB       CYS  16  -7.293  -4.097  -2.865
  115    H    ARG  17           H        ARG  17 -10.000  -4.584  -6.129
  116    HA   ARG  17           HA       ARG  17  -8.624  -7.065  -7.001
  117   1HB   ARG  17          1HB       ARG  17 -11.060  -6.766  -7.305
  118   2HB   ARG  17          2HB       ARG  17 -10.773  -5.345  -8.317
  119   1HG   ARG  17          1HG       ARG  17  -9.625  -6.669  -9.994
  120   2HG   ARG  17          2HG       ARG  17  -9.647  -8.109  -8.956
  121   1HD   ARG  17          1HD       ARG  17 -12.109  -6.689 -10.064
  122   2HD   ARG  17          2HD       ARG  17 -11.371  -8.148 -10.759
  123    HE   ARG  17           HE       ARG  17 -11.870  -8.703  -8.050
  124   1HH1  ARG  17          1HH1      ARG  17 -13.747  -8.013 -10.981
  125   2HH1  ARG  17          2HH1      ARG  17 -15.142  -8.921 -10.456
  126   1HH2  ARG  17          1HH2      ARG  17 -13.705  -9.887  -7.368
  127   2HH2  ARG  17          2HH2      ARG  17 -15.115  -9.996  -8.390
  128    H    GLN  18           H        GLN  18  -8.539  -3.625  -7.215
  129    HA   GLN  18           HA       GLN  18  -7.554  -2.950  -9.678
  130   1HB   GLN  18          1HB       GLN  18  -6.545  -1.642  -7.210
  131   2HB   GLN  18          2HB       GLN  18  -6.838  -0.918  -8.747
  132   1HG   GLN  18          1HG       GLN  18  -9.197  -1.128  -8.626
  133   2HG   GLN  18          2HG       GLN  18  -9.116  -1.903  -7.037
  134   1HE2  GLN  18          2HE2      GLN  18  -8.352   1.154  -8.738
  135   2HE2  GLN  18          1HE2      GLN  18  -8.448   2.155  -7.305
  136    HA   PRO  19           HA       PRO  19  -3.390  -4.210 -10.317
  137   1HB   PRO  19          1HB       PRO  19  -2.812  -1.252 -10.520
  138   2HB   PRO  19          2HB       PRO  19  -2.179  -2.609 -11.508
  139   1HG   PRO  19          1HG       PRO  19  -4.315  -1.142 -12.401
  140   2HG   PRO  19          2HG       PRO  19  -4.358  -2.927 -12.525
  141   1HD   PRO  19          1HD       PRO  19  -5.707  -1.191 -10.446
  142   2HD   PRO  19          2HD       PRO  19  -6.324  -2.608 -11.240
  143    H    ARG  20           H        ARG  20  -1.541  -4.605  -9.278
  144    HA   ARG  20           HA       ARG  20  -1.386  -4.167  -6.530
  145   1HB   ARG  20          1HB       ARG  20   0.253  -5.512  -8.731
  146   2HB   ARG  20          2HB       ARG  20   0.925  -5.427  -7.109
  147   1HG   ARG  20          1HG       ARG  20  -0.204  -7.494  -7.306
  148   2HG   ARG  20          2HG       ARG  20  -0.986  -6.426  -6.151
  149   1HD   ARG  20          1HD       ARG  20  -2.642  -7.715  -7.376
  150   2HD   ARG  20          2HD       ARG  20  -2.851  -5.974  -7.537
  151    HE   ARG  20           HE       ARG  20  -1.274  -7.161  -9.687
  152   1HH1  ARG  20          1HH1      ARG  20  -4.589  -6.478  -8.571
  153   2HH1  ARG  20          2HH1      ARG  20  -5.302  -6.696 -10.140
  154   1HH2  ARG  20          1HH2      ARG  20  -2.225  -7.380 -11.767
  155   2HH2  ARG  20          2HH2      ARG  20  -3.946  -7.176 -11.975
  156    H    GLN  21           H        GLN  21   0.923  -3.954  -5.635
  157    HA   GLN  21           HA       GLN  21   1.416  -1.121  -5.657
  158   1HB   GLN  21          1HB       GLN  21   1.433  -2.470  -3.631
  159   2HB   GLN  21          2HB       GLN  21   2.824  -3.400  -4.233
  160   1HG   GLN  21          1HG       GLN  21   4.230  -1.404  -4.148
  161   2HG   GLN  21          2HG       GLN  21   2.816  -0.405  -3.770
  162   1HE2  GLN  21          2HE2      GLN  21   2.993  -3.558  -2.185
  163   2HE2  GLN  21          1HE2      GLN  21   3.493  -2.949  -0.627
  164    H    GLU  22           H        GLU  22   3.046  -0.036  -6.453
  165    HA   GLU  22           HA       GLU  22   4.943  -1.223  -8.368
  166   1HB   GLU  22          1HB       GLU  22   4.245   1.667  -7.660
  167   2HB   GLU  22          2HB       GLU  22   5.344   1.127  -8.933
  168   1HG   GLU  22          1HG       GLU  22   3.419  -0.151  -9.954
  169   2HG   GLU  22          2HG       GLU  22   2.348   0.579  -8.751
  170    H    GLY  23           H        GLY  23   5.074   1.220  -5.785
  171   1HA   GLY  23          1HA       GLY  23   7.399   0.002  -4.478
  172   2HA   GLY  23          2HA       GLY  23   7.518   1.689  -5.042
  173    H    CYS  24           H        CYS  24   7.633   2.200  -2.740
  174    HA   CYS  24           HA       CYS  24   5.573   1.523  -0.867
  175   1HB   CYS  24          1HB       CYS  24   7.959   2.204  -0.352
  176   2HB   CYS  24          2HB       CYS  24   7.480   3.861  -0.634
  177    H    TRP  25           H        TRP  25   3.545   2.075  -1.408
  178    HA   TRP  25           HA       TRP  25   2.778   4.533  -2.694
  179   1HB   TRP  25          1HB       TRP  25   0.504   3.708  -2.232
  180   2HB   TRP  25          2HB       TRP  25   1.491   2.515  -2.994
  181    HD1  TRP  25           HD1      TRP  25   1.502   0.256  -1.928
  182    HE1  TRP  25           HE1      TRP  25   0.672  -0.807   0.319
  183    HE3  TRP  25           HE3      TRP  25  -0.196   4.422   0.249
  184    HZ2  TRP  25           HZ2      TRP  25  -0.530   0.150   2.755
  185    HZ3  TRP  25           HZ3      TRP  25  -1.131   4.400   2.595
  186    HH2  TRP  25           HH2      TRP  25  -1.301   2.250   3.827
  187    H    ASN  26           H        ASN  26   3.309   3.539   0.624
  188    HA   ASN  26           HA       ASN  26   1.556   5.456   1.880
  189   1HB   ASN  26          1HB       ASN  26   1.760   3.705   3.266
  190   2HB   ASN  26          2HB       ASN  26   3.225   3.146   2.536
  191   1HD2  ASN  26          2HD2      ASN  26   5.009   3.118   3.716
  192   2HD2  ASN  26          1HD2      ASN  26   5.304   4.074   5.126
  193    H    CYS  27           H        CYS  27   5.106   5.102   1.594
  194    HA   CYS  27           HA       CYS  27   5.421   7.869   2.582
  195   1HB   CYS  27          1HB       CYS  27   7.216   7.239   3.598
  196   2HB   CYS  27          2HB       CYS  27   6.596   5.635   3.441
  197    H    GLY  28           H        GLY  28   5.587   6.089  -0.415
  198   1HA   GLY  28          1HA       GLY  28   5.612   7.110  -2.495
  199   2HA   GLY  28          2HA       GLY  28   6.154   8.624  -1.785
  200    H    SER  29           H        SER  29   7.874   5.640  -1.097
  201    HA   SER  29           HA       SER  29  10.254   6.556  -2.603
  202   1HB   SER  29          1HB       SER  29  10.576   5.881  -0.268
  203   2HB   SER  29          2HB       SER  29   9.815   4.311  -0.613
  204    HG   SER  29           HG       SER  29  12.331   5.276  -1.406
  205    H    LYS  30           H        LYS  30  11.160   5.315  -4.201
  206    HA   LYS  30           HA       LYS  30   9.516   3.225  -5.518
  207   1HB   LYS  30          1HB       LYS  30  11.906   4.918  -6.342
  208   2HB   LYS  30          2HB       LYS  30  11.207   3.637  -7.335
  209   1HG   LYS  30          1HG       LYS  30   9.003   4.794  -7.288
  210   2HG   LYS  30          2HG       LYS  30   9.709   6.122  -6.368
  211   1HD   LYS  30          1HD       LYS  30  10.481   5.226  -9.185
  212   2HD   LYS  30          2HD       LYS  30   9.519   6.648  -8.774
  213   1HE   LYS  30          1HE       LYS  30  12.473   6.206  -8.133
  214   2HE   LYS  30          2HE       LYS  30  11.789   7.315  -9.323
  215   1HZ   LYS  30          1HZ       LYS  30  10.743   8.509  -7.535
  216   2HZ   LYS  30          2HZ       LYS  30  11.405   7.491  -6.420
  217   3HZ   LYS  30          3HZ       LYS  30  12.378   8.453  -7.336
  218    H    GLU  31           H        GLU  31  12.357   3.620  -3.482
  219    HA   GLU  31           HA       GLU  31  14.091   1.690  -4.371
  220   1HB   GLU  31          1HB       GLU  31  13.489   2.921  -1.636
  221   2HB   GLU  31          2HB       GLU  31  14.985   2.221  -2.179
  222   1HG   GLU  31          1HG       GLU  31  15.387   4.001  -3.743
  223   2HG   GLU  31          2HG       GLU  31  13.821   4.736  -3.469
  224    H    HIS  32           H        HIS  32  11.510   1.765  -1.970
  225    HA   HIS  32           HA       HIS  32  11.409  -1.219  -1.774
  226   1HB   HIS  32          1HB       HIS  32  11.103  -1.041   0.666
  227   2HB   HIS  32          2HB       HIS  32  12.615  -0.481   0.166
  228    HD1  HIS  32           HD1      HIS  32  12.862   2.356   0.293
  229    HD2  HIS  32           HD2      HIS  32   9.402   0.702   1.849
  230    HE1  HIS  32           HE1      HIS  32  11.598   4.168   1.513
  231    H    ARG  33           H        ARG  33   9.515  -1.534  -0.134
  232    HA   ARG  33           HA       ARG  33   7.074  -0.282  -1.288
  233   1HB   ARG  33          1HB       ARG  33   7.240  -3.079  -0.235
  234   2HB   ARG  33          2HB       ARG  33   6.074  -2.335  -1.263
  235   1HG   ARG  33          1HG       ARG  33   7.612  -2.133  -3.136
  236   2HG   ARG  33          2HG       ARG  33   8.896  -2.938  -2.212
  237   1HD   ARG  33          1HD       ARG  33   7.728  -4.998  -2.132
  238   2HD   ARG  33          2HD       ARG  33   6.215  -4.287  -2.687
  239    HE   ARG  33           HE       ARG  33   8.556  -5.052  -4.295
  240   1HH1  ARG  33          1HH1      ARG  33   5.519  -3.206  -4.256
  241   2HH1  ARG  33          2HH1      ARG  33   5.372  -3.180  -5.995
  242   1HH2  ARG  33          1HH2      ARG  33   8.375  -4.935  -6.584
  243   2HH2  ARG  33          2HH2      ARG  33   7.022  -4.106  -7.312
  244    H    PHE  34           H        PHE  34   5.148  -0.707   0.004
  245    HA   PHE  34           HA       PHE  34   5.421   0.656   2.507
  246   1HB   PHE  34          1HB       PHE  34   3.386   1.069   1.525
  247   2HB   PHE  34          2HB       PHE  34   3.144  -0.537   0.974
  248    HD1  PHE  34           HD1      PHE  34   3.220   1.467   4.155
  249    HD2  PHE  34           HD2      PHE  34   1.849  -2.128   2.205
  250    HE1  PHE  34           HE1      PHE  34   1.833   0.932   6.123
  251    HE2  PHE  34           HE2      PHE  34   0.550  -2.715   4.230
  252    HZ   PHE  34           HZ       PHE  34   0.491  -1.163   6.169
  253    H    ALA  35           H        ALA  35   4.811  -2.729   1.756
  254    HA   ALA  35           HA       ALA  35   4.572  -3.828   4.310
  255   1HB   ALA  35          1HB       ALA  35   4.277  -5.102   2.222
  256   2HB   ALA  35          2HB       ALA  35   6.021  -4.996   1.896
  257   3HB   ALA  35          3HB       ALA  35   5.431  -5.914   3.299
  258    H    GLN  36           H        GLN  36   7.537  -2.877   2.604
  259    HA   GLN  36           HA       GLN  36   9.364  -3.870   4.624
  260   1HB   GLN  36          1HB       GLN  36   9.759  -1.931   2.311
  261   2HB   GLN  36          2HB       GLN  36  11.026  -2.751   3.186
  262   1HG   GLN  36          1HG       GLN  36   8.891  -4.092   1.435
  263   2HG   GLN  36          2HG       GLN  36  10.555  -3.769   0.990
  264   1HE2  GLN  36          2HE2      GLN  36   8.452  -5.725   3.104
  265   2HE2  GLN  36          1HE2      GLN  36   9.644  -6.963   3.439
  266    H    CYS  37           H        CYS  37   7.854  -0.789   3.786
  267    HA   CYS  37           HA       CYS  37   9.560   0.924   5.216
  268   1HB   CYS  37          1HB       CYS  37   7.836   1.419   3.412
  269   2HB   CYS  37          2HB       CYS  37   6.634   1.458   4.666
  270    HA   PRO  38           HA       PRO  38   8.149   0.216   9.478
  271   1HB   PRO  38          1HB       PRO  38   9.042   3.106   9.701
  272   2HB   PRO  38          2HB       PRO  38   9.338   1.763  10.839
  273   1HG   PRO  38          1HG       PRO  38  11.289   2.539   9.123
  274   2HG   PRO  38          2HG       PRO  38  10.956   0.796   9.353
  275   1HD   PRO  38          1HD       PRO  38  10.057   2.567   7.064
  276   2HD   PRO  38          2HD       PRO  38  10.705   0.898   7.060
  277    H    LYS  39           H        LYS  39   7.392   3.101   7.593
  278    HA   LYS  39           HA       LYS  39   4.979   3.870   9.057
  279   1HB   LYS  39          1HB       LYS  39   6.388   4.784   6.518
  280   2HB   LYS  39          2HB       LYS  39   4.818   5.425   6.993
  281   1HG   LYS  39          1HG       LYS  39   5.737   6.176   9.149
  282   2HG   LYS  39          2HG       LYS  39   7.330   5.518   8.713
  283   1HD   LYS  39          1HD       LYS  39   7.489   7.076   6.812
  284   2HD   LYS  39          2HD       LYS  39   5.834   7.635   7.099
  285   1HE   LYS  39          1HE       LYS  39   7.422   9.271   7.963
  286   2HE   LYS  39          2HE       LYS  39   6.481   8.565   9.287
  287   1HZ   LYS  39          1HZ       LYS  39   9.212   7.788   8.527
  288   2HZ   LYS  39          2HZ       LYS  39   8.800   8.735   9.810
  289   3HZ   LYS  39          3HZ       LYS  39   8.342   7.154   9.777
  Start of MODEL   16
    1   1H    LEU   1          1H        LEU   1 -10.055   1.501   8.904
    2   2H    LEU   1          2H        LEU   1  -8.874   2.587   8.398
    3   3H    LEU   1          3H        LEU   1 -10.353   2.520   7.599
    4    HA   LEU   1           HA       LEU   1  -8.310   0.432   7.727
    5   1HB   LEU   1          1HB       LEU   1  -9.598  -0.967   6.383
    6   2HB   LEU   1          2HB       LEU   1 -10.654  -0.439   7.689
    7    HG   LEU   1           HG       LEU   1 -10.690   0.560   4.795
    8   1HD1  LEU   1          1HD2      LEU   1 -11.487  -1.748   5.087
    9   2HD1  LEU   1          2HD2      LEU   1 -12.615  -1.211   6.349
   10   3HD1  LEU   1          3HD2      LEU   1 -12.821  -0.662   4.673
   11   1HD2  LEU   1          1HD1      LEU   1 -12.463   1.306   7.162
   12   2HD2  LEU   1          2HD1      LEU   1 -11.525   2.405   6.117
   13   3HD2  LEU   1          3HD1      LEU   1 -12.922   1.561   5.468
   14    H    THR   2           H        THR   2  -7.011   0.138   5.859
   15    HA   THR   2           HA       THR   2  -7.525   1.797   3.554
   16    HB   THR   2           HB       THR   2  -6.203   3.341   5.010
   17    HG1  THR   2           HG1      THR   2  -4.657   3.778   3.379
   18   1HG2  THR   2          1HG2      THR   2  -3.923   1.336   4.657
   19   2HG2  THR   2          2HG2      THR   2  -3.838   2.925   5.433
   20   3HG2  THR   2          3HG2      THR   2  -4.789   1.631   6.183
   21    H    CYS   3           H        CYS   3  -6.577   1.166   1.717
   22    HA   CYS   3           HA       CYS   3  -6.111  -1.613   1.514
   23   1HB   CYS   3          1HB       CYS   3  -7.262  -0.287  -0.144
   24   2HB   CYS   3          2HB       CYS   3  -5.802   0.600  -0.533
   25    H    PHE   4           H        PHE   4  -4.284  -2.726   1.754
   26    HA   PHE   4           HA       PHE   4  -1.707  -1.391   2.025
   27   1HB   PHE   4          1HB       PHE   4  -2.438  -4.311   2.366
