*HEADER    VIRUS/VIRAL PROTEIN                     27-JUL-04   1U57              
*TITLE     NMR STRUCTURE OF THE (345-392)GAG SEQUENCE FROM HIV-1                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GAG POLYPROTEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-48;                                             
*COMPND   5 SYNONYM: HIV-1                                                       
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;            
*SOURCE   3 ORGANISM_COMMON: VIRUSES;                                            
*SOURCE   4 STRAIN: LW12.3 ISOLATE                                               
*KEYWDS    GAG POLYPROTEIN, PARTICLE ASSEMBLY, P2, HIV-1, NMR                    
*EXPDTA    NMR, 19 STRUCTURES                                                    
*AUTHOR    N.MORELLET, S.DRUILLENNEC, C.LENOIR, S.BOUAZIZ, B.P.ROQUES            
*REVDAT   1   08-FEB-05 1U57    0                                                

Structure of the (211)CA-p2-(1-13)NCp7 peptide

NOE restraints

1:LEUN_1:HA 1:GLUN_2:HN 2.000 2.500 
1:LEUN_1:HB* 1:GLUN_2:HN 2.000 4.500 
1:GLUN_2:HN 1:GLUN_2:HA 2.000 3.000 
1:GLUN_2:HN 1:GLUN_2:HB1 2.000 2.500 
1:GLUN_2:HN 1:GLUN_2:HB2 2.000 3.500 
1:GLUN_2:HN 1:GLUN_2:HG1 2.000 4.500 
1:GLUN_2:HN 1:GLUN_2:HG2 2.000 4.500 
1:GLUN_2:HA 1:GLUN_3:HN 2.000 2.500 
1:GLUN_2:HN 1:GLUN_3:HN 2.000 4.500 
1:GLUN_3:HN 1:GLUN_3:HA 2.000 3.000 
1:GLUN_3:HN 1:GLUN_3:HB1 2.000 3.500 
1:GLUN_3:HN 1:GLUN_3:HB2 2.000 3.500 
1:GLUN_3:HN 1:GLUN_3:HG1 2.000 3.500 
1:GLUN_3:HN 1:GLUN_3:HG2 2.000 3.500 
1:GLUN_3:HA 1:MET_4:HN 2.000 2.500 
1:GLUN_3:HN 1:MET_4:HN 2.000 4.000 
1:GLUN_3:HG1 1:MET_4:HN 2.000 3.500 
1:GLUN_3:HG2 1:MET_4:HN 2.000 3.500 
1:GLUN_3:HA 1:THR_6:HN 2.000 3.500 
1:GLUN_3:HA 1:GLUN_3:HG1 2.000 3.500 
1:GLUN_3:HA 1:GLUN_3:HG2 2.000 3.500 
1:GLUN_3:HB1 1:MET_4:HN 2.000 4.500 
1:GLUN_3:HB2 1:MET_4:HN 2.000 4.500 
1:MET_4:HN 1:MET_4:HA 2.000 3.000 
1:MET_4:HN 1:MET_5:HN 2.000 3.000 
1:MET_4:HA 1:MET_5:HN 2.000 3.500 
1:MET_4:HA 1:MET_4:HG1 2.000 3.500 
1:MET_4:HA 1:MET_4:HG2 2.000 3.500 
1:MET_4:HN 1:MET_4:HB1 2.000 3.500 
1:MET_4:HN 1:MET_4:HB2 2.000 3.500 
1:MET_4:HA 1:ALA_7:HN 2.000 3.500 
1:MET_4:HA 1:ALA_7:HB* 2.000 4.500 
1:MET_5:HN 1:MET_5:HA 2.000 3.000 
1:MET_5:HA 1:THR_6:HN 2.000 3.500 
1:MET_5:HN 1:THR_6:HN 2.000 2.500 
1:MET_5:HN 1:MET_5:HB1 2.000 2.500 
1:MET_5:HN 1:MET_5:HB2 2.000 3.500 
1:MET_5:HN 1:MET_5:HG1 2.000 3.500 
1:MET_5:HN 1:MET_5:HG2 2.000 3.500 
1:MET_5:HA 1:MET_5:HB2 2.000 4.000 
1:MET_5:HA 1:MET_5:HG1 2.000 3.500 
1:MET_5:HA 1:MET_5:HG2 2.000 3.500 
1:MET_5:HA 1:ALA_7:HN 2.000 4.500 
1:MET_5:HA 1:CYSH_8:HN 2.000 4.000 
1:THR_6:HN 1:THR_6:HA 2.000 3.000 
1:THR_6:HN 1:THR_6:HB 2.000 3.000 
1:THR_6:HG2* 1:GLN_9:HE22 2.000 4.500 
1:THR_6:HA 1:THR_6:HG2* 2.000 3.500 
1:THR_6:HA 1:ALA_7:HN 2.000 3.500 
1:THR_6:HN 1:ALA_7:HN 2.000 2.500 
1:THR_6:HG2* 1:ALA_7:HN 2.000 4.500 
1:THR_6:HB 1:THR_6:HG2* 2.000 3.500 
1:ALA_7:HN 1:ALA_7:HA 2.000 3.000 
1:ALA_7:HB* 1:CYSH_8:HN 2.000 4.000 
1:ALA_7:HA 1:CYSH_8:HN 2.000 3.500 
1:ALA_7:HA 1:ALA_7:HB* 2.000 3.500 
1:ALA_7:HN 1:ALA_7:HB* 2.000 3.500 
1:CYSH_8:HN 1:CYSH_8:HB* 2.000 3.500 
1:CYSH_8:HN 1:CYSH_8:HA 2.000 3.000 
1:CYSH_8:HA 1:GLN_9:HN 2.000 2.500 
1:CYSH_8:HN 1:GLN_9:HN 2.000 3.500 
1:CYSH_8:HB* 1:GLN_9:HN 2.000 4.500 
1:CYSH_8:HA 1:CYSH_8:HB* 2.000 3.500 
1:GLN_9:HN 1:GLN_9:HA 2.000 3.000 
1:GLN_9:HN 1:GLN_9:HB1 2.000 2.500 
1:GLN_9:HN 1:GLN_9:HB2 2.000 3.500 
1:GLN_9:HN 1:GLN_9:HG* 2.000 4.500 
1:GLN_9:HA 1:GLY_10:HN 2.000 3.500 
1:GLN_9:HN 1:GLY_10:HN 2.000 4.500 
1:GLN_9:HA 1:GLN_9:HB1 2.000 3.500 
1:GLN_9:HA 1:GLN_9:HB2 2.000 3.500 
1:GLN_9:HA 1:GLN_9:HG* 2.000 4.500 
1:GLY_10:HN 1:GLY_10:HA* 2.000 3.500 
1:GLY_10:HA* 1:VAL_11:HN 2.000 3.500 
1:GLY_10:HN 1:VAL_11:HN 2.000 3.000 
1:VAL_11:HN 1:VAL_11:HA 2.000 3.000 
1:VAL_11:HN 1:VAL_11:HB 2.000 2.500 
1:VAL_11:HN 1:VAL_11:HG* 2.000 4.500 
1:VAL_11:HA 1:GLY_12:HN 2.000 3.500 
1:VAL_11:HB 1:GLY_12:HN 2.000 4.500 
1:VAL_11:HG* 1:GLY_12:HN 2.000 5.000 
1:VAL_11:HN 1:GLY_12:HN 2.000 2.500 
1:VAL_11:HA 1:VAL_11:HB 2.000 2.500 
1:VAL_11:HA 1:VAL_11:HG* 2.000 3.500 
1:GLY_12:HN 1:GLY_12:HA* 2.000 3.500 
1:GLY_12:HN 1:GLY_13:HN 2.000 3.000 
1:GLY_12:HA* 1:GLY_13:HN 2.000 3.500 
1:GLY_13:HN 1:GLY_13:HA1 2.000 3.500 
1:GLY_13:HN 1:GLY_13:HA2 2.000 3.500 
1:GLY_13:HA1 1:PRO_14:HD1 2.000 3.500 
1:GLY_13:HA1 1:PRO_14:HD2 2.000 3.500 
1:GLY_13:HA2 1:PRO_14:HD1 2.000 3.500 
1:GLY_13:HA2 1:PRO_14:HD2 2.000 3.500 
1:GLY_13:HA1 1:GLY_15:HN 2.000 5.000 
1:GLY_13:HA2 1:GLY_15:HN 2.000 4.500 
1:PRO_14:HA 1:GLY_15:HN 2.000 3.500 
1:PRO_14:HB1 1:GLY_15:HN 2.000 3.500 
1:PRO_14:HB2 1:GLY_15:HN 2.000 3.500 
1:PRO_14:HG1 1:GLY_15:HN 2.000 4.000 
1:PRO_14:HG2 1:GLY_15:HN 2.000 4.000 
1:PRO_14:HA 1:ALA_18:HN 2.000 4.500 
1:PRO_14:HA 1:LYS_17:HB1 2.000 3.500 
1:PRO_14:HA 1:LYS_17:HB2 2.000 3.500 
1:PRO_14:HA 1:LYS_17:HG* 2.000 5.500 
1:GLY_15:HN 1:GLY_15:HA* 2.000 3.500 
1:GLY_15:HN 1:HIS_16:HN 2.000 3.000 
1:GLY_15:HA* 1:HIS_16:HN 2.000 3.500 
1:GLY_15:HA* 1:ALA_18:HB* 2.000 4.500 
1:HIS_16:HN 1:HIS_16:HA 2.000 3.000 
1:HIS_16:HN 1:HIS_16:HB* 2.000 3.500 
1:HIS_16:HB* 1:LYS_17:HN 2.000 4.500 
1:HIS_16:HA 1:HIS_16:HB* 2.000 4.500 
1:HIS_16:HA 1:ARG_19:HN 2.000 2.500 
1:HIS_16:HA 1:VAL_20:HN 2.000 4.500 
1:HIS_16:HD2 1:VAL_20:HG1* 2.000 4.000 
1:HIS_16:HB* 1:VAL_20:HG1* 2.000 6.500 
1:HIS_16:HA 1:ARG_19:HB1 2.000 3.000 
1:HIS_16:HA 1:ARG_19:HB2 2.000 3.000 
1:HIS_16:HA 1:ARG_19:HG* 2.000 5.500 
1:LYS_17:HA 1:ALA_18:HN 2.000 3.500 
1:LYS_17:HA 1:LYS_17:HB1 2.000 2.500 
1:LYS_17:HA 1:LYS_17:HB2 2.000 3.000 
1:LYS_17:HA 1:LYS_17:HG* 2.000 4.500 
1:LYS_17:HN 1:ARG_19:HN 2.000 4.500 
1:LYS_17:HN 1:ALA_18:HN 2.000 2.500 
1:LYS_17:HA 1:VAL_20:HB 2.000 3.000 
1:LYS_17:HA 1:VAL_20:HG2* 2.000 5.500 
1:LYS_17:HA 1:ARG_19:HN 2.000 4.500 
1:LYS_17:HA 1:LEU_21:HN 2.000 4.500 
1:LYS_17:HE* 1:VAL_20:HG1* 2.000 5.500 
1:LYS_17:HA 1:VAL_20:HN 2.000 3.500 
1:ALA_18:HN 1:ALA_18:HB* 2.000 3.500 
1:ALA_18:HN 1:ALA_18:HA 2.000 3.000 
1:ALA_18:HA 1:ARG_19:HN 2.000 4.500 
1:ALA_18:HB* 1:ARG_19:HN 2.000 3.500 
1:ALA_18:HN 1:ARG_19:HN 2.000 2.500 
1:ALA_18:HA 1:ALA_18:HB* 2.000 3.500 
1:ALA_18:HA 1:LEU_21:HN 2.000 4.500 
1:ALA_18:HA 1:LEU_21:HB* 2.000 4.000 
1:ALA_18:HN 1:VAL_20:HN 2.000 4.500 
1:ARG_19:HN 1:ARG_19:HA 2.000 3.000 
1:ARG_19:HB1 1:VAL_20:HN 2.000 3.500 
1:ARG_19:HB2 1:VAL_20:HN 2.000 4.500 
1:ARG_19:HG* 1:VAL_20:HN 2.000 4.500 
1:ARG_19:HN 1:ARG_19:HB1 2.000 2.500 
1:ARG_19:HN 1:ARG_19:HB2 2.000 3.500 
1:ARG_19:HN 1:ARG_19:HG* 2.000 4.500 
1:ARG_19:HA 1:VAL_20:HN 2.000 3.500 
1:ARG_19:HN 1:VAL_20:HN 2.000 2.500 
1:ARG_19:HN 1:LEU_21:HN 2.000 4.500 
1:ARG_19:HA 1:LEU_21:HN 2.000 4.500 
1:ARG_19:HA 1:ALA_22:HB* 2.000 3.500 
1:VAL_20:HN 1:VAL_20:HA 2.000 3.000 
1:VAL_20:HN 1:VAL_20:HB 2.000 2.500 
1:VAL_20:HN 1:VAL_20:HG1* 2.000 3.500 
1:VAL_20:HN 1:VAL_20:HG2* 2.000 4.500 
1:VAL_20:HN 1:LEU_21:HN 2.000 2.500 
1:VAL_20:HA 1:LEU_21:HN 2.000 3.500 
1:VAL_20:HA 1:VAL_20:HB 2.000 3.000 
1:VAL_20:HA 1:VAL_20:HG1* 2.000 4.000 
1:VAL_20:HA 1:VAL_20:HG2* 2.000 3.500 
1:VAL_20:HA 1:ALA_24:HN 2.000 4.500 
1:VAL_20:HG2* 1:ALA_24:HB* 2.000 6.500 
1:VAL_20:HA 1:GLUN_23:HN 2.000 3.500 
1:VAL_20:HN 1:ALA_22:HN 2.000 4.500 
1:VAL_20:HG1* 1:ALA_24:HN 2.000 7.000 
1:VAL_20:HG2* 1:ALA_24:HN 2.000 7.000 
1:VAL_20:HA 1:GLUN_23:HB1 2.000 3.000 
1:VAL_20:HA 1:GLUN_23:HB2 2.000 3.000 
1:VAL_20:HA 1:GLUN_23:HG* 2.000 5.500 
1:LEU_21:HN 1:LEU_21:HA 2.000 3.000 
1:LEU_21:HN 1:LEU_21:HB* 2.000 3.500 
1:LEU_21:HN 1:LEU_21:HG 2.000 4.500 
1:LEU_21:HN 1:LEU_21:HD1* 2.000 5.500 
1:LEU_21:HN 1:LEU_21:HD2* 2.000 5.000 
1:LEU_21:HD1* 1:MET_25:HG1 2.000 4.500 
1:LEU_21:HD2* 1:MET_25:HG1 2.000 4.500 
1:LEU_21:HD1* 1:MET_25:HG2 2.000 4.500 
1:LEU_21:HD2* 1:MET_25:HG2 2.000 4.500 
1:LEU_21:HA 1:ALA_22:HN 2.000 4.500 
1:LEU_21:HB* 1:ALA_22:HN 2.000 4.000 
1:LEU_21:HG 1:ALA_22:HN 2.000 3.500 
1:LEU_21:HD1* 1:ALA_22:HN 2.000 5.500 
1:LEU_21:HD2* 1:ALA_22:HN 2.000 5.500 
1:LEU_21:HG 1:MET_25:HB1 2.000 4.500 
1:LEU_21:HG 1:MET_25:HB2 2.000 4.500 
1:LEU_21:HA 1:ALA_24:HB* 2.000 3.500 
1:ALA_22:HN 1:ALA_22:HB* 2.000 3.500 
1:ALA_22:HN 1:ALA_22:HA 2.000 3.000 
1:ALA_22:HA 1:ALA_22:HB* 2.000 3.500 
1:ALA_22:HA 1:GLUN_23:HN 2.000 4.500 
1:ALA_22:HA 1:MET_25:HN 2.000 3.500 
1:ALA_22:HA 1:MET_25:HG1 2.000 4.500 
1:ALA_22:HA 1:MET_25:HG2 2.000 4.500 
1:GLUN_23:HN 1:GLUN_23:HA 2.000 4.500 
1:GLUN_23:HN 1:GLUN_23:HB1 2.000 3.500 
1:GLUN_23:HN 1:GLUN_23:HB2 2.000 3.500  
1:GLUN_23:HN 1:GLUN_23:HG* 2.000 5.500 
1:GLUN_23:HG* 1:ALA_24:HN 2.000 5.500 
1:GLUN_23:HB1 1:ALA_24:HN 2.000 3.500 
1:GLUN_23:HB2 1:ALA_24:HN 2.000 3.500  
1:GLUN_23:HA 1:ALA_24:HN 2.000 4.500 
1:GLUN_23:HN 1:ALA_24:HN 2.000 2.500 
1:GLUN_23:HA 1:MET_25:HN 2.000 4.500 
1:GLUN_23:HA 1:GLUN_23:HB1 2.000 3.000 
1:GLUN_23:HA 1:GLUN_23:HB2 2.000 3.000 
1:GLUN_23:HA 1:GLUN_23:HG* 2.000 4.000 
1:GLUN_23:HA 1:GLN_27:HN 2.000 4.500 
1:ALA_24:HN 1:ALA_24:HA 2.000 3.000 
1:ALA_24:HN 1:ALA_24:HB* 2.000 3.500 
1:ALA_24:HB* 1:MET_25:HN 2.000 4.000 
1:ALA_24:HA 1:MET_25:HN 2.000 3.500 
1:ALA_24:HA 1:ALA_24:HB* 2.000 3.500 
1:ALA_24:HN 1:MET_25:HN 2.000 2.500 
1:ALA_24:HA 1:GLN_27:HN 2.000 3.500 
1:ALA_24:HA 1:GLN_27:HG* 2.000 5.000 
1:ALA_24:HA 1:GLN_27:HB1 2.000 3.000 
1:ALA_24:HA 1:GLN_27:HB2 2.000 3.000 
1:ALA_24:HA 1:VAL_28:HN 2.000 4.500 
1:ALA_24:HB* 1:VAL_28:HG1* 2.000 4.500 
1:ALA_24:HA 1:VAL_28:HG1* 2.000 4.500 
1:MET_25:HN 1:MET_25:HA 2.000 3.000 
1:MET_25:HN 1:MET_25:HB1 2.000 3.500 
1:MET_25:HN 1:MET_25:HB2 2.000 3.000 
1:MET_25:HN 1:MET_25:HG1 2.000 3.500 
1:MET_25:HN 1:MET_25:HG2 2.000 3.500 
1:MET_25:HN 1:SER_26:HN 2.000 2.500 
1:MET_25:HA 1:SER_26:HN 2.000 4.500 
1:MET_25:HN 1:GLN_27:HN 2.000 4.500 
1:MET_25:HA 1:VAL_28:HN 2.000 3.500 
1:MET_25:HA 1:VAL_28:HB 2.000 3.000 
1:MET_25:HB1 1:THR_29:HG2* 2.000 5.500 
1:SER_26:HN 1:SER_26:HA 2.000 3.000 
1:SER_26:HN 1:SER_26:HB* 2.000 3.500 
1:SER_26:HB* 1:GLN_27:HN 2.000 4.500 
1:SER_26:HA 1:GLN_27:HN 2.000 3.500 
1:SER_26:HA 1:SER_26:HB* 2.000 3.500 
1:SER_26:HA 1:ASN_30:HN 2.000 4.500 
1:SER_26:HA 1:THR_29:HG2* 2.000 5.500 
1:GLN_27:HN 1:GLN_27:HA 2.000 3.000 
1:GLN_27:HN 1:GLN_27:HB1 2.000 2.500 
1:GLN_27:HN 1:GLN_27:HB2 2.000 3.000 
1:GLN_27:HN 1:GLN_27:HG* 2.000 4.500 
1:GLN_27:HA 1:GLN_27:HG* 2.000 4.500 
1:GLN_27:HN 1:VAL_28:HN 2.000 2.500 
1:GLN_27:HA 1:VAL_28:HN 2.000 4.500 
1:GLN_27:HB1 1:VAL_28:HN 2.000 4.500 
1:GLN_27:HB2 1:VAL_28:HN 2.000 4.500 
1:GLN_27:HG* 1:VAL_28:HN 2.000 5.500 
1:GLN_27:HA 1:ASN_30:HN 2.000 3.500 
1:GLN_27:HA 1:ASN_30:HB1 2.000 3.000 
1:GLN_27:HA 1:ASN_30:HB2 2.000 3.000 
1:VAL_28:HN 1:VAL_28:HA 2.000 3.000 
1:VAL_28:HN 1:VAL_28:HB 2.000 2.500 
1:VAL_28:HN 1:VAL_28:HG1* 2.000 4.500 
1:VAL_28:HN 1:VAL_28:HG2* 2.000 4.500 
1:VAL_28:HN 1:THR_29:HN 2.000 2.500 
1:VAL_28:HB 1:THR_29:HN 2.000 3.000 
1:VAL_28:HG1* 1:THR_29:HN 2.000 4.500 
1:VAL_28:HG2* 1:THR_29:HN 2.000 4.500 
1:VAL_28:HA 1:THR_29:HN 2.000 4.500 
1:VAL_28:HA 1:VAL_28:HB 2.000 3.000 
1:VAL_28:HA 1:VAL_28:HG1* 2.000 4.000 