   28   2HB   PHE   4          2HB       PHE   4  -1.048  -3.462   3.027
   29    HD1  PHE   4           HD1      PHE   4  -4.043  -4.904   3.972
   30    HD2  PHE   4           HD2      PHE   4  -1.886  -1.202   4.465
   31    HE1  PHE   4           HE1      PHE   4  -5.280  -4.446   6.068
   32    HE2  PHE   4           HE2      PHE   4  -3.144  -0.739   6.536
   33    HZ   PHE   4           HZ       PHE   4  -4.849  -2.361   7.345
   34    H    ASN   5           H        ASN   5  -2.839  -1.430  -0.610
   35    HA   ASN   5           HA       ASN   5  -0.763  -2.931  -2.115
   36   1HB   ASN   5          1HB       ASN   5  -2.578  -4.484  -2.036
   37   2HB   ASN   5          2HB       ASN   5  -3.771  -3.254  -2.440
   38   1HD2  ASN   5          2HD2      ASN   5  -3.924  -2.456  -4.623
   39   2HD2  ASN   5          1HD2      ASN   5  -3.192  -3.335  -5.942
   40    H    CYS   6           H        CYS   6  -3.733  -0.931  -2.805
   41    HA   CYS   6           HA       CYS   6  -2.213   0.589  -4.781
   42   1HB   CYS   6          1HB       CYS   6  -4.235   1.107  -5.712
   43   2HB   CYS   6          2HB       CYS   6  -4.427  -0.562  -5.266
   44    H    GLY   7           H        GLY   7  -3.403   0.856  -1.500
   45   1HA   GLY   7          1HA       GLY   7  -2.969   2.480   0.030
   46   2HA   GLY   7          2HA       GLY   7  -2.147   3.409  -1.227
   47    H    LYS   8           H        LYS   8  -5.566   2.470  -1.566
   48    HA   LYS   8           HA       LYS   8  -6.364   5.304  -1.242
   49   1HB   LYS   8          1HB       LYS   8  -7.058   3.004  -2.934
   50   2HB   LYS   8          2HB       LYS   8  -8.432   3.743  -2.228
   51   1HG   LYS   8          1HG       LYS   8  -6.340   5.528  -3.521
   52   2HG   LYS   8          2HG       LYS   8  -7.295   4.484  -4.562
   53   1HD   LYS   8          1HD       LYS   8  -8.259   6.659  -4.519
   54   2HD   LYS   8          2HD       LYS   8  -9.392   5.493  -3.842
   55   1HE   LYS   8          1HE       LYS   8  -7.599   7.179  -2.041
   56   2HE   LYS   8          2HE       LYS   8  -9.076   7.847  -2.741
   57   1HZ   LYS   8          1HZ       LYS   8 -10.346   6.142  -1.731
   58   2HZ   LYS   8          2HZ       LYS   8  -9.019   5.458  -1.046
   59   3HZ   LYS   8          3HZ       LYS   8  -9.492   6.964  -0.594
   60    HA   PRO   9           HA       PRO   9  -7.875   3.701   2.739
   61   1HB   PRO   9          1HB       PRO   9  -9.054   6.482   2.719
   62   2HB   PRO   9          2HB       PRO   9  -8.316   5.598   4.088
   63   1HG   PRO   9          1HG       PRO   9  -6.868   7.468   2.772
   64   2HG   PRO   9          2HG       PRO   9  -6.117   5.890   3.163
   65   1HD   PRO   9          1HD       PRO   9  -7.309   6.781   0.528
   66   2HD   PRO   9          2HD       PRO   9  -5.767   5.936   0.856
   67    H    GLY  10           H        GLY  10 -10.018   3.236   3.623
   68   1HA   GLY  10          1HA       GLY  10 -12.393   3.400   3.561
   69   2HA   GLY  10          2HA       GLY  10 -12.363   3.744   1.832
   70    H    HIS  11           H        HIS  11 -10.123   1.397   1.895
   71    HA   HIS  11           HA       HIS  11 -11.851  -0.932   2.364
   72   1HB   HIS  11          1HB       HIS  11 -11.511  -1.925   0.169
   73   2HB   HIS  11          2HB       HIS  11 -12.364  -0.500   0.033
   74    HD1  HIS  11           HD1      HIS  11 -10.941   1.666  -1.075
   75    HD2  HIS  11           HD2      HIS  11  -9.372  -2.138  -1.251
   76    HE1  HIS  11           HE1      HIS  11  -9.173   1.645  -2.890
   77    H    THR  12           H        THR  12 -10.408  -2.741   1.316
   78    HA   THR  12           HA       THR  12  -7.695  -2.641   2.595
   79    HB   THR  12           HB       THR  12  -9.668  -4.934   2.938
   80    HG1  THR  12           HG1      THR  12  -8.983  -2.803   4.676
   81   1HG2  THR  12          1HG2      THR  12  -8.116  -5.558   4.795
   82   2HG2  THR  12          2HG2      THR  12  -7.305  -5.627   3.227
   83   3HG2  THR  12          3HG2      THR  12  -7.027  -4.245   4.307
   84    H    ALA  13           H        ALA  13  -6.156  -4.120   1.730
   85    HA   ALA  13           HA       ALA  13  -6.217  -4.449  -1.059
   86   1HB   ALA  13          1HB       ALA  13  -4.582  -5.931   1.052
   87   2HB   ALA  13          2HB       ALA  13  -4.213  -5.892  -0.686
   88   3HB   ALA  13          3HB       ALA  13  -4.136  -4.397   0.270
   89    H    ARG  14           H        ARG  14  -7.420  -6.526   1.434
   90    HA   ARG  14           HA       ARG  14  -7.676  -8.985   0.099
   91   1HB   ARG  14          1HB       ARG  14  -8.150  -8.410   2.515
   92   2HB   ARG  14          2HB       ARG  14  -9.614  -7.603   2.025
   93   1HG   ARG  14          1HG       ARG  14 -10.144  -9.805   2.878
   94   2HG   ARG  14          2HG       ARG  14 -10.562  -9.724   1.163
   95   1HD   ARG  14          1HD       ARG  14  -8.562 -10.983   0.554
   96   2HD   ARG  14          2HD       ARG  14  -7.957 -10.936   2.214
   97    HE   ARG  14           HE       ARG  14  -9.974 -12.683   1.038
   98   1HH1  ARG  14          1HH2      ARG  14  -8.814 -11.344   4.121
   99   2HH1  ARG  14          2HH2      ARG  14  -9.461 -12.656   5.071
  100   1HH2  ARG  14          1HH1      ARG  14 -10.820 -14.384   2.301
  101   2HH2  ARG  14          2HH1      ARG  14 -10.612 -14.386   4.033
  102    H    MET  15           H        MET  15  -9.716  -6.129   0.192
  103    HA   MET  15           HA       MET  15 -11.829  -7.201  -1.514
  104   1HB   MET  15          1HB       MET  15 -11.338  -4.411  -0.382
  105   2HB   MET  15          2HB       MET  15 -12.839  -5.006  -1.070
  106   1HG   MET  15          1HG       MET  15 -11.478  -6.031   1.464
  107   2HG   MET  15          2HG       MET  15 -12.866  -4.980   1.388
  108   1HE   MET  15          1HE       MET  15 -15.258  -5.704   0.581
  109   2HE   MET  15          2HE       MET  15 -14.693  -6.402  -0.958
  110   3HE   MET  15          3HE       MET  15 -15.712  -7.362   0.131
  111    H    CYS  16           H        CYS  16  -9.001  -5.135  -1.844
  112    HA   CYS  16           HA       CYS  16  -9.737  -3.622  -4.054
  113   1HB   CYS  16          1HB       CYS  16  -7.811  -3.303  -2.479
  114   2HB   CYS  16          2HB       CYS  16  -6.931  -4.545  -3.359
  115    H    ARG  17           H        ARG  17  -9.716  -3.875  -6.159
  116    HA   ARG  17           HA       ARG  17  -9.149  -6.471  -7.383
  117   1HB   ARG  17          1HB       ARG  17 -11.219  -5.271  -7.945
  118   2HB   ARG  17          2HB       ARG  17 -10.281  -3.883  -8.502
  119   1HG   ARG  17          1HG       ARG  17 -11.120  -5.134 -10.372
  120   2HG   ARG  17          2HG       ARG  17  -9.360  -5.225 -10.375
  121   1HD   ARG  17          1HD       ARG  17 -11.154  -7.403  -9.210
  122   2HD   ARG  17          2HD       ARG  17 -10.667  -7.363 -10.916
  123    HE   ARG  17           HE       ARG  17  -8.290  -7.134  -9.536
  124   1HH1  ARG  17          1HH2      ARG  17 -10.878  -9.559  -9.685
  125   2HH1  ARG  17          2HH2      ARG  17  -9.833 -10.878  -9.222
  126   1HH2  ARG  17          1HH1      ARG  17  -6.946  -8.846  -8.923
  127   2HH2  ARG  17          2HH1      ARG  17  -7.571 -10.471  -8.798
  128    H    GLN  18           H        GLN  18  -7.952  -3.110  -7.475
  129    HA   GLN  18           HA       GLN  18  -6.280  -3.153  -9.585
  130   1HB   GLN  18          1HB       GLN  18  -7.085  -1.309  -8.345
  131   2HB   GLN  18          2HB       GLN  18  -6.005  -1.677  -6.970
  132   1HG   GLN  18          1HG       GLN  18  -4.125  -1.242  -8.455
  133   2HG   GLN  18          2HG       GLN  18  -5.296  -0.883  -9.781
  134   1HE2  GLN  18          2HE2      GLN  18  -3.381   1.035  -9.127
  135   2HE2  GLN  18          1HE2      GLN  18  -4.161   2.379  -8.321
  136    HA   PRO  19           HA       PRO  19  -2.794  -5.620  -7.982
  137   1HB   PRO  19          1HB       PRO  19  -1.020  -5.243  -9.997
  138   2HB   PRO  19          2HB       PRO  19  -2.555  -6.117 -10.251
  139   1HG   PRO  19          1HG       PRO  19  -1.904  -3.268 -10.969
  140   2HG   PRO  19          2HG       PRO  19  -2.805  -4.475 -11.930
  141   1HD   PRO  19          1HD       PRO  19  -3.906  -2.493 -10.281
  142   2HD   PRO  19          2HD       PRO  19  -4.827  -3.894 -10.772
  143    H    ARG  20           H        ARG  20  -0.343  -5.199  -7.550
  144    HA   ARG  20           HA       ARG  20  -0.190  -3.142  -5.742
  145   1HB   ARG  20          1HB       ARG  20   1.910  -4.852  -7.113
  146   2HB   ARG  20          2HB       ARG  20   2.414  -3.586  -5.981
  147   1HG   ARG  20          1HG       ARG  20   0.888  -4.435  -4.267
  148   2HG   ARG  20          2HG       ARG  20   0.398  -5.705  -5.349
  149   1HD   ARG  20          1HD       ARG  20   3.193  -5.245  -4.204
  150   2HD   ARG  20          2HD       ARG  20   2.067  -6.518  -3.693
  151    HE   ARG  20           HE       ARG  20   2.413  -6.885  -6.435
  152   1HH1  ARG  20          1HH1      ARG  20   4.471  -6.960  -3.544
  153   2HH1  ARG  20          2HH1      ARG  20   5.607  -8.095  -4.227
  154   1HH2  ARG  20          1HH2      ARG  20   3.913  -8.370  -7.322
  155   2HH2  ARG  20          2HH2      ARG  20   5.285  -8.903  -6.386
  156    H    GLN  21           H        GLN  21   1.267  -1.615  -5.448
  157    HA   GLN  21           HA       GLN  21   1.302   0.526  -7.441
  158   1HB   GLN  21          1HB       GLN  21   0.762   0.826  -5.026
  159   2HB   GLN  21          2HB       GLN  21   2.374   0.272  -4.583
  160   1HG   GLN  21          1HG       GLN  21   2.117   2.714  -4.428
  161   2HG   GLN  21          2HG       GLN  21   3.399   2.253  -5.519
  162   1HE2  GLN  21          2HE2      GLN  21   3.396   4.034  -6.922
  163   2HE2  GLN  21          1HE2      GLN  21   2.003   4.530  -7.858
  164    H    GLU  22           H        GLU  22   3.464   1.729  -7.650
  165    HA   GLU  22           HA       GLU  22   5.486   0.250  -8.886
  166   1HB   GLU  22          1HB       GLU  22   5.610   2.928  -7.411
  167   2HB   GLU  22          2HB       GLU  22   6.854   2.313  -8.505
  168   1HG   GLU  22          1HG       GLU  22   3.971   2.909  -9.317
  169   2HG   GLU  22          2HG       GLU  22   5.357   3.964  -9.583
  170    H    GLY  23           H        GLY  23   5.309   1.496  -5.572
  171   1HA   GLY  23          1HA       GLY  23   6.730  -0.834  -4.534
  172   2HA   GLY  23          2HA       GLY  23   7.580   0.696  -4.331
  173    H    CYS  24           H        CYS  24   6.917   2.111  -2.799
  174    HA   CYS  24           HA       CYS  24   5.000   1.172  -0.774
  175   1HB   CYS  24          1HB       CYS  24   7.407   1.840  -0.322
  176   2HB   CYS  24          2HB       CYS  24   6.948   3.493  -0.690
  177    H    TRP  25           H        TRP  25   2.958   1.810  -1.167
  178    HA   TRP  25           HA       TRP  25   2.226   4.193  -2.633
  179   1HB   TRP  25          1HB       TRP  25  -0.054   3.498  -1.964
  180   2HB   TRP  25          2HB       TRP  25   0.813   2.217  -2.712
  181    HD1  TRP  25           HD1      TRP  25   1.101   0.096  -1.491
  182    HE1  TRP  25           HE1      TRP  25   0.361  -0.865   0.856
  183    HE3  TRP  25           HE3      TRP  25  -0.596   4.345   0.523
  184    HZ2  TRP  25           HZ2      TRP  25  -0.722   0.231   3.296
  185    HZ3  TRP  25           HZ3      TRP  25  -1.363   4.455   2.926
  186    HH2  TRP  25           HH2      TRP  25  -1.500   2.370   4.270
  187    H    ASN  26           H        ASN  26   2.889   3.435   0.731
  188    HA   ASN  26           HA       ASN  26   1.248   5.577   1.842
  189   1HB   ASN  26          1HB       ASN  26   1.443   3.831   3.331
  190   2HB   ASN  26          2HB       ASN  26   3.070   3.429   2.826
  191   1HD2  ASN  26          2HD2      ASN  26   4.737   4.000   4.158
  192   2HD2  ASN  26          1HD2      ASN  26   4.610   5.202   5.419
  193    H    CYS  27           H        CYS  27   4.760   4.969   1.553
  194    HA   CYS  27           HA       CYS  27   5.279   7.779   2.262
  195   1HB   CYS  27          1HB       CYS  27   7.086   7.103   3.249
  196   2HB   CYS  27          2HB       CYS  27   6.388   5.523   3.180
  197    H    GLY  28           H        GLY  28   5.191   5.795  -0.617
  198   1HA   GLY  28          1HA       GLY  28   5.055   6.753  -2.728
  199   2HA   GLY  28          2HA       GLY  28   5.858   8.214  -2.177
  200    H    SER  29           H        SER  29   7.447   5.199  -1.366
  201    HA   SER  29           HA       SER  29   9.655   5.745  -3.210
  202   1HB   SER  29          1HB       SER  29  10.087   5.029  -0.899
  203   2HB   SER  29          2HB       SER  29   9.153   3.539  -1.173
  204    HG   SER  29           HG       SER  29  11.581   4.285  -2.409
  205    H    LYS  30           H        LYS  30  10.438   4.027  -4.613
  206    HA   LYS  30           HA       LYS  30   8.382   2.241  -5.800
  207   1HB   LYS  30          1HB       LYS  30  10.914   3.407  -6.980
  208   2HB   LYS  30          2HB       LYS  30   9.676   2.485  -7.805
  209   1HG   LYS  30          1HG       LYS  30   8.020   4.284  -7.427
  210   2HG   LYS  30          2HG       LYS  30   9.217   5.244  -6.558
  211   1HD   LYS  30          1HD       LYS  30   9.276   4.478  -9.496
  212   2HD   LYS  30          2HD       LYS  30   9.026   6.082  -8.801
  213   1HE   LYS  30          1HE       LYS  30  11.598   4.453  -8.881
  214   2HE   LYS  30          2HE       LYS  30  11.268   6.032  -9.595
  215   1HZ   LYS  30          1HZ       LYS  30  11.059   6.891  -7.327
  216   2HZ   LYS  30          2HZ       LYS  30  11.538   5.428  -6.724
  217   3HZ   LYS  30          3HZ       LYS  30  12.559   6.299  -7.665
  218    H    GLU  31           H        GLU  31  11.538   2.592  -4.258
  219    HA   GLU  31           HA       GLU  31  12.936   0.402  -5.167
  220   1HB   GLU  31          1HB       GLU  31  13.095   2.138  -2.638
  221   2HB   GLU  31          2HB       GLU  31  14.329   1.158  -3.376
  222   1HG   GLU  31          1HG       GLU  31  14.969   3.230  -4.121
  223   2HG   GLU  31          2HG       GLU  31  14.017   2.665  -5.495
  224    H    HIS  32           H        HIS  32  10.982   1.070  -2.303
  225    HA   HIS  32           HA       HIS  32  10.798  -1.856  -1.674
  226   1HB   HIS  32          1HB       HIS  32  10.825  -1.392   0.684
  227   2HB   HIS  32          2HB       HIS  32  12.276  -0.749  -0.027
  228    HD1  HIS  32           HD1      HIS  32  12.368   2.006  -0.137
  229    HD2  HIS  32           HD2      HIS  32   9.059   0.399   1.782
  230    HE1  HIS  32           HE1      HIS  32  11.145   3.877   1.029
  231    H    ARG  33           H        ARG  33   8.930  -2.147  -0.064
  232    HA   ARG  33           HA       ARG  33   6.531  -0.713  -1.072
  233   1HB   ARG  33          1HB       ARG  33   6.863  -3.571  -0.103
  234   2HB   ARG  33          2HB       ARG  33   5.398  -2.799  -0.671
  235   1HG   ARG  33          1HG       ARG  33   6.625  -2.249  -2.829
  236   2HG   ARG  33          2HG       ARG  33   7.882  -3.385  -2.334
  237   1HD   ARG  33          1HD       ARG  33   6.362  -5.235  -2.409
  238   2HD   ARG  33          2HD       ARG  33   4.943  -4.187  -2.506
  239    HE   ARG  33           HE       ARG  33   6.690  -5.008  -4.685
  240   1HH1  ARG  33          1HH2      ARG  33   4.488  -2.402  -3.625
  241   2HH1  ARG  33          2HH2      ARG  33   4.122  -1.916  -5.261
  242   1HH2  ARG  33          1HH1      ARG  33   6.224  -4.243  -6.825
  243   2HH2  ARG  33          2HH1      ARG  33   5.117  -2.904  -7.033
  244    H    PHE  34           H        PHE  34   4.665  -0.793   0.344
  245    HA   PHE  34           HA       PHE  34   5.173   0.591   2.768
  246   1HB   PHE  34          1HB       PHE  34   3.127   1.046   1.844
  247   2HB   PHE  34          2HB       PHE  34   2.758  -0.592   1.450
  248    HD1  PHE  34           HD1      PHE  34   3.131   1.733   4.378
  249    HD2  PHE  34           HD2      PHE  34   1.538  -2.020   2.973
  250    HE1  PHE  34           HE1      PHE  34   1.874   1.481   6.487
  251    HE2  PHE  34           HE2      PHE  34   0.366  -2.319   5.135
  252    HZ   PHE  34           HZ       PHE  34   0.483  -0.546   6.874
  253    H    ALA  35           H        ALA  35   4.376  -2.807   2.239
  254    HA   ALA  35           HA       ALA  35   4.275  -3.733   4.866
  255   1HB   ALA  35          1HB       ALA  35   3.774  -5.116   2.891
  256   2HB   ALA  35          2HB       ALA  35   5.494  -5.118   2.442
  257   3HB   ALA  35          3HB       ALA  35   4.963  -5.917   3.938
  258    H    GLN  36           H        GLN  36   7.159  -3.030   2.918
  259    HA   GLN  36           HA       GLN  36   9.077  -3.992   4.868
  260   1HB   GLN  36          1HB       GLN  36   9.389  -2.234   2.398
  261   2HB   GLN  36          2HB       GLN  36  10.688  -2.959   3.310
  262   1HG   GLN  36          1HG       GLN  36   9.895  -5.219   2.712
  263   2HG   GLN  36          2HG       GLN  36   8.490  -4.534   1.883
  264   1HE2  GLN  36          2HE2      GLN  36  12.097  -4.447   1.835
  265   2HE2  GLN  36          1HE2      GLN  36  12.217  -4.193   0.107
  266    H    CYS  37           H        CYS  37   7.647  -0.905   3.908
  267    HA   CYS  37           HA       CYS  37   9.471   0.827   5.137
  268   1HB   CYS  37          1HB       CYS  37   7.627   1.273   3.417
  269   2HB   CYS  37          2HB       CYS  37   6.504   1.373   4.731
  270    HA   PRO  38           HA       PRO  38   8.201   0.419   9.473
  271   1HB   PRO  38          1HB       PRO  38   9.230   2.733  10.519
  272   2HB   PRO  38          2HB       PRO  38  10.232   1.354   9.991
  273   1HG   PRO  38          1HG       PRO  38   9.626   3.846   8.404
  274   2HG   PRO  38          2HG       PRO  38  11.221   3.105   8.722
  275   1HD   PRO  38          1HD       PRO  38   9.867   2.619   6.438
  276   2HD   PRO  38          2HD       PRO  38  10.775   1.304   7.229
  277    H    LYS  39           H        LYS  39   7.602   3.279   7.520
  278    HA   LYS  39           HA       LYS  39   5.288   4.187   9.119
  279   1HB   LYS  39          1HB       LYS  39   6.692   5.185   6.603
  280   2HB   LYS  39          2HB       LYS  39   5.249   5.935   7.239
  281   1HG   LYS  39          1HG       LYS  39   7.962   5.722   8.598
  282   2HG   LYS  39          2HG       LYS  39   7.219   7.173   7.939
  283   1HD   LYS  39          1HD       LYS  39   6.409   5.618  10.431
  284   2HD   LYS  39          2HD       LYS  39   7.066   7.244  10.337
  285   1HE   LYS  39          1HE       LYS  39   4.293   6.365   9.410
  286   2HE   LYS  39          2HE       LYS  39   4.685   7.333  10.835
  287   1HZ   LYS  39          1HZ       LYS  39   5.520   9.033   9.374
  288   2HZ   LYS  39          2HZ       LYS  39   5.141   8.129   8.047
  289   3HZ   LYS  39          3HZ       LYS  39   3.946   8.684   9.034
  Start of MODEL   17
    1   1H    LEU   1          1H        LEU   1  -9.767   0.083   8.853
    2   2H    LEU   1          2H        LEU   1  -8.238   0.183   8.159
    3   3H    LEU   1          3H        LEU   1  -9.220   1.547   8.230
    4    HA   LEU   1           HA       LEU   1  -9.703  -0.902   6.691
    5   1HB   LEU   1          1HB       LEU   1 -11.759   0.206   7.658
    6   2HB   LEU   1          2HB       LEU   1 -11.337   1.665   6.765
    7    HG   LEU   1           HG       LEU   1 -11.471   0.221   4.630
    8   1HD1  LEU   1          1HD1      LEU   1 -12.888  -1.686   6.550
    9   2HD1  LEU   1          2HD1      LEU   1 -12.846  -1.822   4.781
   10   3HD1  LEU   1          3HD1      LEU   1 -11.361  -2.024   5.715
   11   1HD2  LEU   1          1HD2      LEU   1 -13.965   0.604   6.339
   12   2HD2  LEU   1          2HD2      LEU   1 -13.224   1.820   5.278
   13   3HD2  LEU   1          3HD2      LEU   1 -13.948   0.359   4.581
   14    H    THR   2           H        THR   2  -7.425  -0.462   6.033
   15    HA   THR   2           HA       THR   2  -7.207   1.661   3.966
   16    HB   THR   2           HB       THR   2  -5.084   0.637   5.871
   17    HG1  THR   2           HG1      THR   2  -5.330   2.738   6.788
   18   1HG2  THR   2          1HG2      THR   2  -3.804   2.609   5.069
   19   2HG2  THR   2          2HG2      THR   2  -4.091   1.417   3.790
   20   3HG2  THR   2          3HG2      THR   2  -5.062   2.910   3.849
   21    H    CYS   3           H        CYS   3  -6.370   1.067   2.056
   22    HA   CYS   3           HA       CYS   3  -6.209  -1.729   1.454
   23   1HB   CYS   3          1HB       CYS   3  -7.253  -0.065  -0.022
   24   2HB   CYS   3          2HB       CYS   3  -5.692   0.660  -0.329
   25    H    PHE   4           H        PHE   4  -4.410  -2.956   1.410
   26    HA   PHE   4           HA       PHE   4  -1.716  -1.743   1.570
   27   1HB   PHE   4          1HB       PHE   4  -2.658  -4.585   2.085
   28   2HB   PHE   4          2HB       PHE   4  -1.141  -3.842   2.571
   29    HD1  PHE   4           HD1      PHE   4  -1.751  -1.403   3.916
   30    HD2  PHE   4           HD2      PHE   4  -4.064  -5.041   3.910
   31    HE1  PHE   4           HE1      PHE   4  -2.816  -0.727   6.043
   32    HE2  PHE   4           HE2      PHE   4  -5.127  -4.359   6.039
   33    HZ   PHE   4           HZ       PHE   4  -4.504  -2.208   7.115
   34    H    ASN   5           H        ASN   5  -3.014  -1.635  -0.926
   35    HA   ASN   5           HA       ASN   5  -1.332  -3.409  -2.590
   36   1HB   ASN   5          1HB       ASN   5  -3.315  -4.718  -2.326
   37   2HB   ASN   5          2HB       ASN   5  -4.374  -3.352  -2.648
   38   1HD2  ASN   5          2HD2      ASN   5  -4.430  -2.441  -4.850
   39   2HD2  ASN   5          1HD2      ASN   5  -4.119  -3.513  -6.189
   40    H    CYS   6           H        CYS   6  -4.116  -1.125  -3.126
   41    HA   CYS   6           HA       CYS   6  -2.533   0.300  -5.113
   42   1HB   CYS   6          1HB       CYS   6  -4.514   1.204  -5.824
   43   2HB   CYS   6          2HB       CYS   6  -4.895  -0.465  -5.501
   44    H    GLY   7           H        GLY   7  -3.601   0.597  -1.784
   45   1HA   GLY   7          1HA       GLY   7  -2.587   1.937  -0.223
   46   2HA   GLY   7          2HA       GLY   7  -1.962   2.995  -1.495
   47    H    LYS   8           H        LYS   8  -5.438   2.428  -1.744
   48    HA   LYS   8           HA       LYS   8  -5.941   5.171  -0.968
   49   1HB   LYS   8          1HB       LYS   8  -7.269   2.929  -2.513
   50   2HB   LYS   8          2HB       LYS   8  -8.046   4.402  -2.134
   51   1HG   LYS   8          1HG       LYS   8  -5.512   4.082  -3.799
   52   2HG   LYS   8          2HG       LYS   8  -7.118   4.434  -4.426
   53   1HD   LYS   8          1HD       LYS   8  -5.306   6.262  -2.795
   54   2HD   LYS   8          2HD       LYS   8  -5.796   6.443  -4.471
   55   1HE   LYS   8          1HE       LYS   8  -7.628   6.706  -2.039
   56   2HE   LYS   8          2HE       LYS   8  -7.000   8.016  -3.042
   57   1HZ   LYS   8          1HZ       LYS   8  -8.195   7.110  -4.896
   58   2HZ   LYS   8          2HZ       LYS   8  -8.800   5.892  -3.963
   59   3HZ   LYS   8          3HZ       LYS   8  -9.215   7.454  -3.649
   60    HA   PRO   9           HA       PRO   9  -7.743   3.458   2.859
   61   1HB   PRO   9          1HB       PRO   9  -8.763   6.300   2.947
   62   2HB   PRO   9          2HB       PRO   9  -8.101   5.313   4.284
   63   1HG   PRO   9          1HG       PRO   9  -6.545   7.183   3.096
   64   2HG   PRO   9          2HG       PRO   9  -5.870   5.558   3.427
   65   1HD   PRO   9          1HD       PRO   9  -6.969   6.613   0.804
   66   2HD   PRO   9          2HD       PRO   9  -5.459   5.711   1.135
   67    H    GLY  10           H        GLY  10  -9.984   3.258   3.724
   68   1HA   GLY  10          1HA       GLY  10 -12.316   3.540   3.576
   69   2HA   GLY  10          2HA       GLY  10 -12.205   3.985   1.873
   70    H    HIS  11           H        HIS  11 -10.138   1.381   2.067
   71    HA   HIS  11           HA       HIS  11 -11.999  -0.792   2.382
   72   1HB   HIS  11          1HB       HIS  11 -11.890  -1.670   0.146
   73   2HB   HIS  11          2HB       HIS  11 -12.629  -0.093   0.104
   74    HD1  HIS  11           HD1      HIS  11 -11.267   1.807  -1.221
   75    HD2  HIS  11           HD2      HIS  11  -9.391  -1.894  -1.073
   76    HE1  HIS  11           HE1      HIS  11  -9.373   1.817  -2.890
   77    H    THR  12           H        THR  12 -10.740  -2.796   1.490
   78    HA   THR  12           HA       THR  12  -7.919  -2.649   2.513
   79    HB   THR  12           HB       THR  12  -9.898  -4.916   2.940
   80    HG1  THR  12           HG1      THR  12  -9.031  -2.838   4.661
   81   1HG2  THR  12          1HG2      THR  12  -8.248  -5.579   4.706
   82   2HG2  THR  12          2HG2      THR  12  -7.554  -5.690   3.088
   83   3HG2  THR  12          3HG2      THR  12  -7.146  -4.312   4.133
   84    H    ALA  13           H        ALA  13  -6.460  -4.228   1.631
   85    HA   ALA  13           HA       ALA  13  -6.543  -4.485  -1.160
   86   1HB   ALA  13          1HB       ALA  13  -5.047  -6.159   0.913
   87   2HB   ALA  13          2HB       ALA  13  -4.677  -6.127  -0.824
   88   3HB   ALA  13          3HB       ALA  13  -4.463  -4.661   0.154
   89    H    ARG  14           H        ARG  14  -7.922  -6.527   1.274
   90    HA   ARG  14           HA       ARG  14  -8.390  -8.913  -0.158
   91   1HB   ARG  14          1HB       ARG  14  -8.761  -8.414   2.293
   92   2HB   ARG  14          2HB       ARG  14 -10.167  -7.471   1.878
   93   1HG   ARG  14          1HG       ARG  14 -10.845  -9.668   2.646
   94   2HG   ARG  14          2HG       ARG  14 -11.306  -9.461   0.951
   95   1HD   ARG  14          1HD       ARG  14  -9.425 -10.848   0.224
   96   2HD   ARG  14          2HD       ARG  14  -8.802 -10.927   1.892
   97    HE   ARG  14           HE       ARG  14 -11.461 -11.885   1.893
   98   1HH1  ARG  14          1HH1      ARG  14  -8.296 -12.828   0.590
   99   2HH1  ARG  14          2HH1      ARG  14  -8.656 -14.536   0.607
  100   1HH2  ARG  14          1HH2      ARG  14 -11.921 -14.130   1.911
  101   2HH2  ARG  14          2HH2      ARG  14 -10.728 -15.278   1.362
  102    H    MET  15           H        MET  15 -10.158  -5.898   0.108
  103    HA   MET  15           HA       MET  15 -12.423  -6.691  -1.562
  104   1HB   MET  15          1HB       MET  15 -11.603  -4.036  -0.298
  105   2HB   MET  15          2HB       MET  15 -13.165  -4.387  -1.013
  106   1HG   MET  15          1HG       MET  15 -11.983  -5.821   1.413
  107   2HG   MET  15          2HG       MET  15 -13.127  -4.500   1.463
  108   1HE   MET  15          1HE       MET  15 -14.615  -5.969   3.090
  109   2HE   MET  15          2HE       MET  15 -15.191  -7.604   2.695
  110   3HE   MET  15          3HE       MET  15 -13.456  -7.314   2.954
  111    H    CYS  16           H        CYS  16  -9.429  -4.876  -1.883
  112    HA   CYS  16           HA       CYS  16 -10.063  -3.196  -3.996
  113   1HB   CYS  16          1HB       CYS  16  -8.076  -3.152  -2.473
  114   2HB   CYS  16          2HB       CYS  16  -7.346  -4.426  -3.443
  115    H    ARG  17           H        ARG  17 -10.381  -3.443  -6.073
  116    HA   ARG  17           HA       ARG  17 -10.033  -5.986  -7.444
  117   1HB   ARG  17          1HB       ARG  17 -12.022  -4.649  -7.862
  118   2HB   ARG  17          2HB       ARG  17 -11.043  -3.247  -8.305
  119   1HG   ARG  17          1HG       ARG  17 -11.984  -4.305 -10.284
  120   2HG   ARG  17          2HG       ARG  17 -10.226  -4.377 -10.316
  121   1HD   ARG  17          1HD       ARG  17 -10.402  -6.796  -9.471
  122   2HD   ARG  17          2HD       ARG  17 -12.154  -6.627  -9.581
  123    HE   ARG  17           HE       ARG  17 -12.038  -6.870 -11.853
  124   1HH1  ARG  17          1HH2      ARG  17  -8.748  -6.166 -10.665
  125   2HH1  ARG  17          2HH2      ARG  17  -8.000  -6.519 -12.200
  126   1HH2  ARG  17          1HH1      ARG  17 -11.024  -7.313 -13.849
  127   2HH2  ARG  17          2HH1      ARG  17  -9.293  -7.163 -14.014
  128    H    GLN  18           H        GLN  18  -8.493  -2.800  -7.363
  129    HA   GLN  18           HA       GLN  18  -7.005  -2.981  -9.730
  130   1HB   GLN  18          1HB       GLN  18  -6.447  -1.426  -7.174
  131   2HB   GLN  18          2HB       GLN  18  -5.658  -1.122  -8.694
  132   1HG   GLN  18          1HG       GLN  18  -8.624  -0.834  -8.174
  133   2HG   GLN  18          2HG       GLN  18  -7.423   0.457  -8.378
  134   1HE2  GLN  18          2HE2      GLN  18  -9.569  -1.740 -10.028
  135   2HE2  GLN  18          1HE2      GLN  18  -9.137  -1.264 -11.657
  136    HA   PRO  19           HA       PRO  19  -3.516  -5.480  -8.543
  137   1HB   PRO  19          1HB       PRO  19  -1.670  -4.758 -10.388
  138   2HB   PRO  19          2HB       PRO  19  -3.203  -5.545 -10.863
  139   1HG   PRO  19          1HG       PRO  19  -2.554  -2.590 -10.902
  140   2HG   PRO  19          2HG       PRO  19  -3.308  -3.562 -12.199
  141   1HD   PRO  19          1HD       PRO  19  -4.733  -2.047 -10.385
  142   2HD   PRO  19          2HD       PRO  19  -5.416  -3.509 -11.087
  143    H    ARG  20           H        ARG  20  -1.438  -5.342  -7.451