1:VAL_28:HA 1:VAL_28:HG2* 2.000 3.500 
1:VAL_28:HA 1:ASN_30:HN 2.000 4.500 
1:VAL_28:HA 1:SER_31:HN 2.000 4.500 
1:VAL_28:HA 1:ALA_32:HN 2.000 4.500 
1:VAL_28:HG2* 1:ALA_32:HB* 2.000 6.500 
1:VAL_28:HA 1:SER_31:HB* 2.000 3.500 
1:THR_29:HN 1:THR_29:HA 2.000 3.000 
1:THR_29:HN 1:THR_29:HB 2.000 2.500 
1:THR_29:HN 1:THR_29:HG2* 2.000 3.500 
1:THR_29:HN 1:ASN_30:HN 2.000 3.000 
1:THR_29:HA 1:ASN_30:HN 2.000 3.500 
1:THR_29:HB 1:ASN_30:HN 2.000 3.500 
1:THR_29:HG2* 1:ASN_30:HN 2.000 5.500 
1:THR_29:HA 1:THR_29:HG2* 2.000 3.500 
1:THR_29:HB 1:THR_29:HG2* 2.000 3.500 
1:THR_29:HA 1:ALA_32:HN 2.000 3.500 
1:THR_29:HA 1:ALA_32:HB* 2.000 3.500 
1:THR_29:HA 1:THR_33:HN 2.000 4.500 
1:ASN_30:HN 1:ASN_30:HA 2.000 3.000 
1:ASN_30:HN 1:ASN_30:HB1 2.000 3.000 
1:ASN_30:HN 1:ASN_30:HB2 2.000 2.500 
1:ASN_30:HN 1:SER_31:HN 2.000 2.500 
1:ASN_30:HA 1:SER_31:HN 2.000 3.500 
1:ASN_30:HB1 1:SER_31:HN 2.000 4.000 
1:ASN_30:HB2 1:SER_31:HN 2.000 3.500 
1:ASN_30:HA 1:ASN_30:HB1 2.000 3.500 
1:ASN_30:HA 1:ASN_30:HB2 2.000 3.500 
1:ASN_30:HA 1:ALA_32:HN 2.000 4.500 
1:ASN_30:HA 1:THR_33:HN 2.000 3.500 
1:ASN_30:HA 1:ILE_34:HN 2.000 4.500 
1:ASN_30:HN 1:THR_33:HN 2.000 4.500 
1:ASN_30:HD21 1:ILE_34:HD1* 2.000 5.500 
1:ASN_30:HD22 1:ILE_34:HD1* 2.000 5.500 
1:ASN_30:HA 1:THR_33:HB 2.000 2.500 
1:ASN_30:HA 1:THR_33:HG2* 2.000 5.500 
1:ASN_30:HB1 1:THR_33:HG2* 2.000 5.500 
1:ASN_30:HB2 1:THR_33:HG2* 2.000 5.500 
1:SER_31:HN 1:SER_31:HA 2.000 3.000 
1:SER_31:HN 1:SER_31:HB* 2.000 3.500 
1:SER_31:HA 1:ALA_32:HN 2.000 4.500 
1:SER_31:HB* 1:ALA_32:HN 2.000 4.000 
1:SER_31:HN 1:ALA_32:HN 2.000 2.500 
1:SER_31:HA 1:SER_31:HB* 2.000 3.500 
1:SER_31:HA 1:ILE_34:HN 2.000 3.500 
1:SER_31:HA 1:ILE_34:HG1* 2.000 5.500 
1:SER_31:HA 1:ILE_34:HB 2.000 3.000 
1:ALA_32:HN 1:THR_33:HN 2.000 2.500 
1:ALA_32:HN 1:ALA_32:HB* 2.000 3.500 
1:ALA_32:HN 1:ALA_32:HA 2.000 3.000 
1:ALA_32:HA 1:THR_33:HN 2.000 4.500 
1:ALA_32:HB* 1:THR_33:HN 2.000 4.000 
1:ALA_32:HA 1:ALA_32:HB* 2.000 3.500 
1:ALA_32:HN 1:ILE_34:HN 2.000 4.500 
1:ALA_32:HA 1:MET_36:HN 2.000 4.500 
1:ALA_32:HA 1:MET_35:HG1 2.000 3.500 
1:ALA_32:HA 1:MET_35:HG2 2.000 3.500 
1:ALA_32:HB* 1:MET_35:HG1 2.000 4.500 
1:ALA_32:HA 1:MET_35:HB* 2.000 3.500 
1:ALA_32:HB* 1:MET_35:HG2 2.000 4.500 
1:THR_33:HN 1:THR_33:HA 2.000 3.000 
1:THR_33:HN 1:THR_33:HB 2.000 3.000 
1:THR_33:HN 1:THR_33:HG2* 2.000 4.000 
1:THR_33:HN 1:ILE_34:HN 2.000 2.500 
1:THR_33:HA 1:ILE_34:HN 2.000 3.500 
1:THR_33:HB 1:ILE_34:HN 2.000 3.500 
1:THR_33:HG2* 1:ILE_34:HN 2.000 4.500 
1:THR_33:HA 1:THR_33:HG2* 2.000 4.000 
1:THR_33:HB 1:THR_33:HG2* 2.000 4.000  
1:THR_33:HG2* 1:GLN_37:HE22 2.000 4.500 
1:THR_33:HG2* 1:GLN_37:HE21 2.000 4.500 
1:THR_33:HA 1:MET_36:HB* 2.000 3.500 
1:THR_33:HA 1:MET_36:HG1 2.000 3.500 
1:THR_33:HA 1:MET_36:HG2 2.000 3.500 
1:THR_33:HG2* 1:GLN_37:HG* 2.000 6.500 
1:THR_33:HA 1:MET_36:HN 2.000 3.500 
1:ILE_34:HN 1:ILE_34:HA 2.000 3.500 
1:ILE_34:HN 1:ILE_34:HB 2.000 3.000 
1:ILE_34:HN 1:ILE_34:HG2* 2.000 4.500 
1:ILE_34:HN 1:ILE_34:HD1* 2.000 4.500 
1:ILE_34:HN 1:ILE_34:HG1* 2.000 4.500 
1:ILE_34:HA 1:ILE_34:HB 2.000 3.000 
1:ILE_34:HG1* 1:MET_35:HN 2.000 5.500 
1:ILE_34:HB 1:MET_35:HN 2.000 3.500 
1:ILE_34:HA 1:MET_35:HN 2.000 4.500 
1:ILE_34:HN 1:MET_35:HN 2.000 2.500 
1:ILE_34:HN 1:MET_36:HN 2.000 4.500 
1:ILE_34:HG2* 1:ARG_38:NH1 2.000 3.000 
1:ILE_34:HD1* 1:ARG_38:NH1 2.000 4.500 
1:ILE_34:HD1* 1:ARG_38:HD* 2.000 6.500 
1:ILE_34:HG1* 1:ARG_38:HD* 2.000 6.500 
1:ILE_34:HA 1:GLN_37:HG* 2.000 4.500 
1:ILE_34:HA 1:GLN_37:HB1 2.000 3.500 
1:ILE_34:HA 1:GLN_37:HB2 2.000 3.500 
1:MET_35:HN 1:MET_35:HA 2.000 3.000 
1:MET_35:HN 1:MET_35:HB* 2.000 4.500 
1:MET_35:HN 1:MET_35:HG1 2.000 3.500 
1:MET_35:HN 1:MET_35:HG2 2.000 3.500 
1:MET_35:HA 1:MET_35:HG1 2.000 3.500 
1:MET_35:HA 1:MET_35:HG2 2.000 3.500 
1:MET_35:HA 1:MET_36:HN 2.000 4.500 
1:MET_35:HN 1:MET_36:HN 2.000 2.500 
1:MET_35:HA 1:ARG_38:HB1 2.000 3.000
1:MET_35:HA 1:ARG_38:HB2 2.000 3.000 
1:MET_36:HN 1:MET_36:HA 2.000 3.000 
1:MET_36:HN 1:MET_36:HB* 2.000 5.500 
1:MET_36:HN 1:GLN_37:HN 2.000 2.500 
1:MET_36:HA 1:GLN_37:HN 2.000 3.500 
1:MET_36:HN 1:MET_36:HG1 2.000 3.500 
1:MET_36:HN 1:MET_36:HG2 2.000 3.500 
1:MET_36:HG1 1:GLN_37:HN 2.000 4.500 
1:MET_36:HG2 1:GLN_37:HN 2.000 4.500 
1:GLN_37:HN 1:GLN_37:HA 2.000 3.000 
1:GLN_37:HN 1:GLN_37:HB1 2.000 3.500 
1:GLN_37:HN 1:GLN_37:HB2 2.000 2.500 
1:GLN_37:HN 1:GLN_37:HG* 2.000 4.000 
1:GLN_37:HA 1:GLN_37:HG* 2.000 4.500 
1:GLN_37:HG* 1:ARG_38:HN 2.000 4.000 
1:GLN_37:HA 1:ASN_40:HN 2.000 3.500 
1:ARG_38:HA 1:ARG_38:HB1 2.000 3.000 
1:ARG_38:HA 1:ARG_38:HB2 2.000 3.000 
1:ARG_38:HA 1:ARG_38:HG* 2.000 4.500 
1:ARG_38:HN 1:ARG_38:HA 2.000 4.500 
1:ARG_38:HN 1:ARG_38:HB1 2.000 3.500 
1:ARG_38:HN 1:ARG_38:HB2 2.000 3.000 
1:ARG_38:HN 1:ARG_38:HG* 2.000 4.500 
1:GLY_39:HN 1:ARG_38:HB1 2.000 4.500 
1:GLY_39:HN 1:ARG_38:HB2 2.000 4.000 
1:ARG_38:HA 1:GLY_39:HN 2.000 2.500 
1:GLY_39:HN 1:GLY_39:HA* 2.000 3.500 
1:GLY_39:HA* 1:ASN_40:HN 2.000 4.000 
1:GLY_39:HN 1:ASN_40:HN 2.000 3.000 
1:ASN_40:HN 1:ASN_40:HA 2.000 3.500 
1:ASN_40:HN 1:ASN_40:HB* 2.000 4.000 
1:ASN_40:HB* 1:PHE_41:HN 2.000 4.500 
1:ASN_40:HA 1:ASN_40:HB* 2.000 4.500 
1:ASN_40:HA 1:GLN_44:HG1 2.000 4.500 
1:ASN_40:HA 1:GLN_44:HG2 2.000 4.500 
1:PHE_41:HN 1:PHE_41:HA 2.000 4.500 
1:PHE_41:HN 1:PHE_41:HB1 2.000 3.500 
1:PHE_41:HN 1:PHE_41:HB2 2.000 3.500 
1:PHE_41:HB1 1:ARG_42:HN 2.000 3.500 
1:PHE_41:HB2 1:ARG_42:HN 2.000 3.500 
1:PHE_41:HA 1:PHE_41:HD* 2.000 5.500 
1:PHE_41:HA 1:PHE_41:HB1 2.000 3.500 
1:PHE_41:HA 1:PHE_41:HB2 2.000 3.500 
1:PHE_41:HA 1:ARG_42:HN 2.000 4.500 
1:PHE_41:HA 1:GLN_44:HG1 2.000 3.500 
1:PHE_41:HA 1:GLN_44:HG2 2.000 4.500 
1:ARG_42:HN 1:ARG_42:HA 2.000 3.000 
1:ARG_42:HN 1:ARG_42:HB1 2.000 3.000 
1:ARG_42:HN 1:ARG_42:HB2 2.000 2.500 
1:ARG_42:HN 1:ARG_42:HG* 2.000 4.500 
1:ARG_42:HA 1:ASN_43:HN 2.000 3.500 
1:ARG_42:HB1 1:ASN_43:HN 2.000 3.500  
1:ARG_42:HB2 1:ASN_43:HN 2.000 3.500 
1:ARG_42:HA 1:ARG_42:HB1 2.000 3.000 
1:ARG_42:HA 1:ARG_42:HB2 2.000 3.000 
1:ARG_42:HA 1:ARG_42:HG* 2.000 4.000  
1:ASN_43:HN 1:GLN_44:HN 2.000 2.500 
1:ASN_43:HN 1:ASN_43:HA 2.000 3.000 
1:ASN_43:HN 1:ASN_43:HB1 2.000 2.500 
1:ASN_43:HN 1:ASN_43:HB2 2.000 2.500 
1:ASN_43:HA 1:GLN_44:HN 2.000 3.500 
1:ASN_43:HB1 1:GLN_44:HN 2.000 4.500 
1:ASN_43:HB2 1:GLN_44:HN 2.000 4.500 
1:ASN_43:HA 1:ASN_43:HB1 2.000 4.500 
1:ASN_43:HA 1:ASN_43:HB2 2.000 4.500 
1:GLN_44:HN 1:GLN_44:HA 2.000 2.500 
1:GLN_44:HN 1:GLN_44:HB1 2.000 3.500 
1:GLN_44:HN 1:GLN_44:HB2 2.000 3.500 
1:GLN_44:HN 1:GLN_44:HG1 2.000 3.000 
1:GLN_44:HN 1:GLN_44:HG2 2.000 3.000 
1:GLN_44:HA 1:GLN_44:HG1 2.000 3.500 
1:GLN_44:HA 1:GLN_44:HG2 2.000 3.500 
1:GLN_44:HA 1:ARG_45:HN 2.000 4.500 
1:GLN_44:HN 1:ARG_45:HN 2.000 4.500 
1:GLN_44:HG1 1:ARG_45:HN 2.000 4.500 
1:GLN_44:HG2 1:ARG_45:HN 2.000 4.500 
1:ARG_45:HN 1:ARG_45:HA 2.000 2.500 
1:ARG_45:HN 1:ARG_45:HB* 2.000 4.000 
1:ARG_45:HN 1:ARG_45:HG* 2.000 4.500 
1:ARG_45:HA 1:ARG_45:HG* 2.000 3.500 
1:ARG_45:HN 1:LYS_46:HN 2.000 3.000 
1:LYS_46:HN 1:LYS_46:HA 2.000 3.000 
1:LYS_46:HN 1:LYS_46:HB1 2.000 2.500 
1:LYS_46:HN 1:LYS_46:HB2 2.000 2.500 
1:LYS_46:HN 1:LYS_46:HG1 2.000 4.500 
1:LYS_46:HN 1:LYS_46:HG2 2.000 4.500 
1:LYS_46:HA 1:LYS_46:HB1 2.000 3.000 
1:LYS_46:HA 1:LYS_46:HB2 2.000 3.500 
1:LYS_46:HA 1:LYS_46:HG1 2.000 4.500 
1:LYS_46:HA 1:LYS_46:HG2 2.000 4.500 
1:LYS_46:HB1 1:ILE_47:HN 2.000 4.500 
1:LYS_46:HB2 1:ILE_47:HN 2.000 4.500 
1:LYS_46:HA 1:ILE_47:HN 2.000 2.500 
1:LYS_46:HN 1:ILE_47:HN 2.000 3.000 
1:ILE_47:HN 1:ILE_47:HA 2.000 3.000 
1:ILE_47:HN 1:ILE_47:HG1* 2.000 4.500 
1:VALC_48:HN 1:VALC_48:HA 2.000 3.000 
1:VALC_48:HN 1:VALC_48:HG* 2.000 5.500 
1:VALC_48:HN 1:VALC_48:HB 2.000 4.000 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LEU   1          1H        LEU   1 -33.638   5.622   3.982
    2   2H    LEU   1          2H        LEU   1 -33.668   4.169   3.137
    3    HA   LEU   1           HA       LEU   1 -31.955   4.849   5.418
    4   1HB   LEU   1          1HB       LEU   1 -32.590   2.471   5.421
    5   2HB   LEU   1          2HB       LEU   1 -32.108   2.324   3.727
    6    HG   LEU   1           HG       LEU   1 -29.735   2.791   4.365
    7   1HD1  LEU   1          1HD2      LEU   1 -30.837   2.718   7.214
    8   2HD1  LEU   1          2HD2      LEU   1 -29.119   2.641   6.780
    9   3HD1  LEU   1          3HD2      LEU   1 -30.045   4.104   6.433
   10   1HD2  LEU   1          1HD1      LEU   1 -30.577   0.489   4.172
   11   2HD2  LEU   1          2HD1      LEU   1 -29.334   0.623   5.428
   12   3HD2  LEU   1          3HD1      LEU   1 -31.047   0.508   5.886
   13    H    GLU   2           H        GLU   2 -29.966   5.708   4.901
   14    HA   GLU   2           HA       GLU   2 -29.361   6.509   2.177
   15   1HB   GLU   2          1HB       GLU   2 -27.808   6.726   4.807
   16   2HB   GLU   2          2HB       GLU   2 -27.350   7.433   3.261
   17   1HG   GLU   2          1HG       GLU   2 -28.333   9.193   4.461
   18   2HG   GLU   2          2HG       GLU   2 -29.517   8.720   3.238
   19    HE2  GLU   2           HE2      GLU   2 -31.681   9.060   5.987
   20    H    GLU   3           H        GLU   3 -29.516   4.152   1.524
   21    HA   GLU   3           HA       GLU   3 -27.493   2.379   2.301
   22   1HB   GLU   3          1HB       GLU   3 -28.585   0.828   0.717
   23   2HB   GLU   3          2HB       GLU   3 -29.835   1.763   1.562
   24   1HG   GLU   3          1HG       GLU   3 -29.763   3.434  -0.301
   25   2HG   GLU   3          2HG       GLU   3 -28.570   2.459  -1.117
   26    HE2  GLU   3           HE2      GLU   3 -32.456   1.187  -0.967
   27    H    MET   4           H        MET   4 -26.700   4.699   0.968
   28    HA   MET   4           HA       MET   4 -25.051   4.020  -1.339
   29   1HB   MET   4          1HB       MET   4 -25.769   6.347  -0.888
   30   2HB   MET   4          2HB       MET   4 -24.800   6.368   0.597
   31   1HG   MET   4          1HG       MET   4 -22.744   6.026  -0.736
   32   2HG   MET   4          2HG       MET   4 -23.711   5.922  -2.215
   33   1HE   MET   4          1HE       MET   4 -22.117   7.675  -3.349
   34   2HE   MET   4          2HE       MET   4 -21.729   9.261  -2.644
   35   3HE   MET   4          3HE       MET   4 -21.160   7.774  -1.850
   36    H    MET   5           H        MET   5 -24.520   4.396   2.151
   37    HA   MET   5           HA       MET   5 -21.781   3.596   2.227
   38   1HB   MET   5          1HB       MET   5 -21.982   3.707   4.539
   39   2HB   MET   5          2HB       MET   5 -22.962   5.025   3.877
   40   1HG   MET   5          1HG       MET   5 -24.915   3.402   3.979
   41   2HG   MET   5          2HG       MET   5 -23.853   2.342   4.910
   42   1HE   MET   5          1HE       MET   5 -25.893   2.282   6.680
   43   2HE   MET   5          2HE       MET   5 -26.544   3.734   7.476
   44   3HE   MET   5          3HE       MET   5 -26.812   3.480   5.737