  144    HA   ARG  20           HA       ARG  20  -1.150  -3.389  -5.657
  145   1HB   ARG  20          1HB       ARG  20  -0.041  -5.888  -6.219
  146   2HB   ARG  20          2HB       ARG  20   1.328  -4.829  -6.540
  147   1HG   ARG  20          1HG       ARG  20   0.527  -3.753  -4.224
  148   2HG   ARG  20          2HG       ARG  20  -0.290  -5.318  -4.057
  149   1HD   ARG  20          1HD       ARG  20   1.939  -5.392  -2.970
  150   2HD   ARG  20          2HD       ARG  20   1.910  -6.450  -4.396
  151    HE   ARG  20           HE       ARG  20   2.848  -3.646  -4.733
  152   1HH1  ARG  20          1HH2      ARG  20   3.856  -7.051  -4.456
  153   2HH1  ARG  20          2HH2      ARG  20   5.343  -6.790  -5.325
  154   1HH2  ARG  20          1HH1      ARG  20   4.785  -3.321  -5.790
  155   2HH2  ARG  20          2HH1      ARG  20   5.878  -4.644  -6.104
  156    H    GLN  21           H        GLN  21   0.197  -1.676  -5.299
  157    HA   GLN  21           HA       GLN  21   1.189  -0.163  -7.525
  158   1HB   GLN  21          1HB       GLN  21   0.168   0.836  -5.507
  159   2HB   GLN  21          2HB       GLN  21   1.459   0.176  -4.496
  160   1HG   GLN  21          1HG       GLN  21   1.772   2.593  -5.008
  161   2HG   GLN  21          2HG       GLN  21   3.117   1.604  -5.567
  162   1HE2  GLN  21          2HE2      GLN  21  -0.015   3.028  -6.682
  163   2HE2  GLN  21          1HE2      GLN  21   0.529   3.360  -8.313
  164    H    GLU  22           H        GLU  22   3.432   0.418  -7.814
  165    HA   GLU  22           HA       GLU  22   5.186  -1.670  -8.059
  166   1HB   GLU  22          1HB       GLU  22   5.331   1.383  -8.058
  167   2HB   GLU  22          2HB       GLU  22   6.653   0.327  -8.470
  168   1HG   GLU  22          1HG       GLU  22   5.360  -0.669 -10.322
  169   2HG   GLU  22          2HG       GLU  22   4.000   0.399  -9.931
  170    H    GLY  23           H        GLY  23   5.372   1.137  -5.881
  171   1HA   GLY  23          1HA       GLY  23   7.202  -0.370  -4.035
  172   2HA   GLY  23          2HA       GLY  23   7.447   1.300  -4.538
  173    H    CYS  24           H        CYS  24   7.355   2.222  -2.592
  174    HA   CYS  24           HA       CYS  24   5.490   1.609  -0.503
  175   1HB   CYS  24          1HB       CYS  24   7.964   2.432  -0.492
  176   2HB   CYS  24          2HB       CYS  24   7.288   4.045  -0.606
  177    H    TRP  25           H        TRP  25   3.461   1.994  -1.207
  178    HA   TRP  25           HA       TRP  25   2.607   4.245  -2.770
  179   1HB   TRP  25          1HB       TRP  25   0.349   3.360  -2.232
  180   2HB   TRP  25          2HB       TRP  25   1.423   2.130  -2.779
  181    HD1  TRP  25           HD1      TRP  25   1.690   0.107  -1.362
  182    HE1  TRP  25           HE1      TRP  25   0.734  -0.731   0.936
  183    HE3  TRP  25           HE3      TRP  25  -0.490   4.365   0.106
  184    HZ2  TRP  25           HZ2      TRP  25  -0.696   0.430   3.140
  185    HZ3  TRP  25           HZ3      TRP  25  -1.673   4.546   2.327
  186    HH2  TRP  25           HH2      TRP  25  -1.728   2.579   3.852
  187    H    ASN  26           H        ASN  26   2.966   3.668   0.661
  188    HA   ASN  26           HA       ASN  26   1.289   5.665   1.722
  189   1HB   ASN  26          1HB       ASN  26   2.070   4.398   3.690
  190   2HB   ASN  26          2HB       ASN  26   1.725   3.288   2.445
  191   1HD2  ASN  26          2HD2      ASN  26   3.881   3.980   4.869
  192   2HD2  ASN  26          1HD2      ASN  26   5.297   3.210   4.187
  193    H    CYS  27           H        CYS  27   4.853   5.081   1.537
  194    HA   CYS  27           HA       CYS  27   5.402   7.793   2.591
  195   1HB   CYS  27          1HB       CYS  27   7.081   6.825   3.617
  196   2HB   CYS  27          2HB       CYS  27   6.594   5.307   2.958
  197    H    GLY  28           H        GLY  28   5.323   6.109  -0.471
  198   1HA   GLY  28          1HA       GLY  28   5.227   7.196  -2.506
  199   2HA   GLY  28          2HA       GLY  28   5.937   8.652  -1.820
  200    H    SER  29           H        SER  29   7.823   5.890  -1.006
  201    HA   SER  29           HA       SER  29   9.930   6.595  -2.924
  202   1HB   SER  29          1HB       SER  29  10.582   6.097  -0.637
  203   2HB   SER  29          2HB       SER  29   9.724   4.536  -0.715
  204    HG   SER  29           HG       SER  29  12.152   5.281  -1.884
  205    H    LYS  30           H        LYS  30  10.570   5.262  -4.578
  206    HA   LYS  30           HA       LYS  30   8.743   3.120  -5.433
  207   1HB   LYS  30          1HB       LYS  30  10.140   5.274  -6.693
  208   2HB   LYS  30          2HB       LYS  30  10.898   3.817  -7.272
  209   1HG   LYS  30          1HG       LYS  30   7.916   4.480  -7.236
  210   2HG   LYS  30          2HG       LYS  30   8.956   4.665  -8.648
  211   1HD   LYS  30          1HD       LYS  30   8.376   1.981  -7.287
  212   2HD   LYS  30          2HD       LYS  30   7.462   2.622  -8.647
  213   1HE   LYS  30          1HE       LYS  30  10.473   2.163  -8.788
  214   2HE   LYS  30          2HE       LYS  30   9.277   0.924  -9.186
  215   1HZ   LYS  30          1HZ       LYS  30   9.404   3.538 -10.502
  216   2HZ   LYS  30          2HZ       LYS  30   9.995   2.123 -11.111
  217   3HZ   LYS  30          3HZ       LYS  30   8.379   2.286 -10.848
  218    H    GLU  31           H        GLU  31  11.769   3.436  -3.739
  219    HA   GLU  31           HA       GLU  31  13.346   1.465  -4.853
  220   1HB   GLU  31          1HB       GLU  31  13.143   2.780  -2.095
  221   2HB   GLU  31          2HB       GLU  31  14.538   2.016  -2.811
  222   1HG   GLU  31          1HG       GLU  31  14.725   3.739  -4.500
  223   2HG   GLU  31          2HG       GLU  31  13.260   4.539  -3.969
  224    H    HIS  32           H        HIS  32  11.255   1.659  -2.013
  225    HA   HIS  32           HA       HIS  32  11.091  -1.326  -1.735
  226   1HB   HIS  32          1HB       HIS  32  10.986  -0.962   0.726
  227   2HB   HIS  32          2HB       HIS  32  12.477  -0.562   0.037
  228    HD1  HIS  32           HD1      HIS  32  12.931   2.268  -0.027
  229    HD2  HIS  32           HD2      HIS  32   9.417   0.998   1.784
  230    HE1  HIS  32           HE1      HIS  32  11.840   4.262   1.082
  231    H    ARG  33           H        ARG  33   9.337  -1.537   0.073
  232    HA   ARG  33           HA       ARG  33   6.806  -0.331  -0.945
  233   1HB   ARG  33          1HB       ARG  33   7.046  -3.020   0.325
  234   2HB   ARG  33          2HB       ARG  33   5.817  -2.363  -0.708
  235   1HG   ARG  33          1HG       ARG  33   7.263  -2.331  -2.664
  236   2HG   ARG  33          2HG       ARG  33   8.606  -2.997  -1.739
  237   1HD   ARG  33          1HD       ARG  33   7.303  -5.056  -1.280
  238   2HD   ARG  33          2HD       ARG  33   5.951  -4.392  -2.207
  239    HE   ARG  33           HE       ARG  33   6.990  -4.913  -4.164
  240   1HH1  ARG  33          1HH1      ARG  33   9.496  -4.987  -1.621
  241   2HH1  ARG  33          2HH1      ARG  33  10.686  -5.706  -2.671
  242   1HH2  ARG  33          1HH2      ARG  33   8.603  -5.797  -5.518
  243   2HH2  ARG  33          2HH2      ARG  33  10.190  -6.138  -4.883
  244    H    PHE  34           H        PHE  34   4.951  -0.674   0.556
  245    HA   PHE  34           HA       PHE  34   5.428   0.950   2.820
  246   1HB   PHE  34          1HB       PHE  34   3.188   1.185   2.211
  247   2HB   PHE  34          2HB       PHE  34   3.064  -0.268   1.503
  248    HD1  PHE  34           HD1      PHE  34   2.590   1.589   4.616
  249    HD2  PHE  34           HD2      PHE  34   2.205  -2.268   2.723
  250    HE1  PHE  34           HE1      PHE  34   0.960   0.900   6.345
  251    HE2  PHE  34           HE2      PHE  34   0.615  -2.968   4.491
  252    HZ   PHE  34           HZ       PHE  34  -0.035  -1.374   6.285
  253    H    ALA  35           H        ALA  35   4.890  -2.494   2.550
  254    HA   ALA  35           HA       ALA  35   4.833  -3.219   5.269
  255   1HB   ALA  35          1HB       ALA  35   4.287  -4.763   3.436
  256   2HB   ALA  35          2HB       ALA  35   5.986  -4.770   2.913
  257   3HB   ALA  35          3HB       ALA  35   5.536  -5.456   4.490
  258    H    GLN  36           H        GLN  36   7.620  -2.825   3.108
  259    HA   GLN  36           HA       GLN  36   9.664  -3.555   4.964
  260   1HB   GLN  36          1HB       GLN  36   9.651  -1.886   2.418
  261   2HB   GLN  36          2HB       GLN  36  11.113  -2.343   3.277
  262   1HG   GLN  36          1HG       GLN  36  10.560  -4.743   2.949
  263   2HG   GLN  36          2HG       GLN  36   9.056  -4.295   2.133
  264   1HE2  GLN  36          2HE2      GLN  36  12.610  -3.631   1.923
  265   2HE2  GLN  36          1HE2      GLN  36  12.657  -3.615   0.174
  266    H    CYS  37           H        CYS  37   8.187  -0.474   4.043
  267    HA   CYS  37           HA       CYS  37  10.052   1.235   5.236
  268   1HB   CYS  37          1HB       CYS  37   8.172   1.664   3.584
  269   2HB   CYS  37          2HB       CYS  37   7.082   1.841   4.935
  270    HA   PRO  38           HA       PRO  38   8.871   0.859   9.600
  271   1HB   PRO  38          1HB       PRO  38   9.891   3.201  10.604
  272   2HB   PRO  38          2HB       PRO  38  10.897   1.816  10.099
  273   1HG   PRO  38          1HG       PRO  38  10.276   4.283   8.480
  274   2HG   PRO  38          2HG       PRO  38  11.872   3.538   8.784
  275   1HD   PRO  38          1HD       PRO  38  10.485   3.036   6.524
  276   2HD   PRO  38          2HD       PRO  38  11.398   1.723   7.308
  277    H    LYS  39           H        LYS  39   8.250   3.724   7.655
  278    HA   LYS  39           HA       LYS  39   6.863   5.452   7.773
  279   1HB   LYS  39          1HB       LYS  39   4.793   4.709   6.873
  280   2HB   LYS  39          2HB       LYS  39   6.149   3.874   6.213
  281   1HG   LYS  39          1HG       LYS  39   4.600   2.212   6.362
  282   2HG   LYS  39          2HG       LYS  39   5.616   1.870   7.726
  283   1HD   LYS  39          1HD       LYS  39   3.080   3.511   8.099
  284   2HD   LYS  39          2HD       LYS  39   2.938   1.798   7.739
  285   1HE   LYS  39          1HE       LYS  39   4.252   2.951  10.225
  286   2HE   LYS  39          2HE       LYS  39   2.733   2.072  10.090
  287   1HZ   LYS  39          1HZ       LYS  39   4.059   0.182   9.286
  288   2HZ   LYS  39          2HZ       LYS  39   5.430   1.047   9.629
  289   3HZ   LYS  39          3HZ       LYS  39   4.398   0.636  10.838
  Start of MODEL   18
    1   1H    LEU   1          1H        LEU   1  -8.491   1.624   9.803
    2   2H    LEU   1          2H        LEU   1  -7.033   1.854   8.997
    3   3H    LEU   1          3H        LEU   1  -8.256   3.001   8.866
    4    HA   LEU   1           HA       LEU   1  -8.332   0.235   7.894
    5   1HB   LEU   1          1HB       LEU   1 -10.534   0.976   8.643
    6   2HB   LEU   1          2HB       LEU   1 -10.386   2.471   7.716
    7    HG   LEU   1           HG       LEU   1 -10.387   1.157   5.593
    8   1HD1  LEU   1          1HD2      LEU   1 -10.842  -1.220   7.454
    9   2HD1  LEU   1          2HD2      LEU   1 -11.086  -1.242   5.696
   10   3HD1  LEU   1          3HD2      LEU   1  -9.465  -0.980   6.353
   11   1HD2  LEU   1          1HD1      LEU   1 -12.480   2.064   6.515
   12   2HD2  LEU   1          2HD1      LEU   1 -12.757   0.531   5.669
   13   3HD2  LEU   1          3HD1      LEU   1 -12.728   0.570   7.445
   14    H    THR   2           H        THR   2  -6.708   0.205   6.349
   15    HA   THR   2           HA       THR   2  -7.169   1.846   4.038
   16    HB   THR   2           HB       THR   2  -5.722   3.380   5.321
   17    HG1  THR   2           HG1      THR   2  -5.503   3.329   3.087
   18   1HG2  THR   2          1HG2      THR   2  -3.608   1.180   5.211
   19   2HG2  THR   2          2HG2      THR   2  -3.408   2.827   5.837
   20   3HG2  THR   2          3HG2      THR   2  -4.474   1.690   6.678
   21    H    CYS   3           H        CYS   3  -6.527   1.013   2.193
   22    HA   CYS   3           HA       CYS   3  -6.110  -1.775   2.109
   23   1HB   CYS   3          1HB       CYS   3  -7.319  -0.533   0.380
   24   2HB   CYS   3          2HB       CYS   3  -5.876   0.293  -0.102
   25    H    PHE   4           H        PHE   4  -4.219  -2.851   2.483
   26    HA   PHE   4           HA       PHE   4  -1.695  -1.531   2.518
   27   1HB   PHE   4          1HB       PHE   4  -2.268  -4.497   2.600
   28   2HB   PHE   4          2HB       PHE   4  -0.861  -3.658   3.238
   29    HD1  PHE   4           HD1      PHE   4  -1.809  -1.457   4.828
   30    HD2  PHE   4           HD2      PHE   4  -3.629  -5.339   4.337
   31    HE1  PHE   4           HE1      PHE   4  -3.014  -1.145   6.942
   32    HE2  PHE   4           HE2      PHE   4  -4.824  -5.026   6.482
   33    HZ   PHE   4           HZ       PHE   4  -4.536  -2.933   7.786
   34    H    ASN   5           H        ASN   5  -3.398  -2.825  -0.137
   35    HA   ASN   5           HA       ASN   5  -1.059  -3.719  -1.669
   36   1HB   ASN   5          1HB       ASN   5  -3.072  -4.998  -1.842
   37   2HB   ASN   5          2HB       ASN   5  -4.065  -3.596  -2.130
   38   1HD2  ASN   5          2HD2      ASN   5  -4.563  -3.074  -4.173
   39   2HD2  ASN   5          1HD2      ASN   5  -3.793  -3.702  -5.603
   40    H    CYS   6           H        CYS   6  -3.788  -1.509  -2.292
   41    HA   CYS   6           HA       CYS   6  -2.170   0.033  -4.170
   42   1HB   CYS   6          1HB       CYS   6  -4.123   0.790  -5.049
   43   2HB   CYS   6          2HB       CYS   6  -4.416  -0.902  -4.751
   44    H    GLY   7           H        GLY   7  -3.061   0.340  -0.838
   45   1HA   GLY   7          1HA       GLY   7  -2.357   1.964   0.628
   46   2HA   GLY   7          2HA       GLY   7  -1.720   2.886  -0.729
   47    H    LYS   8           H        LYS   8  -5.171   2.041  -0.923
   48    HA   LYS   8           HA       LYS   8  -5.764   4.862  -0.601
   49   1HB   LYS   8          1HB       LYS   8  -6.982   2.402  -1.880
   50   2HB   LYS   8          2HB       LYS   8  -7.720   3.949  -1.865
   51   1HG   LYS   8          1HG       LYS   8  -5.040   3.247  -3.134
   52   2HG   LYS   8          2HG       LYS   8  -6.544   3.483  -4.020
   53   1HD   LYS   8          1HD       LYS   8  -6.559   5.842  -3.538
   54   2HD   LYS   8          2HD       LYS   8  -5.164   5.722  -2.455
   55   1HE   LYS   8          1HE       LYS   8  -5.040   4.969  -5.396
   56   2HE   LYS   8          2HE       LYS   8  -4.615   6.562  -4.749
   57   1HZ   LYS   8          1HZ       LYS   8  -2.942   5.538  -3.406