   45    H    THR   6           H        THR   6 -24.837   1.885   2.227
   46    HA   THR   6           HA       THR   6 -23.779  -0.648   3.131
   47    HB   THR   6           HB       THR   6 -26.372  -0.089   1.651
   48    HG1  THR   6           HG1      THR   6 -26.123   1.130   3.593
   49   1HG2  THR   6          1HG2      THR   6 -27.127  -2.132   2.834
   50   2HG2  THR   6          2HG2      THR   6 -25.776  -2.489   1.744
   51   3HG2  THR   6          3HG2      THR   6 -25.495  -2.357   3.495
   52    H    ALA   7           H        ALA   7 -24.552   0.823   0.001
   53    HA   ALA   7           HA       ALA   7 -23.828  -1.418  -1.632
   54   1HB   ALA   7          1HB       ALA   7 -25.292   0.380  -2.430
   55   2HB   ALA   7          2HB       ALA   7 -23.966   1.553  -2.290
   56   3HB   ALA   7          3HB       ALA   7 -23.861   0.228  -3.469
   57    H    CYS   8           H        CYS   8 -22.107   1.541  -0.684
   58    HA   CYS   8           HA       CYS   8 -19.650   0.727  -2.047
   59   1HB   CYS   8          1HB       CYS   8 -20.272   3.194  -0.370
   60   2HB   CYS   8          2HB       CYS   8 -18.813   2.931  -1.347
   61    HG   CYS   8           HG       CYS   8 -21.951   3.037  -2.327
   62    H    GLN   9           H        GLN   9 -20.039  -1.209  -0.448
   63    HA   GLN   9           HA       GLN   9 -18.116  -0.924   1.811
   64   1HB   GLN   9          1HB       GLN   9 -20.793  -1.159   2.027
   65   2HB   GLN   9          2HB       GLN   9 -20.408  -2.873   1.922
   66   1HG   GLN   9          1HG       GLN   9 -18.830  -2.647   3.830
   67   2HG   GLN   9          2HG       GLN   9 -19.168  -0.908   3.915
   68   1HE2  GLN   9          2HE2      GLN   9 -21.620  -0.353   4.082
   69   2HE2  GLN   9          1HE2      GLN   9 -22.532  -1.331   5.218
   70    H    GLY  10           H        GLY  10 -18.727  -2.491  -1.155
   71   1HA   GLY  10          1HA       GLY  10 -16.866  -4.078  -1.742
   72   2HA   GLY  10          2HA       GLY  10 -17.430  -5.059  -0.376
   73    H    VAL  11           H        VAL  11 -20.298  -4.336  -0.830
   74    HA   VAL  11           HA       VAL  11 -20.890  -6.565  -2.523
   75    HB   VAL  11           HB       VAL  11 -22.010  -6.131  -0.443
   76   1HG1  VAL  11          1HG2      VAL  11 -22.227  -3.670  -0.745
   77   2HG1  VAL  11          2HG2      VAL  11 -23.484  -3.979  -1.977
   78   3HG1  VAL  11          3HG2      VAL  11 -23.738  -4.499  -0.290
   79   1HG2  VAL  11          1HG1      VAL  11 -22.985  -7.633  -2.150
   80   2HG2  VAL  11          2HG1      VAL  11 -24.241  -6.778  -1.239
   81   3HG2  VAL  11          3HG1      VAL  11 -23.837  -6.259  -2.886
   82    H    GLY  12           H        GLY  12 -21.291  -3.072  -2.799
   83   1HA   GLY  12          1HA       GLY  12 -22.097  -3.317  -5.686
   84   2HA   GLY  12          2HA       GLY  12 -22.450  -1.949  -4.622
   85    H    GLY  13           H        GLY  13 -20.688  -0.631  -3.866
   86   1HA   GLY  13          1HA       GLY  13 -18.372  -0.444  -5.735
   87   2HA   GLY  13          2HA       GLY  13 -18.928   0.788  -4.594
   88    HA   PRO  14           HA       PRO  14 -15.580  -1.959  -2.573
   89   1HB   PRO  14          1HB       PRO  14 -13.438  -0.229  -2.836
   90   2HB   PRO  14          2HB       PRO  14 -13.809  -1.577  -3.919
   91   1HG   PRO  14          1HG       PRO  14 -14.325   1.343  -4.401
   92   2HG   PRO  14          2HG       PRO  14 -13.812   0.083  -5.540
   93   1HD   PRO  14          1HD       PRO  14 -16.419   0.982  -5.287
   94   2HD   PRO  14          2HD       PRO  14 -15.993  -0.656  -5.858
   95    H    GLY  15           H        GLY  15 -14.957   1.474  -2.535
   96   1HA   GLY  15          1HA       GLY  15 -15.431   3.293  -1.297
   97   2HA   GLY  15          2HA       GLY  15 -16.695   2.386  -0.461
   98    H    HIS  16           H        HIS  16 -15.176   0.397   0.487
   99    HA   HIS  16           HA       HIS  16 -13.265   1.523   2.486
  100   1HB   HIS  16          1HB       HIS  16 -15.497   1.000   3.572
  101   2HB   HIS  16          2HB       HIS  16 -15.366  -0.661   2.983
  102    HD1  HIS  16           HD1      HIS  16 -14.270   1.607   5.740
  103    HD2  HIS  16           HD2      HIS  16 -13.268  -2.197   4.203
  104    HE1  HIS  16           HE1      HIS  16 -12.817   0.437   7.489
  105    HE2  HIS  16           HE2      HIS  16 -12.189  -1.882   6.583
  106    H    LYS  17           H        LYS  17 -14.303  -1.154   0.398
  107    HA   LYS  17           HA       LYS  17 -11.952  -2.771   0.852
  108   1HB   LYS  17          1HB       LYS  17 -13.855  -2.465  -1.467
  109   2HB   LYS  17          2HB       LYS  17 -12.632  -3.697  -1.407
  110   1HG   LYS  17          1HG       LYS  17 -15.031  -3.382   0.440
  111   2HG   LYS  17          2HG       LYS  17 -14.696  -4.691  -0.705
  112   1HD   LYS  17          1HD       LYS  17 -12.612  -5.217   0.689
  113   2HD   LYS  17          2HD       LYS  17 -13.257  -4.121   1.928
  114   1HE   LYS  17          1HE       LYS  17 -14.646  -6.605   0.874
  115   2HE   LYS  17          2HE       LYS  17 -13.765  -6.461   2.407
  116   1HZ   LYS  17          1HZ       LYS  17 -16.162  -4.904   1.708
  117   2HZ   LYS  17          2HZ       LYS  17 -16.120  -6.218   2.699
  118   3HZ   LYS  17          3HZ       LYS  17 -15.332  -4.837   3.125
  119    H    ALA  18           H        ALA  18 -12.618   0.219  -0.811
  120    HA   ALA  18           HA       ALA  18 -10.258   0.388  -2.435
  121   1HB   ALA  18          1HB       ALA  18 -12.125   2.495  -1.234
  122   2HB   ALA  18          2HB       ALA  18 -10.879   2.812  -2.459
  123   3HB   ALA  18          3HB       ALA  18 -12.260   1.773  -2.849
  124    H    ARG  19           H        ARG  19 -11.170   1.258   0.959
  125    HA   ARG  19           HA       ARG  19  -8.643   2.526   1.535
  126   1HB   ARG  19          1HB       ARG  19 -10.775   3.058   2.609
  127   2HB   ARG  19          2HB       ARG  19 -10.785   1.478   3.419
  128   1HG   ARG  19          1HG       ARG  19  -8.703   2.037   4.594
  129   2HG   ARG  19          2HG       ARG  19  -8.618   3.598   3.758
  130   1HD   ARG  19          1HD       ARG  19 -10.887   2.726   5.619
  131   2HD   ARG  19          2HD       ARG  19  -9.515   3.724   6.083
  132    HE   ARG  19           HE       ARG  19 -10.285   5.541   4.902
  133   1HH1  ARG  19          1HH2      ARG  19 -12.504   2.818   4.344
  134   2HH1  ARG  19          2HH2      ARG  19 -13.773   3.838   3.712
  135   1HH2  ARG  19          1HH1      ARG  19 -11.955   6.839   4.084
  136   2HH2  ARG  19          2HH1      ARG  19 -13.462   6.124   3.573
  137    H    VAL  20           H        VAL  20  -9.928  -0.763   1.774
  138    HA   VAL  20           HA       VAL  20  -7.755  -1.857   3.347
  139    HB   VAL  20           HB       VAL  20  -9.741  -3.164   1.456
  140   1HG1  VAL  20          1HG2      VAL  20  -7.761  -4.461   3.368
  141   2HG1  VAL  20          2HG2      VAL  20  -9.100  -5.310   2.569
  142   3HG1  VAL  20          3HG2      VAL  20  -7.795  -4.628   1.598
  143   1HG2  VAL  20          1HG1      VAL  20 -10.753  -2.192   3.550
  144   2HG2  VAL  20          2HG1      VAL  20 -10.891  -3.950   3.456
  145   3HG2  VAL  20          3HG1      VAL  20  -9.663  -3.210   4.503
  146    H    LEU  21           H        LEU  21  -8.432  -1.503  -0.139
  147    HA   LEU  21           HA       LEU  21  -6.030  -2.783  -1.038
  148   1HB   LEU  21          1HB       LEU  21  -7.816  -2.239  -2.640
  149   2HB   LEU  21          2HB       LEU  21  -7.699  -0.533  -2.221
  150    HG   LEU  21           HG       LEU  21  -5.163  -0.724  -3.065
  151   1HD1  LEU  21          1HD1      LEU  21  -6.434  -3.093  -4.476
  152   2HD1  LEU  21          2HD1      LEU  21  -4.844  -2.369  -4.806
  153   3HD1  LEU  21          3HD1      LEU  21  -5.137  -3.183  -3.259
  154   1HD2  LEU  21          1HD2      LEU  21  -7.558  -0.763  -4.887
  155   2HD2  LEU  21          2HD2      LEU  21  -6.873   0.643  -4.031
  156   3HD2  LEU  21          3HD2      LEU  21  -5.915  -0.173  -5.284
  157    H    ALA  22           H        ALA  22  -6.814   0.727  -0.506
  158    HA   ALA  22           HA       ALA  22  -4.362   1.829  -0.998
  159   1HB   ALA  22          1HB       ALA  22  -6.401   3.111  -0.506
  160   2HB   ALA  22          2HB       ALA  22  -6.264   2.673   1.212
  161   3HB   ALA  22          3HB       ALA  22  -5.017   3.675   0.449
  162    H    GLU  23           H        GLU  23  -5.374   0.215   2.007
  163    HA   GLU  23           HA       GLU  23  -3.050   0.836   3.524
  164   1HB   GLU  23          1HB       GLU  23  -5.423  -0.117   4.235
  165   2HB   GLU  23          2HB       GLU  23  -4.769  -1.666   3.787
  166   1HG   GLU  23          1HG       GLU  23  -4.505  -1.361   6.179
  167   2HG   GLU  23          2HG       GLU  23  -2.915  -1.420   5.409
  168    HE2  GLU  23           HE2      GLU  23  -4.279   2.141   6.864
  169    H    ALA  24           H        ALA  24  -3.973  -1.836   1.454
  170    HA   ALA  24           HA       ALA  24  -1.614  -3.398   2.085
  171   1HB   ALA  24          1HB       ALA  24  -3.765  -4.489   1.399
  172   2HB   ALA  24          2HB       ALA  24  -3.618  -3.735  -0.207
  173   3HB   ALA  24          3HB       ALA  24  -2.423  -4.930   0.321
  174    H    MET  25           H        MET  25  -2.494  -1.153  -0.582
  175    HA   MET  25           HA       MET  25  -0.215  -2.069  -2.126
  176   1HB   MET  25          1HB       MET  25  -0.675  -0.228  -3.585
  177   2HB   MET  25          2HB       MET  25  -2.009  -1.349  -3.371
  178   1HG   MET  25          1HG       MET  25  -2.898   0.784  -3.586
  179   2HG   MET  25          2HG       MET  25  -3.166   0.299  -1.969
  180   1HE   MET  25          1HE       MET  25  -1.069   2.458  -4.409
  181   2HE   MET  25          2HE       MET  25  -0.183   3.580  -3.351
  182   3HE   MET  25          3HE       MET  25   0.303   1.876  -3.429
  183    H    SER  26           H        SER  26  -0.859   0.502   0.237
  184    HA   SER  26           HA       SER  26   1.632   1.836   0.006
  185   1HB   SER  26          1HB       SER  26  -0.304   2.731   1.252
  186   2HB   SER  26          2HB       SER  26  -0.152   1.427   2.448
  187    HG   SER  26           HG       SER  26   1.827   3.371   1.834
  188    H    GLN  27           H        GLN  27   0.614  -1.096   1.724
  189    HA   GLN  27           HA       GLN  27   3.073  -1.391   3.210
  190   1HB   GLN  27          1HB       GLN  27   0.646  -2.221   3.782
  191   2HB   GLN  27          2HB       GLN  27   0.939  -3.520   2.635
  192   1HG   GLN  27          1HG       GLN  27   2.900  -4.267   3.947
  193   2HG   GLN  27          2HG       GLN  27   2.627  -2.951   5.104
  194   1HE2  GLN  27          2HE2      GLN  27   0.266  -2.897   6.021
  195   2HE2  GLN  27          1HE2      GLN  27  -0.391  -4.454   6.481
  196    H    VAL  28           H        VAL  28   1.753  -2.792   0.230
  197    HA   VAL  28           HA       VAL  28   3.695  -4.905  -0.085
  198    HB   VAL  28           HB       VAL  28   1.710  -3.556  -1.930
  199   1HG1  VAL  28          1HG2      VAL  28   3.455  -5.988  -2.491
  200   2HG1  VAL  28          2HG2      VAL  28   2.042  -5.511  -3.456
  201   3HG1  VAL  28          3HG2      VAL  28   3.453  -4.450  -3.382
  202   1HG2  VAL  28          1HG1      VAL  28   0.986  -5.116   0.085
  203   2HG2  VAL  28          2HG1      VAL  28   0.273  -5.355  -1.520
  204   3HG2  VAL  28          3HG1      VAL  28   1.581  -6.412  -0.940
  205    H    THR  29           H        THR  29   3.167  -1.708  -1.545
  206    HA   THR  29           HA       THR  29   5.606  -1.594  -3.038
  207    HB   THR  29           HB       THR  29   3.431  -0.223  -3.093
  208    HG1  THR  29           HG1      THR  29   6.000   0.779  -3.772
  209   1HG2  THR  29          1HG2      THR  29   5.262   1.687  -1.668
  210   2HG2  THR  29          2HG2      THR  29   3.671   2.032  -2.409
  211   3HG2  THR  29          3HG2      THR  29   3.776   0.935  -1.012
  212    H    ASN  30           H        ASN  30   4.816  -0.777   0.285
  213    HA   ASN  30           HA       ASN  30   7.328   0.452   0.955
  214   1HB   ASN  30          1HB       ASN  30   5.333   0.592   2.484
  215   2HB   ASN  30          2HB       ASN  30   5.534  -1.127   2.743
  216   1HD2  ASN  30          2HD2      ASN  30   7.110  -1.870   4.208
  217   2HD2  ASN  30          1HD2      ASN  30   8.141  -0.784   5.115
  218    H    SER  31           H        SER  31   6.117  -2.884   0.926
  219    HA   SER  31           HA       SER  31   8.394  -4.097   2.208
  220   1HB   SER  31          1HB       SER  31   6.154  -5.205   1.975
  221   2HB   SER  31          2HB       SER  31   6.478  -5.430   0.243
  222    HG   SER  31           HG       SER  31   8.391  -6.567   0.884
  223    H    ALA  32           H        ALA  32   7.617  -3.220  -1.134
  224    HA   ALA  32           HA       ALA  32  10.085  -4.368  -2.225
  225   1HB   ALA  32          1HB       ALA  32   8.130  -4.179  -3.604
  226   2HB   ALA  32          2HB       ALA  32   8.175  -2.398  -3.463
  227   3HB   ALA  32          3HB       ALA  32   9.509  -3.275  -4.264
  228    H    THR  33           H        THR  33   9.129  -1.263  -0.755
  229    HA   THR  33           HA       THR  33  11.436   0.201  -1.619
  230    HB   THR  33           HB       THR  33   9.140   0.788  -0.146
  231    HG1  THR  33           HG1      THR  33  10.232   2.102  -1.595
  232   1HG2  THR  33          1HG2      THR  33  11.528   1.475   1.629
  233   2HG2  THR  33          2HG2      THR  33   9.830   1.913   1.883
  234   3HG2  THR  33          3HG2      THR  33  10.342   0.244   2.058
  235    H    ILE  34           H        ILE  34  10.789  -2.133   0.930
  236    HA   ILE  34           HA       ILE  34  13.244  -1.750   2.376
  237    HB   ILE  34           HB       ILE  34  11.422  -4.157   2.269
  238   1HG1  ILE  34          1HG1      ILE  34  10.358  -2.174   3.284
  239   2HG1  ILE  34          2HG1      ILE  34  10.632  -3.481   4.425
  240   1HG2  ILE  34          1HG2      ILE  34  13.873  -3.549   3.927
  241   2HG2  ILE  34          2HG2      ILE  34  12.672  -4.757   4.422
  242   3HG2  ILE  34          3HG2      ILE  34  13.581  -4.977   2.923
  243   1HD1  ILE  34          1HD1      ILE  34  12.605  -2.260   5.344
  244   2HD1  ILE  34          2HD1      ILE  34  12.287  -0.930   4.202
  245   3HD1  ILE  34          3HD1      ILE  34  11.106  -1.332   5.452
  246    H    MET  35           H        MET  35  12.357  -3.480  -0.590
  247    HA   MET  35           HA       MET  35  14.776  -5.088  -0.810
  248   1HB   MET  35          1HB       MET  35  12.888  -4.266  -3.011
  249   2HB   MET  35          2HB       MET  35  14.081  -5.560  -3.012
  250   1HG   MET  35          1HG       MET  35  11.679  -5.390  -1.166
  251   2HG   MET  35          2HG       MET  35  11.827  -6.316  -2.624
  252   1HE   MET  35          1HE       MET  35  10.855  -8.321  -1.104
  253   2HE   MET  35          2HE       MET  35  11.685  -8.945   0.341
  254   3HE   MET  35          3HE       MET  35  10.944  -7.329   0.373
  255    H    MET  36           H        MET  36  13.684  -1.892  -2.051
  256    HA   MET  36           HA       MET  36  15.954  -1.358  -3.734
  257   1HB   MET  36          1HB       MET  36  14.041   0.517  -2.262
  258   2HB   MET  36          2HB       MET  36  15.198   1.023  -3.500
  259   1HG   MET  36          1HG       MET  36  12.984  -1.013  -3.982
  260   2HG   MET  36          2HG       MET  36  12.842   0.716  -4.256
  261   1HE   MET  36          1HE       MET  36  12.000   0.120  -6.710
  262   2HE   MET  36          2HE       MET  36  12.927  -0.876  -7.857
  263   3HE   MET  36          3HE       MET  36  12.241  -1.616  -6.391
  264    H    GLN  37           H        GLN  37  15.041  -0.444  -0.453
  265    HA   GLN  37           HA       GLN  37  17.276   0.880   0.517
  266   1HB   GLN  37          1HB       GLN  37  15.095   0.830   1.557
  267   2HB   GLN  37          2HB       GLN  37  15.152  -0.931   1.692
  268   1HG   GLN  37          1HG       GLN  37  17.030  -0.765   3.216
  269   2HG   GLN  37          2HG       GLN  37  16.834   1.024   3.173
  270   1HE2  GLN  37          2HE2      GLN  37  14.558   1.799   3.810
  271   2HE2  GLN  37          1HE2      GLN  37  13.715   0.912   5.062
  272    H    ARG  38           H        ARG  38  16.574  -2.665   0.300
  273    HA   ARG  38           HA       ARG  38  19.111  -3.507   1.406
  274   1HB   ARG  38          1HB       ARG  38  16.528  -4.670   0.601
  275   2HB   ARG  38          2HB       ARG  38  17.795  -5.502  -0.098
  276   1HG   ARG  38          1HG       ARG  38  17.298  -6.534   2.042
  277   2HG   ARG  38          2HG       ARG  38  18.838  -5.690   2.289
  278   1HD   ARG  38          1HD       ARG  38  17.579  -3.753   3.278
  279   2HD   ARG  38          2HD       ARG  38  16.060  -4.612   2.957
  280    HE   ARG  38           HE       ARG  38  17.771  -6.243   4.544
  281   1HH1  ARG  38          1HH1      ARG  38  15.728  -3.331   4.797
  282   2HH1  ARG  38          2HH1      ARG  38  15.244  -3.671   6.433
  283   1HH2  ARG  38          1HH2      ARG  38  17.174  -6.620   6.722
  284   2HH2  ARG  38          2HH2      ARG  38  16.104  -5.517   7.548
  285    H    GLY  39           H        GLY  39  19.998  -1.929  -0.054
  286   1HA   GLY  39          1HA       GLY  39  21.740  -2.869  -2.044
  287   2HA   GLY  39          2HA       GLY  39  20.314  -2.228  -2.897
  288    H    ASN  40           H        ASN  40  19.488  -0.103  -1.673
  289    HA   ASN  40           HA       ASN  40  21.616   1.904  -1.777
  290   1HB   ASN  40          1HB       ASN  40  18.634   2.127  -1.189
  291   2HB   ASN  40          2HB       ASN  40  19.742   3.484  -1.444
  292   1HD2  ASN  40          2HD2      ASN  40  21.119   3.206  -3.610
  293   2HD2  ASN  40          1HD2      ASN  40  20.150   2.796  -5.009
  294    H    PHE  41           H        PHE  41  22.464   0.366   0.045
  295    HA   PHE  41           HA       PHE  41  22.619   1.822   2.487
  296   1HB   PHE  41          1HB       PHE  41  20.453   0.669   2.911
  297   2HB   PHE  41          2HB       PHE  41  21.211  -0.884   2.637
  298    HD1  PHE  41           HD1      PHE  41  21.210   2.126   4.845
  299    HD2  PHE  41           HD2      PHE  41  22.589  -1.931   4.350
  300    HE1  PHE  41           HE1      PHE  41  21.991   2.100   7.199
  301    HE2  PHE  41           HE2      PHE  41  23.365  -1.951   6.703
  302    HZ   PHE  41           HZ       PHE  41  23.056   0.058   8.136
  303    H    ARG  42           H        ARG  42  22.692  -1.513   1.239
  304    HA   ARG  42           HA       ARG  42  25.110  -2.459   2.241
  305   1HB   ARG  42          1HB       ARG  42  23.349  -3.745   1.072
  306   2HB   ARG  42          2HB       ARG  42  23.817  -3.011  -0.449
  307   1HG   ARG  42          1HG       ARG  42  26.057  -4.036  -0.320
  308   2HG   ARG  42          2HG       ARG  42  25.712  -4.639   1.309
  309   1HD   ARG  42          1HD       ARG  42  25.543  -6.418  -0.343
  310   2HD   ARG  42          2HD       ARG  42  23.994  -6.149   0.441
  311    HE   ARG  42           HE       ARG  42  24.820  -5.431  -2.345
  312   1HH1  ARG  42          1HH1      ARG  42  22.131  -5.662  -0.002
  313   2HH1  ARG  42          2HH1      ARG  42  20.912  -5.496  -1.240
  314   1HH2  ARG  42          1HH2      ARG  42  23.185  -5.255  -3.917
  315   2HH2  ARG  42          2HH2      ARG  42  21.504  -5.281  -3.446
  316    H    ASN  43           H        ASN  43  24.459  -0.955  -0.890
  317    HA   ASN  43           HA       ASN  43  27.187  -0.773  -1.782
  318   1HB   ASN  43          1HB       ASN  43  25.240  -0.791  -3.291
  319   2HB   ASN  43          2HB       ASN  43  24.679   0.747  -2.630
  320   1HD2  ASN  43          2HD2      ASN  43  25.695   2.718  -3.242
  321   2HD2  ASN  43          1HD2      ASN  43  26.899   2.775  -4.507
  322    H    GLN  44           H        GLN  44  24.877   1.518  -0.360
  323    HA   GLN  44           HA       GLN  44  26.365   3.741  -0.473
  324   1HB   GLN  44          1HB       GLN  44  24.093   2.976   1.301
  325   2HB   GLN  44          2HB       GLN  44  24.654   4.641   1.140
  326   1HG   GLN  44          1HG       GLN  44  23.902   2.952  -1.304
  327   2HG   GLN  44          2HG       GLN  44  22.773   3.854  -0.364
  328   1HE2  GLN  44          2HE2      GLN  44  23.502   6.315  -0.030
  329   2HE2  GLN  44          1HE2      GLN  44  24.183   7.081  -1.450
  330    H    ARG  45           H        ARG  45  26.609   5.112   1.645
  331    HA   ARG  45           HA       ARG  45  27.979   5.744   3.306
  332   1HB   ARG  45          1HB       ARG  45  27.743   2.978   4.530
  333   2HB   ARG  45          2HB       ARG  45  28.114   4.503   5.312
  334   1HG   ARG  45          1HG       ARG  45  25.954   4.552   5.899
  335   2HG   ARG  45          2HG       ARG  45  25.682   5.143   4.262
  336   1HD   ARG  45          1HD       ARG  45  24.102   3.414   4.655
  337   2HD   ARG  45          2HD       ARG  45  25.283   2.698   3.577
  338    HE   ARG  45           HE       ARG  45  24.801   2.163   6.454
  339   1HH1  ARG  45          1HH1      ARG  45  26.702   1.192   3.574
  340   2HH1  ARG  45          2HH1      ARG  45  27.295  -0.250   4.347
  341   1HH2  ARG  45          1HH2      ARG  45  25.551   0.253   7.368
  342   2HH2  ARG  45          2HH2      ARG  45  26.626  -0.797   6.481
  343    H    LYS  46           H        LYS  46  29.177   4.510   0.830