   58   2HZ   LYS   8          2HZ       LYS   8  -3.294   4.042  -3.990
   59   3HZ   LYS   8          3HZ       LYS   8  -2.693   5.196  -4.994
   60    HA   PRO   9           HA       PRO   9  -7.742   3.649   3.174
   61   1HB   PRO   9          1HB       PRO   9  -9.065   5.941   3.863
   62   2HB   PRO   9          2HB       PRO   9  -7.283   5.837   3.837
   63   1HG   PRO   9          1HG       PRO   9  -9.099   6.863   1.631
   64   2HG   PRO   9          2HG       PRO   9  -7.688   7.695   2.351
   65   1HD   PRO   9          1HD       PRO   9  -7.487   6.251   0.049
   66   2HD   PRO   9          2HD       PRO   9  -6.169   6.234   1.264
   67    H    GLY  10           H        GLY  10  -9.975   3.612   4.178
   68   1HA   GLY  10          1HA       GLY  10 -12.281   3.451   4.101
   69   2HA   GLY  10          2HA       GLY  10 -12.285   3.811   2.371
   70    H    HIS  11           H        HIS  11  -9.937   1.407   2.902
   71    HA   HIS  11           HA       HIS  11 -11.669  -0.850   3.247
   72   1HB   HIS  11          1HB       HIS  11 -11.320  -1.919   1.117
   73   2HB   HIS  11          2HB       HIS  11 -12.242  -0.548   0.933
   74    HD1  HIS  11           HD1      HIS  11 -10.561   1.661  -0.103
   75    HD2  HIS  11           HD2      HIS  11  -9.612  -2.320  -0.722
   76    HE1  HIS  11           HE1      HIS  11  -9.061   1.525  -2.128
   77    H    THR  12           H        THR  12 -10.322  -2.764   2.324
   78    HA   THR  12           HA       THR  12  -7.566  -2.688   3.505
   79    HB   THR  12           HB       THR  12  -9.559  -4.975   3.820
   80    HG1  THR  12           HG1      THR  12  -8.890  -2.911   5.638
   81   1HG2  THR  12          1HG2      THR  12  -8.038  -5.620   5.695
   82   2HG2  THR  12          2HG2      THR  12  -7.199  -5.671   4.143
   83   3HG2  THR  12          3HG2      THR  12  -6.942  -4.300   5.244
   84    H    ALA  13           H        ALA  13  -6.140  -4.402   2.639
   85    HA   ALA  13           HA       ALA  13  -6.336  -4.613  -0.207
   86   1HB   ALA  13          1HB       ALA  13  -4.634  -6.161   1.813
   87   2HB   ALA  13          2HB       ALA  13  -4.340  -6.105   0.061
   88   3HB   ALA  13          3HB       ALA  13  -4.175  -4.628   1.037
   89    H    ARG  14           H        ARG  14  -7.523  -6.571   2.339
   90    HA   ARG  14           HA       ARG  14  -7.878  -9.096   1.284
   91   1HB   ARG  14          1HB       ARG  14  -8.507  -8.182   3.541
   92   2HB   ARG  14          2HB       ARG  14  -9.883  -7.378   2.824
   93   1HG   ARG  14          1HG       ARG  14 -10.832  -9.579   2.132
   94   2HG   ARG  14          2HG       ARG  14  -9.409 -10.399   2.805
   95   1HD   ARG  14          1HD       ARG  14  -9.998  -9.509   5.071
   96   2HD   ARG  14          2HD       ARG  14 -11.382  -8.670   4.365
   97    HE   ARG  14           HE       ARG  14 -12.590 -10.595   4.316
   98   1HH1  ARG  14          1HH1      ARG  14  -9.187 -11.486   4.819
   99   2HH1  ARG  14          2HH1      ARG  14  -9.547 -13.160   5.149
  100   1HH2  ARG  14          1HH2      ARG  14 -13.041 -12.791   4.741
  101   2HH2  ARG  14          2HH2      ARG  14 -11.748 -13.905   5.099
  102    H    MET  15           H        MET  15  -9.891  -6.237   0.843
  103    HA   MET  15           HA       MET  15 -11.796  -7.589  -0.922
  104   1HB   MET  15          1HB       MET  15 -13.056  -5.641  -0.642
  105   2HB   MET  15          2HB       MET  15 -12.110  -5.737   0.859
  106   1HG   MET  15          1HG       MET  15 -12.219  -3.601   0.340
  107   2HG   MET  15          2HG       MET  15 -10.661  -4.047  -0.338
  108   1HE   MET  15          1HE       MET  15 -14.212  -2.647  -0.883
  109   2HE   MET  15          2HE       MET  15 -14.446  -2.699  -2.643
  110   3HE   MET  15          3HE       MET  15 -14.475  -4.204  -1.706
  111    H    CYS  16           H        CYS  16  -9.092  -5.444  -1.131
  112    HA   CYS  16           HA       CYS  16  -9.589  -4.313  -3.654
  113   1HB   CYS  16          1HB       CYS  16  -8.070  -3.527  -1.845
  114   2HB   CYS  16          2HB       CYS  16  -6.837  -4.627  -2.465
  115    H    ARG  17           H        ARG  17  -9.764  -5.348  -5.522
  116    HA   ARG  17           HA       ARG  17  -8.128  -7.678  -6.264
  117   1HB   ARG  17          1HB       ARG  17 -10.536  -7.529  -6.726
  118   2HB   ARG  17          2HB       ARG  17 -10.279  -6.120  -7.765
  119   1HG   ARG  17          1HG       ARG  17  -8.932  -7.426  -9.318
  120   2HG   ARG  17          2HG       ARG  17  -8.972  -8.838  -8.248
  121   1HD   ARG  17          1HD       ARG  17 -11.404  -7.586  -9.615
  122   2HD   ARG  17          2HD       ARG  17 -10.506  -8.978 -10.203
  123    HE   ARG  17           HE       ARG  17 -11.256 -10.343  -8.486
  124   1HH1  ARG  17          1HH2      ARG  17 -12.702  -7.100  -8.157
  125   2HH1  ARG  17          2HH2      ARG  17 -13.984  -7.661  -7.117
  126   1HH2  ARG  17          1HH1      ARG  17 -12.927 -11.030  -7.115
  127   2HH2  ARG  17          2HH1      ARG  17 -14.103  -9.891  -6.512
  128    H    GLN  18           H        GLN  18  -8.216  -4.227  -6.640
  129    HA   GLN  18           HA       GLN  18  -7.099  -3.631  -9.035
  130   1HB   GLN  18          1HB       GLN  18  -6.275  -2.225  -6.557
  131   2HB   GLN  18          2HB       GLN  18  -6.416  -1.557  -8.144
  132   1HG   GLN  18          1HG       GLN  18  -8.813  -1.794  -8.185
  133   2HG   GLN  18          2HG       GLN  18  -8.812  -2.465  -6.542
  134   1HE2  GLN  18          2HE2      GLN  18  -8.000   0.474  -8.425
  135   2HE2  GLN  18          1HE2      GLN  18  -8.152   1.581  -7.078
  136    HA   PRO  19           HA       PRO  19  -2.737  -4.734  -9.005
  137   1HB   PRO  19          1HB       PRO  19  -2.322  -1.905  -9.990
  138   2HB   PRO  19          2HB       PRO  19  -1.684  -3.423 -10.682
  139   1HG   PRO  19          1HG       PRO  19  -3.803  -2.156 -11.832
  140   2HG   PRO  19          2HG       PRO  19  -3.807  -3.937 -11.652
  141   1HD   PRO  19          1HD       PRO  19  -5.267  -1.920  -9.911
  142   2HD   PRO  19          2HD       PRO  19  -5.795  -3.465 -10.512
  143    H    ARG  20           H        ARG  20  -0.694  -4.122  -7.964
  144    HA   ARG  20           HA       ARG  20  -0.989  -2.633  -5.456
  145   1HB   ARG  20          1HB       ARG  20   1.286  -3.364  -5.013
  146   2HB   ARG  20          2HB       ARG  20   0.343  -4.722  -5.616
  147   1HG   ARG  20          1HG       ARG  20   1.275  -4.473  -7.814
  148   2HG   ARG  20          2HG       ARG  20   2.180  -3.039  -7.405
  149   1HD   ARG  20          1HD       ARG  20   2.640  -5.606  -5.855
  150   2HD   ARG  20          2HD       ARG  20   3.380  -5.349  -7.447
  151    HE   ARG  20           HE       ARG  20   3.897  -3.032  -5.965
  152   1HH1  ARG  20          1HH2      ARG  20   4.782  -6.464  -5.838
  153   2HH1  ARG  20          2HH2      ARG  20   6.418  -6.152  -5.318
  154   1HH2  ARG  20          1HH1      ARG  20   6.081  -2.631  -5.410
  155   2HH2  ARG  20          2HH1      ARG  20   7.138  -3.959  -5.009
  156    H    GLN  21           H        GLN  21   1.199  -1.413  -5.050
  157    HA   GLN  21           HA       GLN  21   1.295   0.966  -6.828
  158   1HB   GLN  21          1HB       GLN  21   0.819   0.951  -4.234
  159   2HB   GLN  21          2HB       GLN  21   2.546   0.650  -4.076
  160   1HG   GLN  21          1HG       GLN  21   2.296   2.951  -3.814
  161   2HG   GLN  21          2HG       GLN  21   2.884   2.802  -5.459
  162   1HE2  GLN  21          2HE2      GLN  21   1.479   3.445  -7.196
  163   2HE2  GLN  21          1HE2      GLN  21  -0.083   4.185  -6.914
  164    H    GLU  22           H        GLU  22   3.634   1.837  -7.069
  165    HA   GLU  22           HA       GLU  22   5.436   0.182  -8.224
  166   1HB   GLU  22          1HB       GLU  22   5.630   2.779  -6.589
  167   2HB   GLU  22          2HB       GLU  22   6.874   2.079  -7.579
  168   1HG   GLU  22          1HG       GLU  22   6.015   3.468  -9.161
  169   2HG   GLU  22          2HG       GLU  22   4.923   2.120  -9.457
  170    H    GLY  23           H        GLY  23   5.488   1.471  -4.928
  171   1HA   GLY  23          1HA       GLY  23   6.429  -1.082  -3.809
  172   2HA   GLY  23          2HA       GLY  23   7.562   0.271  -3.693
  173    H    CYS  24           H        CYS  24   7.139   1.902  -2.205
  174    HA   CYS  24           HA       CYS  24   5.227   1.218  -0.089
  175   1HB   CYS  24          1HB       CYS  24   7.702   1.751   0.254
  176   2HB   CYS  24          2HB       CYS  24   7.308   3.412  -0.097
  177    H    TRP  25           H        TRP  25   3.230   2.017  -0.346
  178    HA   TRP  25           HA       TRP  25   2.658   4.576  -1.645
  179   1HB   TRP  25          1HB       TRP  25   0.342   3.970  -0.962
  180   2HB   TRP  25          2HB       TRP  25   1.103   2.773  -1.942
  181    HD1  TRP  25           HD1      TRP  25   1.219   0.456  -1.062
  182    HE1  TRP  25           HE1      TRP  25   0.322  -0.791   1.078
  183    HE3  TRP  25           HE3      TRP  25  -0.050   4.480   1.614
  184    HZ2  TRP  25           HZ2      TRP  25  -0.684   0.012   3.671
  185    HZ3  TRP  25           HZ3      TRP  25  -0.767   4.291   4.004
  186    HH2  TRP  25           HH2      TRP  25  -1.202   2.023   4.994
  187    H    ASN  26           H        ASN  26   3.391   3.426   1.583
  188    HA   ASN  26           HA       ASN  26   1.868   5.397   3.047
  189   1HB   ASN  26          1HB       ASN  26   2.089   3.546   4.269
  190   2HB   ASN  26          2HB       ASN  26   3.601   3.059   3.557
  191   1HD2  ASN  26          2HD2      ASN  26   5.453   3.219   4.782
  192   2HD2  ASN  26          1HD2      ASN  26   5.409   3.855   6.390
  193    H    CYS  27           H        CYS  27   5.341   4.970   2.343
  194    HA   CYS  27           HA       CYS  27   5.838   7.760   3.184
  195   1HB   CYS  27          1HB       CYS  27   7.909   7.249   3.632
  196   2HB   CYS  27          2HB       CYS  27   7.153   5.756   4.100
  197    H    GLY  28           H        GLY  28   5.644   5.783   0.287
  198   1HA   GLY  28          1HA       GLY  28   5.264   6.781  -1.798
  199   2HA   GLY  28          2HA       GLY  28   6.129   8.231  -1.312
  200    H    SER  29           H        SER  29   7.765   5.223  -0.548
  201    HA   SER  29           HA       SER  29   9.796   5.768  -2.609
  202   1HB   SER  29          1HB       SER  29  10.503   5.229  -0.322
  203   2HB   SER  29          2HB       SER  29   9.704   3.642  -0.454
  204    HG   SER  29           HG       SER  29  12.102   3.928  -1.037
  205    H    LYS  30           H        LYS  30  10.633   3.759  -3.719
  206    HA   LYS  30           HA       LYS  30   8.470   2.056  -4.845
  207   1HB   LYS  30          1HB       LYS  30  10.862   3.438  -6.142
  208   2HB   LYS  30          2HB       LYS  30   9.760   2.295  -6.896
  209   1HG   LYS  30          1HG       LYS  30   7.855   3.920  -6.150
  210   2HG   LYS  30          2HG       LYS  30   9.151   5.073  -5.784
  211   1HD   LYS  30          1HD       LYS  30   9.917   4.785  -8.208
  212   2HD   LYS  30          2HD       LYS  30   8.401   3.917  -8.496
  213   1HE   LYS  30          1HE       LYS  30   8.760   6.801  -7.560
  214   2HE   LYS  30          2HE       LYS  30   8.131   6.265  -9.125
  215   1HZ   LYS  30          1HZ       LYS  30   6.831   5.833  -6.521
  216   2HZ   LYS  30          2HZ       LYS  30   6.409   6.967  -7.632
  217   3HZ   LYS  30          3HZ       LYS  30   6.208   5.379  -7.977
  218    H    GLU  31           H        GLU  31  11.566   2.233  -3.241
  219    HA   GLU  31           HA       GLU  31  13.016   0.103  -4.235
  220   1HB   GLU  31          1HB       GLU  31  12.786   1.620  -1.587
  221   2HB   GLU  31          2HB       GLU  31  14.110   0.588  -2.045
  222   1HG   GLU  31          1HG       GLU  31  14.803   2.081  -3.812
  223   2HG   GLU  31          2HG       GLU  31  13.368   3.095  -3.599
  224    H    HIS  32           H        HIS  32  10.965   0.568  -1.406
  225    HA   HIS  32           HA       HIS  32  10.623  -2.383  -0.961
  226   1HB   HIS  32          1HB       HIS  32  10.430  -1.860   1.457
  227   2HB   HIS  32          2HB       HIS  32  11.958  -1.532   0.822
  228    HD1  HIS  32           HD1      HIS  32  12.441   1.263   0.488
  229    HD2  HIS  32           HD2      HIS  32   8.976   0.190   2.513
  230    HE1  HIS  32           HE1      HIS  32  11.427   3.351   1.474
  231    H    ARG  33           H        ARG  33   8.796  -2.438   0.770
  232    HA   ARG  33           HA       ARG  33   6.399  -1.057  -0.363
  233   1HB   ARG  33          1HB       ARG  33   6.688  -3.824   0.846
  234   2HB   ARG  33          2HB       ARG  33   5.195  -3.070   0.413
  235   1HG   ARG  33          1HG       ARG  33   6.814  -2.913  -1.948
  236   2HG   ARG  33          2HG       ARG  33   7.009  -4.543  -1.290
  237   1HD   ARG  33          1HD       ARG  33   5.143  -4.609  -2.797
  238   2HD   ARG  33          2HD       ARG  33   4.490  -4.721  -1.157
  239    HE   ARG  33           HE       ARG  33   4.650  -1.985  -2.143
  240   1HH1  ARG  33          1HH2      ARG  33   2.582  -4.881  -2.239
  241   2HH1  ARG  33          2HH2      ARG  33   1.131  -3.961  -2.546
  242   1HH2  ARG  33          1HH1      ARG  33   2.787  -0.834  -2.539
  243   2HH2  ARG  33          2HH1      ARG  33   1.233  -1.630  -2.700
  244    H    PHE  34           H        PHE  34   4.597  -0.914   1.024
  245    HA   PHE  34           HA       PHE  34   5.054   0.666   3.285
  246   1HB   PHE  34          1HB       PHE  34   2.924   1.020   2.566
  247   2HB   PHE  34          2HB       PHE  34   2.751  -0.582   1.954
  248    HD1  PHE  34           HD1      PHE  34   2.665   1.378   5.144
  249    HD2  PHE  34           HD2      PHE  34   1.638  -2.328   3.189
  250    HE1  PHE  34           HE1      PHE  34   1.384   0.678   7.141
  251    HE2  PHE  34           HE2      PHE  34   0.474  -3.076   5.246
  252    HZ   PHE  34           HZ       PHE  34   0.298  -1.558   7.202
  253    H    ALA  35           H        ALA  35   4.349  -2.851   3.226
  254    HA   ALA  35           HA       ALA  35   4.204  -3.248   6.001
  255   1HB   ALA  35          1HB       ALA  35   3.506  -4.908   4.327
  256   2HB   ALA  35          2HB       ALA  35   5.198  -5.146   3.834
  257   3HB   ALA  35          3HB       ALA  35   4.670  -5.613   5.467
  258    H    GLN  36           H        GLN  36   7.024  -3.205   3.854
  259    HA   GLN  36           HA       GLN  36   8.976  -3.990   5.828