  344    HA   LYS  46           HA       LYS  46  31.822   3.531   1.693
  345   1HB   LYS  46          1HB       LYS  46  30.042   2.090   0.665
  346   2HB   LYS  46          2HB       LYS  46  30.139   3.069  -0.766
  347   1HG   LYS  46          1HG       LYS  46  32.646   2.442  -0.871
  348   2HG   LYS  46          2HG       LYS  46  32.371   1.428   0.554
  349   1HD   LYS  46          1HD       LYS  46  30.674   0.124  -0.666
  350   2HD   LYS  46          2HD       LYS  46  30.880   1.139  -2.100
  351   1HE   LYS  46          1HE       LYS  46  33.069  -0.584  -0.839
  352   2HE   LYS  46          2HE       LYS  46  32.084  -1.045  -2.238
  353   1HZ   LYS  46          1HZ       LYS  46  32.957   0.845  -3.410
  354   2HZ   LYS  46          2HZ       LYS  46  33.907   1.252  -2.125
  355   3HZ   LYS  46          3HZ       LYS  46  34.165  -0.164  -2.923
  356    H    ILE  47           H        ILE  47  31.747   4.116  -1.083
  357    HA   ILE  47           HA       ILE  47  32.765   6.950  -1.182
  358    HB   ILE  47           HB       ILE  47  33.431   4.697  -3.121
  359   1HG1  ILE  47          1HG1      ILE  47  34.449   4.132  -1.004
  360   2HG1  ILE  47          2HG1      ILE  47  35.670   4.664  -2.151
  361   1HG2  ILE  47          1HG2      ILE  47  34.520   7.531  -2.832
  362   2HG2  ILE  47          2HG2      ILE  47  35.225   6.274  -3.869
  363   3HG2  ILE  47          3HG2      ILE  47  33.598   6.878  -4.192
  364   1HD1  ILE  47          1HD1      ILE  47  35.771   6.884  -1.024
  365   2HD1  ILE  47          2HD1      ILE  47  34.545   6.335   0.144
  366   3HD1  ILE  47          3HD1      ILE  47  36.125   5.545   0.076
  367    H    VAL  48           H        VAL  48  30.528   7.571  -1.193
  368    HA   VAL  48           HA       VAL  48  29.229   7.467  -3.848
  369    HB   VAL  48           HB       VAL  48  27.064   6.977  -2.783
  370   1HG1  VAL  48          1HG2      VAL  48  28.406   5.144  -3.799
  371   2HG1  VAL  48          2HG2      VAL  48  29.083   4.772  -2.198
  372   3HG1  VAL  48          3HG2      VAL  48  27.351   4.587  -2.492
  373   1HG2  VAL  48          1HG1      VAL  48  27.522   7.717  -0.467
  374   2HG2  VAL  48          2HG1      VAL  48  26.928   6.056  -0.507
  375   3HG2  VAL  48          3HG1      VAL  48  28.654   6.365  -0.248
  Start of MODEL    2
    1   1H    LEU   1          1H        LEU   1 -36.319   3.388   5.650
    2   2H    LEU   1          2H        LEU   1 -37.196   1.954   5.609
    3    HA   LEU   1           HA       LEU   1 -35.371   1.528   7.550
    4   1HB   LEU   1          1HB       LEU   1 -35.139   0.744   4.606
    5   2HB   LEU   1          2HB       LEU   1 -34.301  -0.005   5.959
    6    HG   LEU   1           HG       LEU   1 -35.947  -1.496   5.437
    7   1HD1  LEU   1          1HD2      LEU   1 -35.825  -1.022   7.871
    8   2HD1  LEU   1          2HD2      LEU   1 -37.224   0.068   7.713
    9   3HD1  LEU   1          3HD2      LEU   1 -37.399  -1.658   7.357
   10   1HD2  LEU   1          1HD1      LEU   1 -37.316  -0.048   3.958
   11   2HD2  LEU   1          2HD1      LEU   1 -38.252  -1.134   4.996
   12   3HD2  LEU   1          3HD1      LEU   1 -38.161   0.584   5.388
   13    H    GLU   2           H        GLU   2 -32.986   1.452   7.468
   14    HA   GLU   2           HA       GLU   2 -31.874   4.015   6.846
   15   1HB   GLU   2          1HB       GLU   2 -29.889   3.078   7.918
   16   2HB   GLU   2          2HB       GLU   2 -31.368   2.846   8.861
   17   1HG   GLU   2          1HG       GLU   2 -31.466   0.487   8.323
   18   2HG   GLU   2          2HG       GLU   2 -30.116   0.621   7.196
   19    HE2  GLU   2           HE2      GLU   2 -27.819   0.045   9.678
   20    H    GLU   3           H        GLU   3 -32.575   3.572   4.475
   21    HA   GLU   3           HA       GLU   3 -30.883   1.968   2.918
   22   1HB   GLU   3          1HB       GLU   3 -32.235   2.768   1.032
   23   2HB   GLU   3          2HB       GLU   3 -33.303   2.494   2.423
   24   1HG   GLU   3          1HG       GLU   3 -33.015   4.879   3.065
   25   2HG   GLU   3          2HG       GLU   3 -32.004   5.139   1.666
   26    HE2  GLU   3           HE2      GLU   3 -34.726   5.008  -0.640
   27    H    MET   4           H        MET   4 -29.764   4.136   4.267
   28    HA   MET   4           HA       MET   4 -27.941   5.345   2.216
   29   1HB   MET   4          1HB       MET   4 -29.138   6.967   3.596
   30   2HB   MET   4          2HB       MET   4 -28.447   6.273   5.067
   31   1HG   MET   4          1HG       MET   4 -26.746   7.292   2.749
   32   2HG   MET   4          2HG       MET   4 -27.349   8.360   4.000
   33   1HE   MET   4          1HE       MET   4 -26.435   8.612   6.363
   34   2HE   MET   4          2HE       MET   4 -27.003   6.973   6.763
   35   3HE   MET   4          3HE       MET   4 -25.340   7.455   7.152
   36    H    MET   5           H        MET   5 -28.062   3.879   5.453
   37    HA   MET   5           HA       MET   5 -25.276   3.215   5.647
   38   1HB   MET   5          1HB       MET   5 -27.756   2.117   7.040
   39   2HB   MET   5          2HB       MET   5 -26.085   1.765   7.495
   40   1HG   MET   5          1HG       MET   5 -25.688   4.166   7.949
   41   2HG   MET   5          2HG       MET   5 -27.349   4.534   7.473
   42   1HE   MET   5          1HE       MET   5 -24.987   3.056  10.153
   43   2HE   MET   5          2HE       MET   5 -26.104   2.409  11.375
   44   3HE   MET   5          3HE       MET   5 -25.916   1.574   9.820
   45    H    THR   6           H        THR   6 -28.188   1.570   4.489
   46    HA   THR   6           HA       THR   6 -27.004  -1.014   4.090
   47    HB   THR   6           HB       THR   6 -29.433   0.204   2.716
   48    HG1  THR   6           HG1      THR   6 -29.610   0.302   4.975
   49   1HG2  THR   6          1HG2      THR   6 -30.198  -2.152   2.595
   50   2HG2  THR   6          2HG2      THR   6 -28.706  -1.908   1.674
   51   3HG2  THR   6          3HG2      THR   6 -28.646  -2.689   3.270
   52    H    ALA   7           H        ALA   7 -27.426   1.875   2.093
   53    HA   ALA   7           HA       ALA   7 -26.410   0.729  -0.360
   54   1HB   ALA   7          1HB       ALA   7 -26.641   3.631   0.537
   55   2HB   ALA   7          2HB       ALA   7 -26.233   3.080  -1.101
   56   3HB   ALA   7          3HB       ALA   7 -27.822   2.705  -0.410
   57    H    CYS   8           H        CYS   8 -24.977   3.088   1.879
   58    HA   CYS   8           HA       CYS   8 -22.244   2.457   0.973
   59   1HB   CYS   8          1HB       CYS   8 -23.291   4.511   2.979
   60   2HB   CYS   8          2HB       CYS   8 -21.618   4.379   2.398
   61    HG   CYS   8           HG       CYS   8 -22.793   6.407   1.278
   62    H    GLN   9           H        GLN   9 -22.985   0.204   1.877
   63    HA   GLN   9           HA       GLN   9 -22.585  -0.202   4.711
   64   1HB   GLN   9          1HB       GLN   9 -22.917  -2.528   4.138
   65   2HB   GLN   9          2HB       GLN   9 -24.129  -1.508   3.357
   66   1HG   GLN   9          1HG       GLN   9 -22.929  -1.685   1.198
   67   2HG   GLN   9          2HG       GLN   9 -21.652  -2.622   1.984
   68   1HE2  GLN   9          2HE2      GLN   9 -25.236  -2.642   1.514
   69   2HE2  GLN   9          1HE2      GLN   9 -25.354  -4.382   1.332
   70    H    GLY  10           H        GLY  10 -21.001  -2.186   5.158
   71   1HA   GLY  10          1HA       GLY  10 -18.337  -1.028   4.843
   72   2HA   GLY  10          2HA       GLY  10 -18.820  -2.376   5.876
   73    H    VAL  11           H        VAL  11 -19.633  -2.382   2.451
   74    HA   VAL  11           HA       VAL  11 -18.149  -4.781   1.913
   75    HB   VAL  11           HB       VAL  11 -20.303  -4.274   0.940
   76   1HG1  VAL  11          1HG2      VAL  11 -19.815  -1.870   0.453
   77   2HG1  VAL  11          2HG2      VAL  11 -18.722  -2.408  -0.850
   78   3HG1  VAL  11          3HG2      VAL  11 -20.463  -2.790  -0.931
   79   1HG2  VAL  11          1HG1      VAL  11 -18.814  -6.002  -0.020
   80   2HG2  VAL  11          2HG1      VAL  11 -19.790  -5.198  -1.261
   81   3HG2  VAL  11          3HG1      VAL  11 -18.076  -4.782  -1.081
   82    H    GLY  12           H        GLY  12 -17.589  -1.334   1.445
   83   1HA   GLY  12          1HA       GLY  12 -15.551  -0.258   1.081
   84   2HA   GLY  12          2HA       GLY  12 -14.774  -1.794   0.677
   85    H    GLY  13           H        GLY  13 -16.756   0.852  -0.483
   86   1HA   GLY  13          1HA       GLY  13 -17.476  -0.077  -3.040
   87   2HA   GLY  13          2HA       GLY  13 -17.277   1.623  -2.568
   88    HA   PRO  14           HA       PRO  14 -14.020  -0.160  -5.730
   89   1HB   PRO  14          1HB       PRO  14 -14.651   1.693  -7.769
   90   2HB   PRO  14          2HB       PRO  14 -15.308   0.064  -7.581
   91   1HG   PRO  14          1HG       PRO  14 -16.614   2.626  -6.737
   92   2HG   PRO  14          2HG       PRO  14 -17.333   1.238  -7.595
   93   1HD   PRO  14          1HD       PRO  14 -17.647   1.537  -4.937
   94   2HD   PRO  14          2HD       PRO  14 -17.356  -0.089  -5.621
   95    H    GLY  15           H        GLY  15 -15.099   3.145  -5.546
   96   1HA   GLY  15          1HA       GLY  15 -12.807   4.651  -5.920
   97   2HA   GLY  15          2HA       GLY  15 -14.096   5.134  -4.806
   98    H    HIS  16           H        HIS  16 -13.692   2.944  -2.885
   99    HA   HIS  16           HA       HIS  16 -11.190   3.913  -1.581
  100   1HB   HIS  16          1HB       HIS  16 -13.409   3.706  -0.260
  101   2HB   HIS  16          2HB       HIS  16 -13.297   1.953  -0.533
  102    HD1  HIS  16           HD1      HIS  16 -11.699   4.768   1.451
  103    HD2  HIS  16           HD2      HIS  16 -11.427   0.580   0.968
  104    HE1  HIS  16           HE1      HIS  16 -10.185   3.883   3.313
  105    HE2  HIS  16           HE2      HIS  16 -10.008   1.334   3.052
  106    H    LYS  17           H        LYS  17 -12.527   1.002  -3.093
  107    HA   LYS  17           HA       LYS  17 -10.475  -0.762  -2.168
  108   1HB   LYS  17          1HB       LYS  17 -12.347  -0.685  -4.522
  109   2HB   LYS  17          2HB       LYS  17 -11.170  -1.954  -4.377
  110   1HG   LYS  17          1HG       LYS  17 -13.038  -1.322  -2.077
  111   2HG   LYS  17          2HG       LYS  17 -13.561  -2.338  -3.435
  112   1HD   LYS  17          1HD       LYS  17 -11.857  -3.984  -2.992
  113   2HD   LYS  17          2HD       LYS  17 -11.044  -2.936  -1.824
  114   1HE   LYS  17          1HE       LYS  17 -12.316  -4.672  -0.663
  115   2HE   LYS  17          2HE       LYS  17 -12.946  -3.061  -0.291
  116   1HZ   LYS  17          1HZ       LYS  17 -14.683  -3.450  -1.897
  117   2HZ   LYS  17          2HZ       LYS  17 -14.115  -4.973  -2.196