  260   1HB   GLN  36          1HB       GLN  36   9.183  -2.591   3.134
  261   2HB   GLN  36          2HB       GLN  36  10.543  -3.251   4.001
  262   1HG   GLN  36          1HG       GLN  36   8.151  -4.833   2.900
  263   2HG   GLN  36          2HG       GLN  36   9.743  -4.714   2.173
  264   1HE2  GLN  36          2HE2      GLN  36   7.874  -6.101   4.849
  265   2HE2  GLN  36          1HE2      GLN  36   9.086  -7.269   5.335
  266    H    CYS  37           H        CYS  37   7.587  -0.932   4.759
  267    HA   CYS  37           HA       CYS  37   9.670   0.770   5.468
  268   1HB   CYS  37          1HB       CYS  37   7.536   1.234   4.130
  269   2HB   CYS  37          2HB       CYS  37   6.725   1.475   5.642
  270    HA   PRO  38           HA       PRO  38   9.211   0.880   9.994
  271   1HB   PRO  38          1HB       PRO  38  10.765   3.039  10.590
  272   2HB   PRO  38          2HB       PRO  38  11.429   1.498   9.979
  273   1HG   PRO  38          1HG       PRO  38  10.829   3.959   8.340
  274   2HG   PRO  38          2HG       PRO  38  12.356   3.032   8.408
  275   1HD   PRO  38          1HD       PRO  38  10.523   2.571   6.485
  276   2HD   PRO  38          2HD       PRO  38  11.405   1.207   7.220
  277    H    LYS  39           H        LYS  39   8.617   3.596   7.852
  278    HA   LYS  39           HA       LYS  39   7.421   5.402   9.658
  279   1HB   LYS  39          1HB       LYS  39   8.121   5.449   6.963
  280   2HB   LYS  39          2HB       LYS  39   6.398   5.422   6.857
  281   1HG   LYS  39          1HG       LYS  39   7.967   7.465   8.464
  282   2HG   LYS  39          2HG       LYS  39   7.241   7.705   6.865
  283   1HD   LYS  39          1HD       LYS  39   4.985   7.150   7.867
  284   2HD   LYS  39          2HD       LYS  39   5.757   7.141   9.467
  285   1HE   LYS  39          1HE       LYS  39   6.467   9.488   9.154
  286   2HE   LYS  39          2HE       LYS  39   5.681   9.514   7.562
  287   1HZ   LYS  39          1HZ       LYS  39   4.331   9.046  10.127
  288   2HZ   LYS  39          2HZ       LYS  39   4.290  10.445   9.254
  289   3HZ   LYS  39          3HZ       LYS  39   3.604   9.073   8.649
  Start of MODEL   19
    1   1H    LEU   1          1H        LEU   1  -8.187   1.839   9.565
    2   2H    LEU   1          2H        LEU   1  -6.757   2.038   8.703
    3   3H    LEU   1          3H        LEU   1  -7.966   3.203   8.607
    4    HA   LEU   1           HA       LEU   1  -8.120   0.429   7.662
    5   1HB   LEU   1          1HB       LEU   1 -10.279   1.206   8.493
    6   2HB   LEU   1          2HB       LEU   1 -10.150   2.690   7.545
    7    HG   LEU   1           HG       LEU   1 -10.253   1.355   5.438
    8   1HD1  LEU   1          1HD1      LEU   1 -10.658  -1.000   7.337
    9   2HD1  LEU   1          2HD1      LEU   1 -10.985  -1.030   5.594
   10   3HD1  LEU   1          3HD1      LEU   1  -9.331  -0.790   6.172
   11   1HD2  LEU   1          1HD2      LEU   1 -12.295   2.298   6.436
   12   2HD2  LEU   1          2HD2      LEU   1 -12.626   0.762   5.617
   13   3HD2  LEU   1          3HD2      LEU   1 -12.523   0.815   7.390
   14    H    THR   2           H        THR   2  -6.486   0.411   6.120
   15    HA   THR   2           HA       THR   2  -7.037   1.977   3.771
   16    HB   THR   2           HB       THR   2  -5.554   3.538   5.008
   17    HG1  THR   2           HG1      THR   2  -4.207   2.391   2.804
   18   1HG2  THR   2          1HG2      THR   2  -3.416   1.368   4.768
   19   2HG2  THR   2          2HG2      THR   2  -3.197   3.020   5.371
   20   3HG2  THR   2          3HG2      THR   2  -4.195   1.875   6.284
   21    H    CYS   3           H        CYS   3  -6.302   1.163   1.919
   22    HA   CYS   3           HA       CYS   3  -6.000  -1.622   1.826
   23   1HB   CYS   3          1HB       CYS   3  -7.092  -0.212   0.146
   24   2HB   CYS   3          2HB       CYS   3  -5.555   0.444  -0.348
   25    H    PHE   4           H        PHE   4  -4.236  -2.864   2.011
   26    HA   PHE   4           HA       PHE   4  -1.545  -1.717   2.107
   27   1HB   PHE   4          1HB       PHE   4  -2.490  -4.552   2.602
   28   2HB   PHE   4          2HB       PHE   4  -0.996  -3.802   3.146
   29    HD1  PHE   4           HD1      PHE   4  -1.720  -1.329   4.450
   30    HD2  PHE   4           HD2      PHE   4  -3.864  -5.073   4.429
   31    HE1  PHE   4           HE1      PHE   4  -2.759  -0.742   6.608
   32    HE2  PHE   4           HE2      PHE   4  -4.908  -4.472   6.592
   33    HZ   PHE   4           HZ       PHE   4  -4.366  -2.307   7.684
   34    H    ASN   5           H        ASN   5  -2.826  -1.755  -0.461
   35    HA   ASN   5           HA       ASN   5  -0.954  -3.449  -2.029
   36   1HB   ASN   5          1HB       ASN   5  -2.904  -4.830  -1.819
   37   2HB   ASN   5          2HB       ASN   5  -4.000  -3.516  -2.148
   38   1HD2  ASN   5          2HD2      ASN   5  -4.526  -2.973  -4.259
   39   2HD2  ASN   5          1HD2      ASN   5  -3.896  -3.809  -5.651
   40    H    CYS   6           H        CYS   6  -3.862  -1.504  -2.739
   41    HA   CYS   6           HA       CYS   6  -2.416   0.019  -4.744
   42   1HB   CYS   6          1HB       CYS   6  -4.431   0.637  -5.548
   43   2HB   CYS   6          2HB       CYS   6  -4.759  -0.975  -4.986
   44    H    GLY   7           H        GLY   7  -2.999   0.396  -1.379
   45   1HA   GLY   7          1HA       GLY   7  -2.319   2.034   0.021
   46   2HA   GLY   7          2HA       GLY   7  -1.676   2.926  -1.362
   47    H    LYS   8           H        LYS   8  -5.088   2.153  -1.536
   48    HA   LYS   8           HA       LYS   8  -5.708   5.001  -1.103
   49   1HB   LYS   8          1HB       LYS   8  -7.188   2.690  -2.354
   50   2HB   LYS   8          2HB       LYS   8  -7.922   4.249  -2.024
   51   1HG   LYS   8          1HG       LYS   8  -6.160   5.367  -3.423
   52   2HG   LYS   8          2HG       LYS   8  -5.443   3.787  -3.752
   53   1HD   LYS   8          1HD       LYS   8  -6.742   4.430  -5.651
   54   2HD   LYS   8          2HD       LYS   8  -7.574   3.076  -4.869
   55   1HE   LYS   8          1HE       LYS   8  -9.207   4.619  -3.859
   56   2HE   LYS   8          2HE       LYS   8  -8.292   6.019  -4.455
   57   1HZ   LYS   8          1HZ       LYS   8  -8.780   5.312  -6.676
   58   2HZ   LYS   8          2HZ       LYS   8  -9.629   4.010  -6.124
   59   3HZ   LYS   8          3HZ       LYS   8 -10.167   5.536  -5.818
   60    HA   PRO   9           HA       PRO   9  -7.425   3.823   2.853
   61   1HB   PRO   9          1HB       PRO   9  -8.671   6.124   3.603
   62   2HB   PRO   9          2HB       PRO   9  -6.898   6.000   3.457
   63   1HG   PRO   9          1HG       PRO   9  -8.854   7.037   1.377
   64   2HG   PRO   9          2HG       PRO   9  -7.385   7.856   1.988
   65   1HD   PRO   9          1HD       PRO   9  -7.381   6.391  -0.315
   66   2HD   PRO   9          2HD       PRO   9  -5.968   6.387   0.788
   67    H    GLY  10           H        GLY  10  -9.584   3.788   3.982
   68   1HA   GLY  10          1HA       GLY  10 -11.896   3.739   4.075
   69   2HA   GLY  10          2HA       GLY  10 -12.011   4.111   2.352
   70    H    HIS  11           H        HIS  11  -9.777   1.581   2.716
   71    HA   HIS  11           HA       HIS  11 -11.597  -0.606   3.152
   72   1HB   HIS  11          1HB       HIS  11 -11.407  -1.664   0.963
   73   2HB   HIS  11          2HB       HIS  11 -12.242  -0.230   0.848
   74    HD1  HIS  11           HD1      HIS  11 -10.776   1.883  -0.396
   75    HD2  HIS  11           HD2      HIS  11  -9.415  -1.998  -0.591
   76    HE1  HIS  11           HE1      HIS  11  -9.196   1.727  -2.359
   77    H    THR  12           H        THR  12 -10.331  -2.532   2.098
   78    HA   THR  12           HA       THR  12  -7.516  -2.525   3.136
   79    HB   THR  12           HB       THR  12  -9.512  -4.764   3.673
   80    HG1  THR  12           HG1      THR  12 -10.112  -2.878   4.787
   81   1HG2  THR  12          1HG2      THR  12  -7.844  -5.389   5.421
   82   2HG2  THR  12          2HG2      THR  12  -7.143  -5.486   3.802
   83   3HG2  THR  12          3HG2      THR  12  -6.776  -4.096   4.845
   84    H    ALA  13           H        ALA  13  -6.135  -4.126   2.184
   85    HA   ALA  13           HA       ALA  13  -6.448  -4.524  -0.583
   86   1HB   ALA  13          1HB       ALA  13  -4.744  -6.056   1.437
   87   2HB   ALA  13          2HB       ALA  13  -4.522  -6.094  -0.325
   88   3HB   ALA  13          3HB       ALA  13  -4.262  -4.582   0.567
   89    H    ARG  14           H        ARG  14  -7.564  -6.447   2.075
   90    HA   ARG  14           HA       ARG  14  -8.109  -8.916   0.881
   91   1HB   ARG  14          1HB       ARG  14  -8.436  -8.328   3.268
   92   2HB   ARG  14          2HB       ARG  14  -9.746  -7.249   2.867
   93   1HG   ARG  14          1HG       ARG  14 -10.624  -9.351   3.748
   94   2HG   ARG  14          2HG       ARG  14 -11.166  -9.055   2.100
   95   1HD   ARG  14          1HD       ARG  14  -9.305 -10.666   1.318
   96   2HD   ARG  14          2HD       ARG  14  -9.001 -10.992   3.025
   97    HE   ARG  14           HE       ARG  14 -10.885 -12.302   3.095
   98   1HH1  ARG  14          1HH2      ARG  14 -11.037 -10.318   0.125
   99   2HH1  ARG  14          2HH2      ARG  14 -12.387 -11.207  -0.526
  100   1HH2  ARG  14          1HH1      ARG  14 -12.663 -13.428   2.208
  101   2HH2  ARG  14          2HH1      ARG  14 -13.319 -12.966   0.659
  102    H    MET  15           H        MET  15  -9.935  -5.937   0.982
  103    HA   MET  15           HA       MET  15 -12.233  -6.882  -0.524
  104   1HB   MET  15          1HB       MET  15 -11.482  -4.066   0.390
  105   2HB   MET  15          2HB       MET  15 -13.059  -4.643  -0.131
  106   1HG   MET  15          1HG       MET  15 -12.827  -6.379   1.799
  107   2HG   MET  15          2HG       MET  15 -11.534  -5.337   2.391
  108   1HE   MET  15          1HE       MET  15 -13.947  -6.153   4.195
  109   2HE   MET  15          2HE       MET  15 -12.651  -5.048   4.717
  110   3HE   MET  15          3HE       MET  15 -14.355  -4.596   4.951
  111    H    CYS  16           H        CYS  16  -9.273  -5.105  -1.215
  112    HA   CYS  16           HA       CYS  16 -10.142  -3.741  -3.521
  113   1HB   CYS  16          1HB       CYS  16  -8.179  -3.293  -1.991
  114   2HB   CYS  16          2HB       CYS  16  -7.298  -4.555  -2.843
  115    H    ARG  17           H        ARG  17  -9.643  -4.031  -5.631
  116    HA   ARG  17           HA       ARG  17  -9.076  -6.784  -6.637
  117   1HB   ARG  17          1HB       ARG  17 -11.394  -5.959  -6.993
  118   2HB   ARG  17          2HB       ARG  17 -10.753  -4.582  -7.907
  119   1HG   ARG  17          1HG       ARG  17  -9.802  -6.123  -9.591
  120   2HG   ARG  17          2HG       ARG  17 -10.331  -7.521  -8.628
  121   1HD   ARG  17          1HD       ARG  17 -12.687  -6.815  -8.905
  122   2HD   ARG  17          2HD       ARG  17 -12.154  -5.409  -9.857
  123    HE   ARG  17           HE       ARG  17 -11.060  -7.743 -11.029
  124   1HH1  ARG  17          1HH1      ARG  17 -14.236  -6.230 -10.557
  125   2HH1  ARG  17          2HH1      ARG  17 -14.931  -6.941 -11.990
  126   1HH2  ARG  17          1HH2      ARG  17 -11.983  -8.672 -12.909
  127   2HH2  ARG  17          2HH2      ARG  17 -13.641  -8.338 -13.334
  128    H    GLN  18           H        GLN  18  -8.386  -3.316  -6.949
  129    HA   GLN  18           HA       GLN  18  -7.088  -3.082  -9.270
  130   1HB   GLN  18          1HB       GLN  18  -7.830  -1.456  -7.714
  131   2HB   GLN  18          2HB       GLN  18  -6.413  -1.717  -6.662
  132   1HG   GLN  18          1HG       GLN  18  -5.003  -0.970  -8.500
  133   2HG   GLN  18          2HG       GLN  18  -6.464  -0.795  -9.538
  134   1HE2  GLN  18          2HE2      GLN  18  -8.280   0.582  -8.204
  135   2HE2  GLN  18          1HE2      GLN  18  -7.662   2.127  -7.657
  136    HA   PRO  19           HA       PRO  19  -3.148  -5.243  -8.875
  137   1HB   PRO  19          1HB       PRO  19  -2.056  -2.838 -10.311
  138   2HB   PRO  19          2HB       PRO  19  -1.822  -4.561 -10.702
  139   1HG   PRO  19          1HG       PRO  19  -3.575  -3.065 -12.154
  140   2HG   PRO  19          2HG       PRO  19  -3.997  -4.732 -11.659
  141   1HD   PRO  19          1HD       PRO  19  -4.921  -2.147 -10.377
  142   2HD   PRO  19          2HD       PRO  19  -5.838  -3.598 -10.723
  143    H    ARG  20           H        ARG  20  -0.792  -4.672  -8.250
  144    HA   ARG  20           HA       ARG  20  -0.954  -3.207  -5.722
  145   1HB   ARG  20          1HB       ARG  20   0.883  -4.433  -5.014
  146   2HB   ARG  20          2HB       ARG  20  -0.125  -5.576  -5.881
  147   1HG   ARG  20          1HG       ARG  20   2.432  -4.248  -6.906
  148   2HG   ARG  20          2HG       ARG  20   2.269  -5.888  -6.305
  149   1HD   ARG  20          1HD       ARG  20   1.120  -4.725  -8.865
  150   2HD   ARG  20          2HD       ARG  20   2.379  -5.951  -8.701
  151    HE   ARG  20           HE       ARG  20   0.198  -7.046  -7.388
  152   1HH1  ARG  20          1HH1      ARG  20   0.884  -5.944 -10.692
  153   2HH1  ARG  20          2HH1      ARG  20  -0.295  -7.001 -11.425
  154   1HH2  ARG  20          1HH2      ARG  20  -1.356  -8.416  -8.358
  155   2HH2  ARG  20          2HH2      ARG  20  -1.570  -8.420 -10.089
  156    H    GLN  21           H        GLN  21   1.230  -2.216  -5.012
  157    HA   GLN  21           HA       GLN  21   1.567   0.169  -6.400
  158   1HB   GLN  21          1HB       GLN  21   3.128   0.363  -4.419
  159   2HB   GLN  21          2HB       GLN  21   1.432   0.119  -4.063
  160   1HG   GLN  21          1HG       GLN  21   3.088  -1.068  -2.566
  161   2HG   GLN  21          2HG       GLN  21   1.825  -2.079  -3.231
  162   1HE2  GLN  21          2HE2      GLN  21   5.199  -1.007  -3.922
  163   2HE2  GLN  21          1HE2      GLN  21   5.742  -2.546  -4.560
  164    H    GLU  22           H        GLU  22   3.787   1.138  -6.709
  165    HA   GLU  22           HA       GLU  22   5.567  -0.441  -8.294
  166   1HB   GLU  22          1HB       GLU  22   5.219   2.447  -7.296
  167   2HB   GLU  22          2HB       GLU  22   6.602   1.885  -8.182
  168   1HG   GLU  22          1HG       GLU  22   5.022   1.107 -10.020
  169   2HG   GLU  22          2HG       GLU  22   3.716   1.903  -9.133
  170    H    GLY  23           H        GLY  23   5.694   1.596  -5.394
  171   1HA   GLY  23          1HA       GLY  23   7.608  -0.210  -4.016
  172   2HA   GLY  23          2HA       GLY  23   8.013   1.501  -4.212
  173    H    CYS  24           H        CYS  24   7.646   2.475  -2.264
  174    HA   CYS  24           HA       CYS  24   5.586   1.511  -0.443
  175   1HB   CYS  24          1HB       CYS  24   7.932   2.349   0.206
  176   2HB   CYS  24          2HB       CYS  24   7.326   3.958  -0.095
  177    H    TRP  25           H        TRP  25   3.525   2.059  -0.886
  178    HA   TRP  25           HA       TRP  25   2.772   4.481  -2.289
  179   1HB   TRP  25          1HB       TRP  25   0.496   3.670  -1.837
  180   2HB   TRP  25          2HB       TRP  25   1.488   2.482  -2.593
  181    HD1  TRP  25           HD1      TRP  25   1.402   0.199  -1.587
  182    HE1  TRP  25           HE1      TRP  25   0.572  -0.882   0.647
  183    HE3  TRP  25           HE3      TRP  25  -0.054   4.371   0.749
  184    HZ2  TRP  25           HZ2      TRP  25  -0.594   0.057   3.116
  185    HZ3  TRP  25           HZ3      TRP  25  -0.373   4.326   3.263
  186    HH2  TRP  25           HH2      TRP  25  -0.964   2.168   4.362
  187    H    ASN  26           H        ASN  26   3.247   3.528   1.053
  188    HA   ASN  26           HA       ASN  26   1.465   5.453   2.268
  189   1HB   ASN  26          1HB       ASN  26   2.088   3.244   3.172
  190   2HB   ASN  26          2HB       ASN  26   3.735   3.701   3.256
  191   1HD2  ASN  26          2HD2      ASN  26   4.203   3.607   5.432
  192   2HD2  ASN  26          1HD2      ASN  26   3.274   4.462   6.635
  193    H    CYS  27           H        CYS  27   4.960   5.137   2.105
  194    HA   CYS  27           HA       CYS  27   5.288   7.967   2.902
  195   1HB   CYS  27          1HB       CYS  27   7.128   7.442   3.903
  196   2HB   CYS  27          2HB       CYS  27   6.423   5.859   3.995
  197    H    GLY  28           H        GLY  28   5.416   6.105  -0.025
  198   1HA   GLY  28          1HA       GLY  28   5.443   7.145  -2.098
  199   2HA   GLY  28          2HA       GLY  28   6.219   8.572  -1.432
  200    H    SER  29           H        SER  29   7.929   5.795  -0.392
  201    HA   SER  29           HA       SER  29  10.213   6.348  -1.983
  202   1HB   SER  29          1HB       SER  29  10.084   5.236   0.347
  203   2HB   SER  29          2HB       SER  29   9.610   3.768  -0.475
  204    HG   SER  29           HG       SER  29  12.041   5.154  -0.876
  205    H    LYS  30           H        LYS  30  11.226   4.946  -3.467
  206    HA   LYS  30           HA       LYS  30   9.558   3.048  -4.990
  207   1HB   LYS  30          1HB       LYS  30  11.083   5.400  -5.726
  208   2HB   LYS  30          2HB       LYS  30  11.944   3.992  -6.329
  209   1HG   LYS  30          1HG       LYS  30   9.757   3.178  -7.283
  210   2HG   LYS  30          2HG       LYS  30   8.987   4.659  -6.653
  211   1HD   LYS  30          1HD       LYS  30  10.531   6.021  -8.095
  212   2HD   LYS  30          2HD       LYS  30  11.151   4.522  -8.811
  213   1HE   LYS  30          1HE       LYS  30   8.245   5.483  -8.874
  214   2HE   LYS  30          2HE       LYS  30   9.391   5.598 -10.219
  215   1HZ   LYS  30          1HZ       LYS  30   8.500   3.086  -8.987
  216   2HZ   LYS  30          2HZ       LYS  30   7.904   3.708 -10.379
  217   3HZ   LYS  30          3HZ       LYS  30   9.485   3.233 -10.301
  218    H    GLU  31           H        GLU  31  12.267   3.375  -2.795
  219    HA   GLU  31           HA       GLU  31  14.016   1.430  -3.758
  220   1HB   GLU  31          1HB       GLU  31  13.428   2.806  -1.093
  221   2HB   GLU  31          2HB       GLU  31  14.867   1.921  -1.474
  222   1HG   GLU  31          1HG       GLU  31  15.702   3.556  -2.935
  223   2HG   GLU  31          2HG       GLU  31  14.120   4.285  -3.215
  224    H    HIS  32           H        HIS  32  11.551   1.602  -1.219
  225    HA   HIS  32           HA       HIS  32  11.407  -1.380  -0.965
  226   1HB   HIS  32          1HB       HIS  32  11.079  -1.112   1.410
  227   2HB   HIS  32          2HB       HIS  32  12.588  -0.379   0.956
  228    HD1  HIS  32           HD1      HIS  32  12.650   2.339   1.002
  229    HD2  HIS  32           HD2      HIS  32   9.124   0.649   2.417
  230    HE1  HIS  32           HE1      HIS  32  11.263   4.153   2.051
  231    H    ARG  33           H        ARG  33   9.338  -1.823   0.406
  232    HA   ARG  33           HA       ARG  33   7.037  -0.445  -0.864
  233   1HB   ARG  33          1HB       ARG  33   7.324  -3.296   0.136
  234   2HB   ARG  33          2HB       ARG  33   5.949  -2.589  -0.683
  235   1HG   ARG  33          1HG       ARG  33   7.374  -2.153  -2.702
  236   2HG   ARG  33          2HG       ARG  33   8.698  -3.039  -1.928
  237   1HD   ARG  33          1HD       ARG  33   5.937  -4.166  -2.547
  238   2HD   ARG  33          2HD       ARG  33   7.399  -4.437  -3.517
  239    HE   ARG  33           HE       ARG  33   8.088  -5.205  -0.934
  240   1HH1  ARG  33          1HH2      ARG  33   5.686  -6.210  -3.349
  241   2HH1  ARG  33          2HH2      ARG  33   5.633  -7.863  -2.795
  242   1HH2  ARG  33          1HH1      ARG  33   8.008  -7.379  -0.213
  243   2HH2  ARG  33          2HH1      ARG  33   6.961  -8.530  -1.002
  244    H    PHE  34           H        PHE  34   5.003  -0.612   0.378
  245    HA   PHE  34           HA       PHE  34   5.272   0.654   2.890
  246   1HB   PHE  34          1HB       PHE  34   3.254   1.094   1.854
  247   2HB   PHE  34          2HB       PHE  34   2.979  -0.549   1.401
  248    HD1  PHE  34           HD1      PHE  34   1.694  -2.024   2.839
  249    HD2  PHE  34           HD2      PHE  34   3.305   1.633   4.438
  250    HE1  PHE  34           HE1      PHE  34   0.529  -2.433   4.985
  251    HE2  PHE  34           HE2      PHE  34   2.027   1.303   6.522
  252    HZ   PHE  34           HZ       PHE  34   0.628  -0.742   6.805
  253    H    ALA  35           H        ALA  35   4.740  -2.816   2.199
  254    HA   ALA  35           HA       ALA  35   4.401  -3.745   4.816
  255   1HB   ALA  35          1HB       ALA  35   4.112  -5.127   2.799
  256   2HB   ALA  35          2HB       ALA  35   5.863  -5.067   2.492
  257   3HB   ALA  35          3HB       ALA  35   5.239  -5.895   3.935
  258    H    GLN  36           H        GLN  36   7.383  -2.870   3.117
  259    HA   GLN  36           HA       GLN  36   9.193  -3.811   5.188
  260   1HB   GLN  36          1HB       GLN  36   9.594  -2.034   2.757
  261   2HB   GLN  36          2HB       GLN  36  10.869  -2.793   3.670
  262   1HG   GLN  36          1HG       GLN  36   8.706  -4.237   2.032
  263   2HG   GLN  36          2HG       GLN  36  10.363  -3.947   1.543
  264   1HE2  GLN  36          2HE2      GLN  36   8.304  -5.729   3.860
  265   2HE2  GLN  36          1HE2      GLN  36   9.487  -6.968   4.222
  266    H    CYS  37           H        CYS  37   7.632  -0.783   4.271
  267    HA   CYS  37           HA       CYS  37   9.401   1.035   5.407
  268   1HB   CYS  37          1HB       CYS  37   7.324   1.433   3.909
  269   2HB   CYS  37          2HB       CYS  37   6.380   1.363   5.346
  270    HA   PRO  38           HA       PRO  38   8.517   0.549   9.829
  271   1HB   PRO  38          1HB       PRO  38   9.526   2.909  10.798
  272   2HB   PRO  38          2HB       PRO  38  10.546   1.567  10.213
  273   1HG   PRO  38          1HG       PRO  38   9.736   4.030   8.670
  274   2HG   PRO  38          2HG       PRO  38  11.373   3.338   8.860
  275   1HD   PRO  38          1HD       PRO  38   9.867   2.816   6.685
  276   2HD   PRO  38          2HD       PRO  38  10.868   1.527   7.394
  277    H    LYS  39           H        LYS  39   7.714   3.443   7.975
  278    HA   LYS  39           HA       LYS  39   5.596   4.396   9.659
  279   1HB   LYS  39          1HB       LYS  39   6.999   5.535   7.646
  280   2HB   LYS  39          2HB       LYS  39   5.648   4.965   6.691
  281   1HG   LYS  39          1HG       LYS  39   4.121   6.095   8.457
  282   2HG   LYS  39          2HG       LYS  39   5.625   6.720   9.154
  283   1HD   LYS  39          1HD       LYS  39   4.682   8.466   7.830
  284   2HD   LYS  39          2HD       LYS  39   6.093   7.870   6.938
  285   1HE   LYS  39          1HE       LYS  39   4.630   6.596   5.429
  286   2HE   LYS  39          2HE       LYS  39   3.210   6.987   6.423
  287   1HZ   LYS  39          1HZ       LYS  39   4.820   8.942   4.951
  288   2HZ   LYS  39          2HZ       LYS  39   3.379   8.315   4.451
  289   3HZ   LYS  39          3HZ       LYS  39   3.446   9.246   5.812
  Start of MODEL   20
    1   1H    LEU   1          1H        LEU   1  -8.960   2.202   9.006
    2   2H    LEU   1          2H        LEU   1  -7.478   2.396   8.235
    3   3H    LEU   1          3H        LEU   1  -8.696   3.533   8.013
    4    HA   LEU   1           HA       LEU   1  -8.737   0.725   7.169
    5   1HB   LEU   1          1HB       LEU   1 -10.957   1.475   7.821
    6   2HB   LEU   1          2HB       LEU   1 -10.800   2.935   6.838
    7    HG   LEU   1           HG       LEU   1 -10.768   1.571   4.772
    8   1HD1  LEU   1          1HD2      LEU   1 -11.097  -0.786   6.680
    9   2HD1  LEU   1          2HD2      LEU   1 -11.373  -0.858   4.929
   10   3HD1  LEU   1          3HD2      LEU   1  -9.755  -0.504   5.545
   11   1HD2  LEU   1          1HD1      LEU   1 -12.906   2.397   5.670
   12   2HD2  LEU   1          2HD1      LEU   1 -13.111   0.836   4.856
   13   3HD2  LEU   1          3HD1      LEU   1 -13.087   0.912   6.630
   14    H    THR   2           H        THR   2  -7.004   0.679   5.746
   15    HA   THR   2           HA       THR   2  -7.315   2.228   3.331
   16    HB   THR   2           HB       THR   2  -5.990   3.799   4.709
   17    HG1  THR   2           HG1      THR   2  -5.592   3.719   2.499
   18   1HG2  THR   2          1HG2      THR   2  -3.859   1.615   4.795
   19   2HG2  THR   2          2HG2      THR   2  -3.717   3.271   5.410
   20   3HG2  THR   2          3HG2      THR   2  -4.838   2.139   6.184
   21    H    CYS   3           H        CYS   3  -6.432   1.383   1.571
   22    HA   CYS   3           HA       CYS   3  -6.110  -1.403   1.580
   23   1HB   CYS   3          1HB       CYS   3  -7.131  -0.055  -0.194
   24   2HB   CYS   3          2HB       CYS   3  -5.566   0.591  -0.638
   25    H    PHE   4           H        PHE   4  -4.317  -2.591   1.960
   26    HA   PHE   4           HA       PHE   4  -1.649  -1.412   2.064
   27   1HB   PHE   4          1HB       PHE   4  -2.534  -4.268   2.537
   28   2HB   PHE   4          2HB       PHE   4  -1.090  -3.475   3.141
   29    HD1  PHE   4           HD1      PHE   4  -3.893  -4.876   4.350
   30    HD2  PHE   4           HD2      PHE   4  -2.026  -0.987   4.368
   31    HE1  PHE   4           HE1      PHE   4  -5.065  -4.306   6.454
   32    HE2  PHE   4           HE2      PHE   4  -3.200  -0.426   6.458
   33    HZ   PHE   4           HZ       PHE   4  -4.734  -2.082   7.509
   34    H    ASN   5           H        ASN   5  -2.960  -1.652  -0.588
   35    HA   ASN   5           HA       ASN   5  -0.980  -3.359  -2.027
   36   1HB   ASN   5          1HB       ASN   5  -2.906  -4.728  -1.876
   37   2HB   ASN   5          2HB       ASN   5  -4.015  -3.423  -2.162
   38   1HD2  ASN   5          2HD2      ASN   5  -4.790  -3.108  -4.187
   39   2HD2  ASN   5          1HD2      ASN   5  -4.124  -3.813  -5.637
   40    H    CYS   6           H        CYS   6  -3.827  -1.420  -2.940
   41    HA   CYS   6           HA       CYS   6  -2.273   0.042  -4.914
   42   1HB   CYS   6          1HB       CYS   6  -4.261   0.614  -5.857
   43   2HB   CYS   6          2HB       CYS   6  -4.553  -1.016  -5.310
   44    H    GLY   7           H        GLY   7  -3.160   0.516  -1.616
   45   1HA   GLY   7          1HA       GLY   7  -2.484   2.199  -0.253
   46   2HA   GLY   7          2HA       GLY   7  -1.959   3.145  -1.646
   47    H    LYS   8           H        LYS   8  -5.314   2.287  -2.124
   48    HA   LYS   8           HA       LYS   8  -5.992   5.019  -1.682
   49   1HB   LYS   8          1HB       LYS   8  -7.250   2.495  -2.796
   50   2HB   LYS   8          2HB       LYS   8  -8.097   3.988  -2.626
   51   1HG   LYS   8          1HG       LYS   8  -6.368   5.159  -4.016
   52   2HG   LYS   8          2HG       LYS   8  -5.557   3.600  -4.255
   53   1HD   LYS   8          1HD       LYS   8  -7.733   2.726  -5.250
   54   2HD   LYS   8          2HD       LYS   8  -8.366   4.375  -5.172
   55   1HE   LYS   8          1HE       LYS   8  -5.895   3.455  -6.724
   56   2HE   LYS   8          2HE       LYS   8  -7.482   3.825  -7.419
   57   1HZ   LYS   8          1HZ       LYS   8  -7.225   6.078  -6.659
   58   2HZ   LYS   8          2HZ       LYS   8  -5.732   5.739  -6.045
   59   3HZ   LYS   8          3HZ       LYS   8  -5.996   5.645  -7.667
   60    HA   PRO   9           HA       PRO   9  -7.821   3.984   2.296
   61   1HB   PRO   9          1HB       PRO   9  -9.151   6.288   2.883
   62   2HB   PRO   9          2HB       PRO   9  -7.372   6.188   2.842
   63   1HG   PRO   9          1HG       PRO   9  -9.230   7.119   0.626
   64   2HG   PRO   9          2HG       PRO   9  -7.796   7.975   1.268
   65   1HD   PRO   9          1HD       PRO   9  -7.691   6.414  -0.975
   66   2HD   PRO   9          2HD       PRO   9  -6.318   6.483   0.175
   67    H    GLY  10           H        GLY  10  -9.991   3.872   3.320
   68   1HA   GLY  10          1HA       GLY  10 -12.312   3.790   3.335
   69   2HA   GLY  10          2HA       GLY  10 -12.374   4.105   1.598
   70    H    HIS  11           H        HIS  11 -10.088   1.659   2.048
   71    HA   HIS  11           HA       HIS  11 -11.838  -0.569   2.531
   72   1HB   HIS  11          1HB       HIS  11 -11.658  -1.671   0.420
   73   2HB   HIS  11          2HB       HIS  11 -12.450  -0.139   0.183
   74    HD1  HIS  11           HD1      HIS  11 -11.092   1.672  -1.285
   75    HD2  HIS  11           HD2      HIS  11  -9.256  -2.052  -0.911
   76    HE1  HIS  11           HE1      HIS  11  -9.315   1.483  -3.066
   77    H    THR  12           H        THR  12 -10.499  -2.601   1.882
   78    HA   THR  12           HA       THR  12  -7.706  -2.246   2.917
   79    HB   THR  12           HB       THR  12  -9.517  -4.630   3.474
   80    HG1  THR  12           HG1      THR  12  -9.844  -3.642   5.507
   81   1HG2  THR  12          1HG2      THR  12  -7.957  -4.942   5.396
   82   2HG2  THR  12          2HG2      THR  12  -7.102  -5.043   3.854
   83   3HG2  THR  12          3HG2      THR  12  -7.002  -3.559   4.828
   84    H    ALA  13           H        ALA  13  -6.176  -3.847   2.173
   85    HA   ALA  13           HA       ALA  13  -6.356  -4.379  -0.578
   86   1HB   ALA  13          1HB       ALA  13  -4.628  -5.687   1.580