  118   3HZ   LYS  17          3HZ       LYS  17 -14.709  -4.573  -0.705
  119    H    ALA  18           H        ALA  18 -10.633   1.764  -4.582
  120    HA   ALA  18           HA       ALA  18  -8.176   1.151  -5.970
  121   1HB   ALA  18          1HB       ALA  18  -9.978   2.527  -6.957
  122   2HB   ALA  18          2HB       ALA  18  -9.759   3.747  -5.688
  123   3HB   ALA  18          3HB       ALA  18  -8.458   3.439  -6.855
  124    H    ARG  19           H        ARG  19  -9.160   3.245  -3.157
  125    HA   ARG  19           HA       ARG  19  -6.538   4.405  -2.862
  126   1HB   ARG  19          1HB       ARG  19  -8.663   5.423  -2.175
  127   2HB   ARG  19          2HB       ARG  19  -8.858   4.200  -0.903
  128   1HG   ARG  19          1HG       ARG  19  -6.793   4.971   0.190
  129   2HG   ARG  19          2HG       ARG  19  -6.523   6.158  -1.098
  130   1HD   ARG  19          1HD       ARG  19  -8.945   6.114   0.773
  131   2HD   ARG  19          2HD       ARG  19  -7.512   7.112   0.981
  132    HE   ARG  19           HE       ARG  19  -8.060   8.477  -0.789
  133   1HH1  ARG  19          1HH1      ARG  19 -10.495   5.892  -0.561
  134   2HH1  ARG  19          2HH1      ARG  19 -11.656   6.746  -1.545
  135   1HH2  ARG  19          1HH2      ARG  19  -9.584   9.555  -2.077
  136   2HH2  ARG  19          2HH2      ARG  19 -11.133   8.828  -2.413
  137    H    VAL  20           H        VAL  20  -8.196   1.613  -1.510
  138    HA   VAL  20           HA       VAL  20  -6.289   1.111   0.574
  139    HB   VAL  20           HB       VAL  20  -8.931   0.488   0.247
  140   1HG1  VAL  20          1HG1      VAL  20  -8.478  -1.191  -1.492
  141   2HG1  VAL  20          2HG1      VAL  20  -7.711  -2.197  -0.247
  142   3HG1  VAL  20          3HG1      VAL  20  -9.420  -1.722  -0.093
  143   1HG2  VAL  20          1HG2      VAL  20  -7.671   0.441   2.374
  144   2HG2  VAL  20          2HG2      VAL  20  -8.688  -1.000   2.197
  145   3HG2  VAL  20          3HG2      VAL  20  -6.938  -1.110   1.907
  146    H    LEU  21           H        LEU  21  -6.836  -0.085  -2.735
  147    HA   LEU  21           HA       LEU  21  -4.781  -2.102  -2.643
  148   1HB   LEU  21          1HB       LEU  21  -6.400  -2.069  -4.509
  149   2HB   LEU  21          2HB       LEU  21  -5.936  -0.412  -4.903
  150    HG   LEU  21           HG       LEU  21  -3.493  -1.413  -5.299
  151   1HD1  LEU  21          1HD1      LEU  21  -5.182  -3.923  -5.557
  152   2HD1  LEU  21          2HD1      LEU  21  -3.478  -3.721  -6.021
  153   3HD1  LEU  21          3HD1      LEU  21  -3.942  -3.629  -4.314
  154   1HD2  LEU  21          1HD2      LEU  21  -5.813  -1.938  -7.143
  155   2HD2  LEU  21          2HD2      LEU  21  -4.886  -0.424  -6.977
  156   3HD2  LEU  21          3HD2      LEU  21  -4.079  -1.884  -7.583
  157    H    ALA  22           H        ALA  22  -4.877   1.319  -3.879
  158    HA   ALA  22           HA       ALA  22  -2.256   1.630  -4.596
  159   1HB   ALA  22          1HB       ALA  22  -3.979   3.310  -4.988
  160   2HB   ALA  22          2HB       ALA  22  -4.025   3.704  -3.255
  161   3HB   ALA  22          3HB       ALA  22  -2.563   4.034  -4.205
  162    H    GLU  23           H        GLU  23  -3.567   1.831  -1.297
  163    HA   GLU  23           HA       GLU  23  -1.173   2.701  -0.018
  164   1HB   GLU  23          1HB       GLU  23  -3.669   2.619   0.808
  165   2HB   GLU  23          2HB       GLU  23  -3.342   0.946   1.196
  166   1HG   GLU  23          1HG       GLU  23  -1.438   1.639   2.654
  167   2HG   GLU  23          2HG       GLU  23  -1.800   3.336   2.295
  168    HE2  GLU  23           HE2      GLU  23  -4.816   3.312   4.195
  169    H    ALA  24           H        ALA  24  -2.587  -0.440  -0.694
  170    HA   ALA  24           HA       ALA  24  -0.581  -1.884   0.812
  171   1HB   ALA  24          1HB       ALA  24  -2.901  -2.784   0.528
  172   2HB   ALA  24          2HB       ALA  24  -2.615  -2.931  -1.224
  173   3HB   ALA  24          3HB       ALA  24  -1.674  -3.912  -0.089
  174    H    MET  25           H        MET  25  -0.983  -1.052  -2.659
  175    HA   MET  25           HA       MET  25   1.069  -2.980  -3.378
  176   1HB   MET  25          1HB       MET  25   1.005  -1.980  -5.554
  177   2HB   MET  25          2HB       MET  25  -0.528  -2.626  -4.991
  178   1HG   MET  25          1HG       MET  25  -0.984  -0.724  -6.235
  179   2HG   MET  25          2HG       MET  25  -1.345  -0.342  -4.607
  180   1HE   MET  25          1HE       MET  25   1.143   0.027  -7.555
  181   2HE   MET  25          2HE       MET  25   2.225   1.345  -7.052
  182   3HE   MET  25          3HE       MET  25   2.371  -0.251  -6.292
  183    H    SER  26           H        SER  26   0.940   0.471  -2.543
  184    HA   SER  26           HA       SER  26   3.655   1.073  -3.093
  185   1HB   SER  26          1HB       SER  26   1.916   2.768  -2.627
  186   2HB   SER  26          2HB       SER  26   1.803   2.200  -0.947
  187    HG   SER  26           HG       SER  26   3.194   4.003  -1.188
  188    H    GLN  27           H        GLN  27   2.036  -0.464  -0.328
  189    HA   GLN  27           HA       GLN  27   4.360  -0.413   1.382
  190   1HB   GLN  27          1HB       GLN  27   1.832  -0.426   2.033
  191   2HB   GLN  27          2HB       GLN  27   1.820  -2.118   1.571
  192   1HG   GLN  27          1HG       GLN  27   3.550  -2.618   3.288
  193   2HG   GLN  27          2HG       GLN  27   3.606  -0.898   3.721
  194   1HE2  GLN  27          2HE2      GLN  27   3.154  -2.232   5.860
  195   2HE2  GLN  27          1HE2      GLN  27   1.461  -2.340   6.298
  196    H    VAL  28           H        VAL  28   2.821  -2.839  -0.718
  197    HA   VAL  28           HA       VAL  28   4.333  -5.123   0.212
  198    HB   VAL  28           HB       VAL  28   2.666  -4.543  -2.251
  199   1HG1  VAL  28          1HG2      VAL  28   3.906  -7.188  -1.385
  200   2HG1  VAL  28          2HG2      VAL  28   2.630  -7.019  -2.610
  201   3HG1  VAL  28          3HG2      VAL  28   4.223  -6.308  -2.897
  202   1HG2  VAL  28          1HG1      VAL  28   1.616  -4.765   0.167
  203   2HG2  VAL  28          2HG1      VAL  28   0.900  -5.651  -1.189
  204   3HG2  VAL  28          3HG1      VAL  28   1.967  -6.475  -0.029
  205    H    THR  29           H        THR  29   4.447  -2.990  -2.629
  206    HA   THR  29           HA       THR  29   6.904  -4.012  -3.711
  207    HB   THR  29           HB       THR  29   5.018  -2.501  -4.656
  208    HG1  THR  29           HG1      THR  29   6.679  -3.533  -5.836
  209   1HG2  THR  29          1HG2      THR  29   7.195  -0.493  -4.142
  210   2HG2  THR  29          2HG2      THR  29   5.709  -0.279  -5.112
  211   3HG2  THR  29          3HG2      THR  29   5.587  -0.546  -3.356
  212    H    ASN  30           H        ASN  30   6.200  -1.572  -1.294
  213    HA   ASN  30           HA       ASN  30   8.890  -0.576  -0.977
  214   1HB   ASN  30          1HB       ASN  30   6.990   0.638   0.120
  215   2HB   ASN  30          2HB       ASN  30   6.707  -0.802   1.064
  216   1HD2  ASN  30          2HD2      ASN  30   9.668   1.157   0.336
  217   2HD2  ASN  30          1HD2      ASN  30  10.142   1.278   2.015
  218    H    SER  31           H        SER  31   7.073  -3.280   0.419
  219    HA   SER  31           HA       SER  31   9.069  -4.047   2.348
  220   1HB   SER  31          1HB       SER  31   6.855  -5.736   1.089
  221   2HB   SER  31          2HB       SER  31   7.863  -6.210   2.462
  222    HG   SER  31           HG       SER  31   6.186  -3.927   2.364
  223    H    ALA  32           H        ALA  32   8.628  -4.688  -1.067
  224    HA   ALA  32           HA       ALA  32  10.875  -6.607  -1.196
  225   1HB   ALA  32          1HB       ALA  32   8.961  -6.915  -2.624
  226   2HB   ALA  32          2HB       ALA  32   9.258  -5.331  -3.393
  227   3HB   ALA  32          3HB       ALA  32  10.456  -6.647  -3.549
  228    H    THR  33           H        THR  33  10.346  -3.102  -1.635
  229    HA   THR  33           HA       THR  33  12.842  -2.588  -2.944
  230    HB   THR  33           HB       THR  33  10.635  -1.065  -2.245
  231    HG1  THR  33           HG1      THR  33  11.789   0.545  -3.314
  232   1HG2  THR  33          1HG2      THR  33  12.994   0.160  -0.747
  233   2HG2  THR  33          2HG2      THR  33  11.391   0.868  -0.998
  234   3HG2  THR  33          3HG2      THR  33  11.579  -0.529   0.052
  235    H    ILE  34           H        ILE  34  11.843  -3.110   0.382
  236    HA   ILE  34           HA       ILE  34  14.262  -2.298   1.674
  237    HB   ILE  34           HB       ILE  34  12.066  -4.221   2.446
  238   1HG1  ILE  34          1HG1      ILE  34  11.578  -1.723   2.361
  239   2HG1  ILE  34          2HG1      ILE  34  11.251  -2.549   3.884
  240   1HG2  ILE  34          1HG2      ILE  34  14.516  -3.420   4.022
  241   2HG2  ILE  34          2HG2      ILE  34  13.055  -4.092   4.780
  242   3HG2  ILE  34          3HG2      ILE  34  13.975  -5.062   3.627
  243   1HD1  ILE  34          1HD1      ILE  34  13.741  -0.881   3.328
  244   2HD1  ILE  34          2HD1      ILE  34  12.288  -0.322   4.168
  245   3HD1  ILE  34          3HD1      ILE  34  13.273  -1.606   4.882
  246    H    MET  35           H        MET  35  13.245  -5.231  -0.040
  247    HA   MET  35           HA       MET  35  15.375  -6.981   0.839
  248   1HB   MET  35          1HB       MET  35  13.712  -7.205  -1.664
  249   2HB   MET  35          2HB       MET  35  14.693  -8.443  -0.892
  250   1HG   MET  35          1HG       MET  35  12.310  -7.063   0.367
  251   2HG   MET  35          2HG       MET  35  12.338  -8.618  -0.403
  252   1HE   MET  35          1HE       MET  35  11.089  -9.561   1.738
  253   2HE   MET  35          2HE       MET  35  11.743  -9.477   3.390
  254   3HE   MET  35          3HE       MET  35  11.192  -7.995   2.578
  255    H    MET  36           H        MET  36  14.835  -4.863  -1.992
  256    HA   MET  36           HA       MET  36  17.231  -5.538  -3.438
  257   1HB   MET  36          1HB       MET  36  15.505  -3.013  -3.409
  258   2HB   MET  36          2HB       MET  36  16.772  -3.352  -4.595
  259   1HG   MET  36          1HG       MET  36  14.331  -5.121  -4.146
  260   2HG   MET  36          2HG       MET  36  14.446  -3.829  -5.330
  261   1HE   MET  36          1HE       MET  36  13.646  -5.596  -7.149
  262   2HE   MET  36          2HE       MET  36  14.474  -7.141  -7.455
  263   3HE   MET  36          3HE       MET  36  13.622  -6.881  -5.915
  264    H    GLN  37           H        GLN  37  16.299  -2.905  -1.288
  265    HA   GLN  37           HA       GLN  37  18.707  -1.531  -0.965
  266   1HB   GLN  37          1HB       GLN  37  16.541  -0.636  -0.441
  267   2HB   GLN  37          2HB       GLN  37  16.214  -1.939   0.715
  268   1HG   GLN  37          1HG       GLN  37  17.675  -1.198   2.271
  269   2HG   GLN  37          2HG       GLN  37  18.547  -0.159   1.093
  270   1HE2  GLN  37          2HE2      GLN  37  14.988  -0.262   1.402
  271   2HE2  GLN  37          1HE2      GLN  37  14.822   1.369   2.017
  272    H    ARG  38           H        ARG  38  17.553  -4.527   0.526
  273    HA   ARG  38           HA       ARG  38  19.614  -4.718   2.537
  274   1HB   ARG  38          1HB       ARG  38  17.168  -6.042   1.931
  275   2HB   ARG  38          2HB       ARG  38  18.354  -7.212   1.625
  276   1HG   ARG  38          1HG       ARG  38  17.698  -7.443   3.929
  277   2HG   ARG  38          2HG       ARG  38  19.254  -6.596   4.044
  278   1HD   ARG  38          1HD       ARG  38  18.018  -4.416   4.195
  279   2HD   ARG  38          2HD       ARG  38  16.487  -5.287   3.987
  280    HE   ARG  38           HE       ARG  38  17.888  -6.352   6.225
  281   1HH1  ARG  38          1HH1      ARG  38  16.114  -3.448   5.227
  282   2HH1  ARG  38          2HH1      ARG  38  15.468  -3.129   6.817
  283   1HH2  ARG  38          1HH2      ARG  38  17.083  -5.897   8.328
  284   2HH2  ARG  38          2HH2      ARG  38  16.056  -4.513   8.598
  285    H    GLY  39           H        GLY  39  20.871  -4.082   0.437
  286   1HA   GLY  39          1HA       GLY  39  23.074  -5.774   0.008
  287   2HA   GLY  39          2HA       GLY  39  21.946  -6.047  -1.343
  288    H    ASN  40           H        ASN  40  20.867  -3.768  -2.001
  289    HA   ASN  40           HA       ASN  40  23.014  -2.083  -3.043
  290   1HB   ASN  40          1HB       ASN  40  19.984  -1.959  -3.340
  291   2HB   ASN  40          2HB       ASN  40  21.133  -0.905  -4.162
  292   1HD2  ASN  40          2HD2      ASN  40  19.915  -4.232  -3.968
  293   2HD2  ASN  40          1HD2      ASN  40  20.622  -4.762  -5.483
  294    H    PHE  41           H        PHE  41  23.537  -1.759  -0.646
  295    HA   PHE  41           HA       PHE  41  23.180   0.946   0.087
  296   1HB   PHE  41          1HB       PHE  41  20.916   0.048   0.824
  297   2HB   PHE  41          2HB       PHE  41  21.737  -1.082   1.876
  298    HD1  PHE  41           HD1      PHE  41  22.987  -0.271   3.894
  299    HD2  PHE  41           HD2      PHE  41  20.547   2.331   1.464
  300    HE1  PHE  41           HE1      PHE  41  22.753   1.296   5.798
  301    HE2  PHE  41           HE2      PHE  41  20.293   3.876   3.385
  302    HZ   PHE  41           HZ       PHE  41  21.386   3.357   5.557
  303    H    ARG  42           H        ARG  42  23.455  -2.303   1.476
  304    HA   ARG  42           HA       ARG  42  25.573  -1.984   3.281
  305   1HB   ARG  42          1HB       ARG  42  24.013  -3.906   3.114
  306   2HB   ARG  42          2HB       ARG  42  24.737  -4.371   1.594
  307   1HG   ARG  42          1HG       ARG  42  25.558  -5.795   3.361
  308   2HG   ARG  42          2HG       ARG  42  26.894  -4.849   2.695
  309   1HD   ARG  42          1HD       ARG  42  26.833  -3.336   4.622
  310   2HD   ARG  42          2HD       ARG  42  25.373  -4.146   5.244
  311    HE   ARG  42           HE       ARG  42  27.389  -6.098   4.911
  312   1HH1  ARG  42          1HH2      ARG  42  26.757  -3.252   6.934
  313   2HH1  ARG  42          2HH2      ARG  42  27.693  -3.843   8.283
  314   1HH2  ARG  42          1HH1      ARG  42  28.616  -6.865   6.686
  315   2HH2  ARG  42          2HH1      ARG  42  28.756  -5.910   8.139
  316    H    ASN  43           H        ASN  43  25.540  -3.171  -0.044
  317    HA   ASN  43           HA       ASN  43  28.379  -3.509  -0.326
  318   1HB   ASN  43          1HB       ASN  43  26.679  -4.741  -1.638
  319   2HB   ASN  43          2HB       ASN  43  26.197  -3.244  -2.445
  320   1HD2  ASN  43          2HD2      ASN  43  27.694  -2.222  -3.950
  321   2HD2  ASN  43          1HD2      ASN  43  29.008  -3.145  -4.647
  322    H    GLN  44           H        GLN  44  26.064  -1.053  -1.393
  323    HA   GLN  44           HA       GLN  44  27.578   0.576  -2.853
  324   1HB   GLN  44          1HB       GLN  44  25.331   1.381  -0.943
  325   2HB   GLN  44          2HB       GLN  44  25.983   2.379  -2.249
  326   1HG   GLN  44          1HG       GLN  44  25.422   0.581  -3.837
  327   2HG   GLN  44          2HG       GLN  44  24.603  -0.318  -2.565
  328   1HE2  GLN  44          2HE2      GLN  44  23.208   0.449  -4.867
  329   2HE2  GLN  44          1HE2      GLN  44  22.038   1.680  -4.440
  330    H    ARG  45           H        ARG  45  26.727   1.213   0.511
  331    HA   ARG  45           HA       ARG  45  27.581   2.388   2.184
  332   1HB   ARG  45          1HB       ARG  45  29.464   0.612   1.741
  333   2HB   ARG  45          2HB       ARG  45  30.443   1.998   1.265
  334   1HG   ARG  45          1HG       ARG  45  28.954   1.579   3.900
  335   2HG   ARG  45          2HG       ARG  45  30.694   1.381   3.662
  336   1HD   ARG  45          1HD       ARG  45  30.997   3.766   3.308
  337   2HD   ARG  45          2HD       ARG  45  29.246   4.018   3.259
  338    HE   ARG  45           HE       ARG  45  30.382   2.869   5.718
  339   1HH1  ARG  45          1HH1      ARG  45  29.033   5.814   4.153
  340   2HH1  ARG  45          2HH1      ARG  45  28.338   6.362   5.665
  341   1HH2  ARG  45          1HH2      ARG  45  29.478   3.735   7.646
  342   2HH2  ARG  45          2HH2      ARG  45  28.570   5.230   7.569
  343    H    LYS  46           H        LYS  46  26.449   4.184   1.019
  344    HA   LYS  46           HA       LYS  46  28.096   6.292  -0.225
  345   1HB   LYS  46          1HB       LYS  46  26.155   5.135  -1.303
  346   2HB   LYS  46          2HB       LYS  46  25.117   5.797  -0.069
  347   1HG   LYS  46          1HG       LYS  46  25.893   8.123  -0.849
  348   2HG   LYS  46          2HG       LYS  46  26.918   7.311  -2.043
  349   1HD   LYS  46          1HD       LYS  46  24.897   6.295  -3.078
  350   2HD   LYS  46          2HD       LYS  46  23.884   7.038  -1.830
  351   1HE   LYS  46          1HE       LYS  46  23.734   8.353  -3.859
  352   2HE   LYS  46          2HE       LYS  46  24.563   9.300  -2.613
  353   1HZ   LYS  46          1HZ       LYS  46  25.865   7.823  -4.799
  354   2HZ   LYS  46          2HZ       LYS  46  25.629   9.452  -4.745
  355   3HZ   LYS  46          3HZ       LYS  46  26.637   8.732  -3.661
  356    H    ILE  47           H        ILE  47  25.714   7.351   0.942
  357    HA   ILE  47           HA       ILE  47  26.855   8.591   3.433
  358    HB   ILE  47           HB       ILE  47  24.339   9.427   1.942
  359   1HG1  ILE  47          1HG1      ILE  47  26.226   9.879   0.503
  360   2HG1  ILE  47          2HG1      ILE  47  25.622  11.379   1.186
  361   1HG2  ILE  47          1HG2      ILE  47  25.863  10.710   4.253
  362   2HG2  ILE  47          2HG2      ILE  47  24.591  11.517   3.312
  363   3HG2  ILE  47          3HG2      ILE  47  24.206  10.094   4.280
  364   1HD1  ILE  47          1HD1      ILE  47  27.518  11.381   2.822
  365   2HD1  ILE  47          2HD1      ILE  47  28.135   9.888   2.071
  366   3HD1  ILE  47          3HD1      ILE  47  28.050  11.385   1.135
  367    H    VAL  48           H        VAL  48  26.732   6.543   4.460
  368    HA   VAL  48           HA       VAL  48  24.123   6.015   5.757
  369    HB   VAL  48           HB       VAL  48  24.357   3.633   5.473
  370   1HG1  VAL  48          1HG2      VAL  48  23.175   4.901   3.675
  371   2HG1  VAL  48          2HG2      VAL  48  24.678   4.920   2.726
  372   3HG1  VAL  48          3HG2      VAL  48  23.898   3.383   3.106
  373   1HG2  VAL  48          1HG1      VAL  48  26.808   3.389   5.396
  374   2HG2  VAL  48          2HG1      VAL  48  26.044   2.608   4.010
  375   3HG2  VAL  48          3HG1      VAL  48  26.844   4.179   3.801
  Start of MODEL    3
    1   1H    LEU   1          1H        LEU   1 -32.826  -5.052   0.834
    2   2H    LEU   1          2H        LEU   1 -31.163  -5.286   0.739
    3    HA   LEU   1           HA       LEU   1 -32.486  -2.895   1.832
    4   1HB   LEU   1          1HB       LEU   1 -29.596  -3.697   1.395
    5   2HB   LEU   1          2HB       LEU   1 -30.042  -2.000   1.314
    6    HG   LEU   1           HG       LEU   1 -29.138  -2.697   3.492
    7   1HD1  LEU   1          1HD1      LEU   1 -30.549  -0.690   3.266
    8   2HD1  LEU   1          2HD1      LEU   1 -31.994  -1.650   3.648
    9   3HD1  LEU   1          3HD1      LEU   1 -30.715  -1.451   4.856
   10   1HD2  LEU   1          1HD2      LEU   1 -30.184  -4.953   3.652
   11   2HD2  LEU   1          2HD2      LEU   1 -30.403  -3.952   5.097
   12   3HD2  LEU   1          3HD2      LEU   1 -31.754  -4.167   3.974
   13    H    GLU   2           H        GLU   2 -32.433  -0.996   0.463
   14    HA   GLU   2           HA       GLU   2 -33.140  -1.484  -2.206
   15   1HB   GLU   2          1HB       GLU   2 -33.399   0.851  -2.384
   16   2HB   GLU   2          2HB       GLU   2 -33.929   0.397  -0.769
   17   1HG   GLU   2          1HG       GLU   2 -31.306   1.729  -1.548
   18   2HG   GLU   2          2HG       GLU   2 -32.669   2.490  -0.729
   19    HE2  GLU   2           HE2      GLU   2 -31.979   0.639   2.321
   20    H    GLU   3           H        GLU   3 -32.146  -0.754  -4.093
   21    HA   GLU   3           HA       GLU   3 -29.478  -1.566  -4.273
   22   1HB   GLU   3          1HB       GLU   3 -29.848  -1.436  -6.719
   23   2HB   GLU   3          2HB       GLU   3 -31.316  -2.067  -5.948
   24   1HG   GLU   3          1HG       GLU   3 -32.180   0.272  -5.797
   25   2HG   GLU   3          2HG       GLU   3 -30.740   0.851  -6.599
   26    HE2  GLU   3           HE2      GLU   3 -33.496  -1.240  -8.787
   27    H    MET   4           H        MET   4 -29.943   0.958  -3.121
   28    HA   MET   4           HA       MET   4 -28.246   2.917  -4.487
   29   1HB   MET   4          1HB       MET   4 -29.297   2.743  -1.626
   30   2HB   MET   4          2HB       MET   4 -28.354   4.076  -2.275
   31   1HG   MET   4          1HG       MET   4 -30.055   4.556  -3.963
   32   2HG   MET   4          2HG       MET   4 -31.030   3.188  -3.415
   33   1HE   MET   4          1HE       MET   4 -32.251   6.031  -3.819
   34   2HE   MET   4          2HE       MET   4 -33.173   4.640  -3.197
   35   3HE   MET   4          3HE       MET   4 -33.232   6.199  -2.344
   36    H    MET   5           H        MET   5 -27.992   0.667  -1.755
   37    HA   MET   5           HA       MET   5 -25.192   1.027  -1.232
   38   1HB   MET   5          1HB       MET   5 -27.173  -1.202  -0.583
   39   2HB   MET   5          2HB       MET   5 -25.518  -1.102   0.041
   40   1HG   MET   5          1HG       MET   5 -26.014   1.046   1.121
   41   2HG   MET   5          2HG       MET   5 -27.643   1.042   0.451