   87   2HB   ALA  13          2HB       ALA  13  -4.352  -5.864  -0.167
   88   3HB   ALA  13          3HB       ALA  13  -4.197  -4.270   0.593
   89    H    ARG  14           H        ARG  14  -7.466  -6.229   2.123
   90    HA   ARG  14           HA       ARG  14  -7.785  -8.788   0.986
   91   1HB   ARG  14          1HB       ARG  14  -8.135  -8.032   3.380
   92   2HB   ARG  14          2HB       ARG  14  -9.628  -7.269   2.901
   93   1HG   ARG  14          1HG       ARG  14 -10.094  -9.415   3.937
   94   2HG   ARG  14          2HG       ARG  14 -10.590  -9.462   2.240
   95   1HD   ARG  14          1HD       ARG  14  -8.594 -10.748   1.645
   96   2HD   ARG  14          2HD       ARG  14  -7.945 -10.559   3.294
   97    HE   ARG  14           HE       ARG  14 -10.497 -11.760   3.475
   98   1HH1  ARG  14          1HH1      ARG  14  -7.271 -12.549   2.223
   99   2HH1  ARG  14          2HH1      ARG  14  -7.461 -14.268   2.454
  100   1HH2  ARG  14          1HH2      ARG  14 -10.736 -14.019   3.775
  101   2HH2  ARG  14          2HH2      ARG  14  -9.443 -15.107   3.342
  102    H    MET  15           H        MET  15  -9.799  -5.914   0.979
  103    HA   MET  15           HA       MET  15 -12.005  -7.027  -0.538
  104   1HB   MET  15          1HB       MET  15 -11.337  -4.132   0.183
  105   2HB   MET  15          2HB       MET  15 -12.863  -4.755  -0.403
  106   1HG   MET  15          1HG       MET  15 -12.731  -6.351   1.686
  107   2HG   MET  15          2HG       MET  15 -11.500  -5.237   2.257
  108   1HE   MET  15          1HE       MET  15 -15.262  -5.848   1.558
  109   2HE   MET  15          2HE       MET  15 -15.999  -4.255   1.833
  110   3HE   MET  15          3HE       MET  15 -15.014  -4.532   0.384
  111    H    CYS  16           H        CYS  16  -9.137  -5.090  -1.220
  112    HA   CYS  16           HA       CYS  16  -9.996  -4.090  -3.733
  113   1HB   CYS  16          1HB       CYS  16  -8.424  -2.994  -2.398
  114   2HB   CYS  16          2HB       CYS  16  -7.297  -4.193  -2.406
  115    H    ARG  17           H        ARG  17  -9.906  -4.897  -5.673
  116    HA   ARG  17           HA       ARG  17  -8.542  -7.440  -6.331
  117   1HB   ARG  17          1HB       ARG  17 -10.938  -7.161  -6.843
  118   2HB   ARG  17          2HB       ARG  17 -10.593  -5.709  -7.783
  119   1HG   ARG  17          1HG       ARG  17 -11.003  -7.616  -9.229
  120   2HG   ARG  17          2HG       ARG  17  -9.359  -7.012  -9.453
  121   1HD   ARG  17          1HD       ARG  17  -8.466  -8.857  -8.082
  122   2HD   ARG  17          2HD       ARG  17 -10.120  -9.409  -7.719
  123    HE   ARG  17           HE       ARG  17  -9.819  -9.317 -10.525
  124   1HH1  ARG  17          1HH2      ARG  17  -8.499 -11.133  -7.776
  125   2HH1  ARG  17          2HH2      ARG  17  -8.175 -12.568  -8.714
  126   1HH2  ARG  17          1HH1      ARG  17  -9.390 -11.206 -11.748
  127   2HH2  ARG  17          2HH1      ARG  17  -8.685 -12.608 -10.985
  128    H    GLN  18           H        GLN  18  -8.429  -4.005  -6.807
  129    HA   GLN  18           HA       GLN  18  -7.292  -3.576  -9.244
  130   1HB   GLN  18          1HB       GLN  18  -6.402  -1.979  -6.899
  131   2HB   GLN  18          2HB       GLN  18  -6.644  -1.463  -8.531
  132   1HG   GLN  18          1HG       GLN  18  -9.004  -1.692  -8.447
  133   2HG   GLN  18          2HG       GLN  18  -8.953  -2.263  -6.768
  134   1HE2  GLN  18          2HE2      GLN  18  -8.205   0.577  -8.814
  135   2HE2  GLN  18          1HE2      GLN  18  -8.349   1.744  -7.517
  136    HA   PRO  19           HA       PRO  19  -2.967  -4.779  -9.165
  137   1HB   PRO  19          1HB       PRO  19  -2.492  -1.984 -10.227
  138   2HB   PRO  19          2HB       PRO  19  -1.860  -3.532 -10.858
  139   1HG   PRO  19          1HG       PRO  19  -3.950  -2.293 -12.087
  140   2HG   PRO  19          2HG       PRO  19  -3.987  -4.064 -11.828
  141   1HD   PRO  19          1HD       PRO  19  -5.416  -1.943 -10.189
  142   2HD   PRO  19          2HD       PRO  19  -5.987  -3.493 -10.734
  143    H    ARG  20           H        ARG  20  -0.867  -4.145  -8.090
  144    HA   ARG  20           HA       ARG  20  -1.350  -2.613  -5.644
  145   1HB   ARG  20          1HB       ARG  20   0.582  -3.727  -4.848
  146   2HB   ARG  20          2HB       ARG  20  -0.155  -4.944  -5.904
  147   1HG   ARG  20          1HG       ARG  20   1.310  -3.996  -7.768
  148   2HG   ARG  20          2HG       ARG  20   2.166  -3.111  -6.531
  149   1HD   ARG  20          1HD       ARG  20   2.438  -5.457  -5.375
  150   2HD   ARG  20          2HD       ARG  20   2.216  -6.066  -7.023
  151    HE   ARG  20           HE       ARG  20   4.558  -4.955  -5.902
  152   1HH1  ARG  20          1HH1      ARG  20   2.763  -4.645  -8.963
  153   2HH1  ARG  20          2HH1      ARG  20   4.056  -3.782  -9.759
  154   1HH2  ARG  20          1HH2      ARG  20   6.285  -3.968  -7.029
  155   2HH2  ARG  20          2HH2      ARG  20   6.066  -3.459  -8.687
  156    H    GLN  21           H        GLN  21   0.462  -1.121  -4.985
  157    HA   GLN  21           HA       GLN  21   1.287   0.664  -7.158
  158   1HB   GLN  21          1HB       GLN  21   0.381   1.488  -5.074
  159   2HB   GLN  21          2HB       GLN  21   1.711   0.781  -4.142
  160   1HG   GLN  21          1HG       GLN  21   2.090   3.218  -4.543
  161   2HG   GLN  21          2HG       GLN  21   3.350   2.211  -5.249
  162   1HE2  GLN  21          2HE2      GLN  21   4.001   3.137  -7.161
  163   2HE2  GLN  21          1HE2      GLN  21   2.923   3.821  -8.359
  164    H    GLU  22           H        GLU  22   3.434   0.862  -7.785
  165    HA   GLU  22           HA       GLU  22   4.979  -1.420  -7.713
  166   1HB   GLU  22          1HB       GLU  22   5.235   1.489  -8.579
  167   2HB   GLU  22          2HB       GLU  22   6.553   0.381  -8.736
  168   1HG   GLU  22          1HG       GLU  22   3.779   0.003  -9.931
  169   2HG   GLU  22          2HG       GLU  22   5.216   0.506 -10.818
  170    H    GLY  23           H        GLY  23   5.632   1.735  -6.207
  171   1HA   GLY  23          1HA       GLY  23   7.667   0.528  -4.408
  172   2HA   GLY  23          2HA       GLY  23   7.363   2.238  -4.730
  173    H    CYS  24           H        CYS  24   7.187   2.767  -2.617
  174    HA   CYS  24           HA       CYS  24   5.206   1.542  -0.805
  175   1HB   CYS  24          1HB       CYS  24   7.572   2.139  -0.115
  176   2HB   CYS  24          2HB       CYS  24   7.145   3.827  -0.317
  177    H    TRP  25           H        TRP  25   3.167   2.206  -1.098
  178    HA   TRP  25           HA       TRP  25   2.456   4.670  -2.396
  179   1HB   TRP  25          1HB       TRP  25   0.171   3.908  -1.892
  180   2HB   TRP  25          2HB       TRP  25   1.143   2.655  -2.578
  181    HD1  TRP  25           HD1      TRP  25   1.099   0.445  -1.509
  182    HE1  TRP  25           HE1      TRP  25   0.233  -0.557   0.755
  183    HE3  TRP  25           HE3      TRP  25  -0.419   4.701   0.642
  184    HZ2  TRP  25           HZ2      TRP  25  -0.907   0.471   3.189
  185    HZ3  TRP  25           HZ3      TRP  25  -1.215   4.752   3.032
  186    HH2  TRP  25           HH2      TRP  25  -1.560   2.608   4.260
  187    H    ASN  26           H        ASN  26   2.985   3.683   0.899
  188    HA   ASN  26           HA       ASN  26   1.357   5.757   2.152
  189   1HB   ASN  26          1HB       ASN  26   1.501   3.795   3.417
  190   2HB   ASN  26          2HB       ASN  26   3.184   3.542   3.009
  191   1HD2  ASN  26          2HD2      ASN  26   4.598   3.861   4.665
  192   2HD2  ASN  26          1HD2      ASN  26   4.333   4.987   5.975
  193    H    CYS  27           H        CYS  27   4.864   5.075   1.981
  194    HA   CYS  27           HA       CYS  27   5.396   7.809   2.948
  195   1HB   CYS  27          1HB       CYS  27   7.138   7.049   3.963
  196   2HB   CYS  27          2HB       CYS  27   6.376   5.501   3.824
  197    H    GLY  28           H        GLY  28   5.389   6.118  -0.085
  198   1HA   GLY  28          1HA       GLY  28   5.540   7.176  -2.132
  199   2HA   GLY  28          2HA       GLY  28   6.204   8.616  -1.376
  200    H    SER  29           H        SER  29   7.837   5.611  -0.613
  201    HA   SER  29           HA       SER  29  10.219   6.406  -2.106
  202   1HB   SER  29          1HB       SER  29  10.415   5.478   0.147
  203   2HB   SER  29          2HB       SER  29   9.558   4.003  -0.364
  204    HG   SER  29           HG       SER  29  11.265   3.501  -1.689
  205    H    LYS  30           H        LYS  30  11.228   4.936  -3.592
  206    HA   LYS  30           HA       LYS  30   9.383   3.314  -5.272
  207   1HB   LYS  30          1HB       LYS  30  11.980   4.807  -5.829
  208   2HB   LYS  30          2HB       LYS  30  11.187   3.701  -6.951
  209   1HG   LYS  30          1HG       LYS  30   9.139   5.123  -6.929
  210   2HG   LYS  30          2HG       LYS  30   9.920   6.218  -5.779
  211   1HD   LYS  30          1HD       LYS  30  10.064   7.197  -7.957
  212   2HD   LYS  30          2HD       LYS  30  11.694   6.712  -7.459
  213   1HE   LYS  30          1HE       LYS  30  11.560   4.708  -8.907
  214   2HE   LYS  30          2HE       LYS  30   9.874   5.093  -9.312
  215   1HZ   LYS  30          1HZ       LYS  30  12.223   6.734  -9.950
  216   2HZ   LYS  30          2HZ       LYS  30  11.394   5.777 -11.003
  217   3HZ   LYS  30          3HZ       LYS  30  10.663   7.097 -10.342
  218    H    GLU  31           H        GLU  31  12.249   3.211  -3.247
  219    HA   GLU  31           HA       GLU  31  13.557   0.983  -4.419
  220   1HB   GLU  31          1HB       GLU  31  13.635   2.007  -1.537
  221   2HB   GLU  31          2HB       GLU  31  14.843   1.022  -2.355
  222   1HG   GLU  31          1HG       GLU  31  14.111   3.941  -2.882
  223   2HG   GLU  31          2HG       GLU  31  15.633   3.301  -2.279
  224    H    HIS  32           H        HIS  32  11.370   1.366  -1.707
  225    HA   HIS  32           HA       HIS  32  10.848  -1.591  -1.582
  226   1HB   HIS  32          1HB       HIS  32  10.632  -1.404   0.801
  227   2HB   HIS  32          2HB       HIS  32  12.190  -0.805   0.327
  228    HD1  HIS  32           HD1      HIS  32  12.481   1.947   0.579
  229    HD2  HIS  32           HD2      HIS  32   8.915   0.371   1.966
  230    HE1  HIS  32           HE1      HIS  32  11.261   3.746   1.862
  231    H    ARG  33           H        ARG  33   8.779  -1.933  -0.204
  232    HA   ARG  33           HA       ARG  33   6.625  -0.138  -1.148
  233   1HB   ARG  33          1HB       ARG  33   6.310  -3.060  -0.542
  234   2HB   ARG  33          2HB       ARG  33   5.251  -1.925  -1.312
  235   1HG   ARG  33          1HG       ARG  33   6.868  -1.659  -3.219
  236   2HG   ARG  33          2HG       ARG  33   7.802  -3.004  -2.546
  237   1HD   ARG  33          1HD       ARG  33   6.326  -3.785  -4.319
  238   2HD   ARG  33          2HD       ARG  33   5.840  -4.501  -2.786
  239    HE   ARG  33           HE       ARG  33   4.480  -2.332  -4.344
  240   1HH1  ARG  33          1HH2      ARG  33   4.257  -4.584  -1.578
  241   2HH1  ARG  33          2HH2      ARG  33   2.577  -4.220  -1.293
  242   1HH2  ARG  33          1HH1      ARG  33   2.332  -1.876  -3.918
  243   2HH2  ARG  33          2HH1      ARG  33   1.470  -2.661  -2.616
  244    H    PHE  34           H        PHE  34   4.604  -0.521   0.132
  245    HA   PHE  34           HA       PHE  34   5.057   0.503   2.753
  246   1HB   PHE  34          1HB       PHE  34   3.084   1.221   1.802
  247   2HB   PHE  34          2HB       PHE  34   2.630  -0.360   1.239
  248    HD1  PHE  34           HD1      PHE  34   1.348  -1.879   2.661
  249    HD2  PHE  34           HD2      PHE  34   3.062   1.702   4.343
  250    HE1  PHE  34           HE1      PHE  34   0.203  -2.320   4.816
  251    HE2  PHE  34           HE2      PHE  34   1.790   1.338   6.426
  252    HZ   PHE  34           HZ       PHE  34   0.354  -0.678   6.670
  253    H    ALA  35           H        ALA  35   4.352  -2.815   1.680
  254    HA   ALA  35           HA       ALA  35   3.944  -4.025   4.185
  255   1HB   ALA  35          1HB       ALA  35   3.586  -5.155   2.028
  256   2HB   ALA  35          2HB       ALA  35   5.336  -5.132   1.710
  257   3HB   ALA  35          3HB       ALA  35   4.687  -6.093   3.057
  258    H    GLN  36           H        GLN  36   6.955  -3.158   2.526
  259    HA   GLN  36           HA       GLN  36   8.729  -4.338   4.493
  260   1HB   GLN  36          1HB       GLN  36   9.172  -2.399   2.190
  261   2HB   GLN  36          2HB       GLN  36  10.444  -3.168   3.123
  262   1HG   GLN  36          1HG       GLN  36   9.668  -5.393   2.369
  263   2HG   GLN  36          2HG       GLN  36   8.347  -4.650   1.459
  264   1HE2  GLN  36          2HE2      GLN  36   8.720  -4.158  -0.668
  265   2HE2  GLN  36          1HE2      GLN  36  10.311  -4.016  -1.388
  266    H    CYS  37           H        CYS  37   7.380  -1.146   3.782
  267    HA   CYS  37           HA       CYS  37   9.169   0.423   5.239
  268   1HB   CYS  37          1HB       CYS  37   7.352   1.098   3.563
  269   2HB   CYS  37          2HB       CYS  37   6.216   1.044   4.869
  270    HA   PRO  38           HA       PRO  38   7.777  -0.469   9.478
  271   1HB   PRO  38          1HB       PRO  38   8.937   1.610  10.822
  272   2HB   PRO  38          2HB       PRO  38   9.865   0.255  10.123
  273   1HG   PRO  38          1HG       PRO  38   9.432   2.968   8.879
  274   2HG   PRO  38          2HG       PRO  38  10.976   2.098   9.110
  275   1HD   PRO  38          1HD       PRO  38   9.625   2.000   6.768
  276   2HD   PRO  38          2HD       PRO  38  10.461   0.548   7.383
  277    H    LYS  39           H        LYS  39   7.429   2.627   7.861
  278    HA   LYS  39           HA       LYS  39   5.169   3.567   9.507
  279   1HB   LYS  39          1HB       LYS  39   6.692   4.641   7.103
  280   2HB   LYS  39          2HB       LYS  39   5.251   5.424   7.747
  281   1HG   LYS  39          1HG       LYS  39   6.320   5.595   9.977
  282   2HG   LYS  39          2HG       LYS  39   7.809   4.908   9.329
  283   1HD   LYS  39          1HD       LYS  39   6.449   7.488   8.402
  284   2HD   LYS  39          2HD       LYS  39   7.826   7.409   9.504
  285   1HE   LYS  39          1HE       LYS  39   7.836   6.526   6.577
  286   2HE   LYS  39          2HE       LYS  39   8.536   8.006   7.237
  287   1HZ   LYS  39          1HZ       LYS  39  10.011   6.668   8.552
  288   2HZ   LYS  39          2HZ       LYS  39   9.389   5.283   7.910
  289   3HZ   LYS  39          3HZ       LYS  39  10.193   6.352   6.946