   42   1HE   MET   5          1HE       MET   5 -25.179  -0.561   2.972
   43   2HE   MET   5          2HE       MET   5 -26.198  -1.721   3.854
   44   3HE   MET   5          3HE       MET   5 -25.716  -2.065   2.181
   45    H    THR   6           H        THR   6 -27.103  -1.064  -3.347
   46    HA   THR   6           HA       THR   6 -24.983  -2.855  -4.081
   47    HB   THR   6           HB       THR   6 -27.524  -2.177  -5.614
   48    HG1  THR   6           HG1      THR   6 -28.362  -3.943  -4.418
   49   1HG2  THR   6          1HG2      THR   6 -27.313  -4.509  -6.432
   50   2HG2  THR   6          2HG2      THR   6 -25.930  -3.522  -6.930
   51   3HG2  THR   6          3HG2      THR   6 -25.762  -4.666  -5.579
   52    H    ALA   7           H        ALA   7 -26.255   0.177  -5.382
   53    HA   ALA   7           HA       ALA   7 -24.536   0.269  -7.705
   54   1HB   ALA   7          1HB       ALA   7 -26.029   2.487  -6.249
   55   2HB   ALA   7          2HB       ALA   7 -25.260   2.620  -7.844
   56   3HB   ALA   7          3HB       ALA   7 -26.635   1.523  -7.613
   57    H    CYS   8           H        CYS   8 -24.424   1.735  -4.478
   58    HA   CYS   8           HA       CYS   8 -21.620   2.680  -4.915
   59   1HB   CYS   8          1HB       CYS   8 -23.783   3.693  -3.022
   60   2HB   CYS   8          2HB       CYS   8 -22.126   4.317  -3.155
   61    HG   CYS   8           HG       CYS   8 -22.284   4.862  -5.722
   62    H    GLN   9           H        GLN   9 -21.205   0.282  -4.498
   63    HA   GLN   9           HA       GLN   9 -21.292  -0.666  -1.761
   64   1HB   GLN   9          1HB       GLN   9 -19.809  -1.566  -4.264
   65   2HB   GLN   9          2HB       GLN   9 -19.736  -2.399  -2.702
   66   1HG   GLN   9          1HG       GLN   9 -22.162  -2.760  -2.724
   67   2HG   GLN   9          2HG       GLN   9 -22.292  -1.858  -4.241
   68   1HE2  GLN   9          2HE2      GLN   9 -22.662  -3.234  -5.920
   69   2HE2  GLN   9          1HE2      GLN   9 -21.893  -4.797  -6.129
   70    H    GLY  10           H        GLY  10 -20.431   1.387  -0.855
   71   1HA   GLY  10          1HA       GLY  10 -17.762   2.281  -1.174
   72   2HA   GLY  10          2HA       GLY  10 -18.774   2.501   0.264
   73    H    VAL  11           H        VAL  11 -19.174   0.123   1.351
   74    HA   VAL  11           HA       VAL  11 -18.347  -1.224   2.848
   75    HB   VAL  11           HB       VAL  11 -18.778  -2.438   0.928
   76   1HG1  VAL  11          1HG1      VAL  11 -16.957  -1.742  -0.534
   77   2HG1  VAL  11          2HG1      VAL  11 -15.785  -2.585   0.521
   78   3HG1  VAL  11          3HG1      VAL  11 -17.032  -3.508  -0.352
   79   1HG2  VAL  11          1HG2      VAL  11 -18.320  -3.547   3.095
   80   2HG2  VAL  11          2HG2      VAL  11 -17.770  -4.554   1.747
   81   3HG2  VAL  11          3HG2      VAL  11 -16.590  -3.638   2.703
   82    H    GLY  12           H        GLY  12 -17.346   0.999   3.091
   83   1HA   GLY  12          1HA       GLY  12 -15.435   1.294   4.882
   84   2HA   GLY  12          2HA       GLY  12 -14.385   0.913   3.501
   85    H    GLY  13           H        GLY  13 -15.702   2.132   1.404
   86   1HA   GLY  13          1HA       GLY  13 -16.352   4.137   0.479
   87   2HA   GLY  13          2HA       GLY  13 -16.121   4.997   2.011
   88    HA   PRO  14           HA       PRO  14 -12.508   5.210  -1.268
   89   1HB   PRO  14          1HB       PRO  14 -12.677   8.000  -1.701
   90   2HB   PRO  14          2HB       PRO  14 -13.460   6.738  -2.656
   91   1HG   PRO  14          1HG       PRO  14 -14.718   8.382  -0.488
   92   2HG   PRO  14          2HG       PRO  14 -15.377   7.956  -2.089
   93   1HD   PRO  14          1HD       PRO  14 -16.086   6.590   0.134
   94   2HD   PRO  14          2HD       PRO  14 -15.836   5.726  -1.409
   95    H    GLY  15           H        GLY  15 -13.363   7.836   0.870
   96   1HA   GLY  15          1HA       GLY  15 -10.924   8.849   1.677
   97   2HA   GLY  15          2HA       GLY  15 -12.328   8.775   2.755
   98    H    HIS  16           H        HIS  16 -12.514   5.940   3.066
   99    HA   HIS  16           HA       HIS  16 -10.223   5.477   4.882
  100   1HB   HIS  16          1HB       HIS  16 -12.558   5.075   5.688
  101   2HB   HIS  16          2HB       HIS  16 -12.780   3.889   4.393
  102    HD1  HIS  16           HD1      HIS  16 -10.200   4.408   7.220
  103    HD2  HIS  16           HD2      HIS  16 -12.379   1.376   5.249
  104    HE1  HIS  16           HE1      HIS  16  -9.585   2.184   8.329
  105    HE2  HIS  16           HE2      HIS  16 -10.911   0.321   7.163
  106    H    LYS  17           H        LYS  17 -11.451   4.274   1.805
  107    HA   LYS  17           HA       LYS  17  -9.764   1.952   1.613
  108   1HB   LYS  17          1HB       LYS  17 -11.214   3.734  -0.320
  109   2HB   LYS  17          2HB       LYS  17 -10.174   2.464  -0.895
  110   1HG   LYS  17          1HG       LYS  17 -12.334   1.922   1.165
  111   2HG   LYS  17          2HG       LYS  17 -12.698   1.932  -0.567
  112   1HD   LYS  17          1HD       LYS  17 -11.386   0.020  -0.993
  113   2HD   LYS  17          2HD       LYS  17 -10.432   0.203   0.479
  114   1HE   LYS  17          1HE       LYS  17 -11.957  -1.654   0.771
  115   2HE   LYS  17          2HE       LYS  17 -12.380  -0.344   1.881
  116   1HZ   LYS  17          1HZ       LYS  17 -14.115   0.295   0.297
  117   2HZ   LYS  17          2HZ       LYS  17 -13.741  -1.007  -0.642
  118   3HZ   LYS  17          3HZ       LYS  17 -14.311  -1.217   0.894
  119    H    ALA  18           H        ALA  18  -9.305   5.401   1.153
  120    HA   ALA  18           HA       ALA  18  -6.641   5.274   0.047
  121   1HB   ALA  18          1HB       ALA  18  -8.163   7.177  -0.334
  122   2HB   ALA  18          2HB       ALA  18  -8.164   7.537   1.403
  123   3HB   ALA  18          3HB       ALA  18  -6.665   7.694   0.470
  124    H    ARG  19           H        ARG  19  -8.096   5.459   3.360
  125    HA   ARG  19           HA       ARG  19  -5.626   6.015   4.709
  126   1HB   ARG  19          1HB       ARG  19  -8.073   6.173   5.509
  127   2HB   ARG  19          2HB       ARG  19  -7.959   4.451   5.871
  128   1HG   ARG  19          1HG       ARG  19  -5.952   4.897   7.300
  129   2HG   ARG  19          2HG       ARG  19  -6.145   6.633   6.998
  130   1HD   ARG  19          1HD       ARG  19  -8.171   4.801   8.353
  131   2HD   ARG  19          2HD       ARG  19  -7.112   5.973   9.161
  132    HE   ARG  19           HE       ARG  19  -8.545   7.399   7.212
  133   1HH1  ARG  19          1HH2      ARG  19  -9.211   5.665  10.237
  134   2HH1  ARG  19          2HH2      ARG  19 -10.625   6.614  10.616
  135   1HH2  ARG  19          1HH1      ARG  19 -10.396   8.642   7.724
  136   2HH2  ARG  19          2HH1      ARG  19 -11.295   8.323   9.184
  137    H    VAL  20           H        VAL  20  -7.376   3.095   3.835
  138    HA   VAL  20           HA       VAL  20  -5.661   1.158   5.096
  139    HB   VAL  20           HB       VAL  20  -7.708   0.980   2.867
  140   1HG1  VAL  20          1HG2      VAL  20  -6.187  -1.285   4.228
  141   2HG1  VAL  20          2HG2      VAL  20  -7.637  -1.498   3.224
  142   3HG1  VAL  20          3HG2      VAL  20  -6.154  -0.872   2.498
  143   1HG2  VAL  20          1HG1      VAL  20  -8.544   1.470   5.203
  144   2HG2  VAL  20          2HG1      VAL  20  -9.117  -0.074   4.555
  145   3HG2  VAL  20          3HG1      VAL  20  -7.796  -0.041   5.741
  146    H    LEU  21           H        LEU  21  -5.863   2.560   1.834
  147    HA   LEU  21           HA       LEU  21  -3.703   1.082   0.748
  148   1HB   LEU  21          1HB       LEU  21  -5.207   2.443  -0.684
  149   2HB   LEU  21          2HB       LEU  21  -4.577   3.922   0.060
  150    HG   LEU  21           HG       LEU  21  -2.256   3.297  -0.768
  151   1HD1  LEU  21          1HD2      LEU  21  -3.844   1.131  -2.229
  152   2HD1  LEU  21          2HD2      LEU  21  -2.180   1.608  -2.630
  153   3HD1  LEU  21          3HD2      LEU  21  -2.527   0.864  -1.068
  154   1HD2  LEU  21          1HD1      LEU  21  -3.643   4.899  -1.972
  155   2HD2  LEU  21          2HD1      LEU  21  -2.650   3.928  -3.074
  156   3HD2  LEU  21          3HD1      LEU  21  -4.386   3.573  -2.904
  157    H    ALA  22           H        ALA  22  -3.702   4.380   2.252
  158    HA   ALA  22           HA       ALA  22  -0.977   4.878   2.156
  159   1HB   ALA  22          1HB       ALA  22  -2.659   6.528   2.833
  160   2HB   ALA  22          2HB       ALA  22  -2.923   5.661   4.361
  161   3HB   ALA  22          3HB       ALA  22  -1.353   6.419   4.028
  162    H    GLU  23           H        GLU  23  -2.738   2.846   4.501
  163    HA   GLU  23           HA       GLU  23  -0.588   2.416   6.336
  164   1HB   GLU  23          1HB       GLU  23  -3.136   1.953   6.533
  165   2HB   GLU  23          2HB       GLU  23  -2.805   0.441   5.715
  166   1HG   GLU  23          1HG       GLU  23  -1.494   1.354   8.312
  167   2HG   GLU  23          2HG       GLU  23  -2.846   0.225   8.188
  168    HE2  GLU  23           HE2      GLU  23   0.780  -1.253   8.010
  169    H    ALA  24           H        ALA  24  -1.810   0.713   3.468
  170    HA   ALA  24           HA       ALA  24   0.066  -1.475   3.690
  171   1HB   ALA  24          1HB       ALA  24  -2.148  -1.731   2.579
  172   2HB   ALA  24          2HB       ALA  24  -1.641  -0.598   1.305
  173   3HB   ALA  24          3HB       ALA  24  -0.819  -2.160   1.482
  174    H    MET  25           H        MET  25   0.066   1.616   1.954
  175    HA   MET  25           HA       MET  25   2.516   1.004   0.504
  176   1HB   MET  25          1HB       MET  25   0.877   3.561   0.937
  177   2HB   MET  25          2HB       MET  25   2.255   3.434  -0.155
  178   1HG   MET  25          1HG       MET  25  -0.330   1.817  -0.422
  179   2HG   MET  25          2HG       MET  25   0.057   3.281  -1.259
  180   1HE   MET  25          1HE       MET  25   1.910   3.513  -3.062
  181   2HE   MET  25          2HE       MET  25   3.238   2.755  -2.146
  182   3HE   MET  25          3HE       MET  25   2.829   2.165  -3.768
  183    H    SER  26           H        SER  26   1.988   1.380   3.652
  184    HA   SER  26           HA       SER  26   4.564   2.811   4.148
  185   1HB   SER  26          1HB       SER  26   2.595   3.772   5.332
  186   2HB   SER  26          2HB       SER  26   2.329   2.207   6.130
  187    HG   SER  26           HG       SER  26   3.592   3.642   7.379
  188    H    GLN  27           H        GLN  27   2.588  -0.093   4.549
  189    HA   GLN  27           HA       GLN  27   4.468  -1.529   6.156
  190   1HB   GLN  27          1HB       GLN  27   1.899  -1.774   6.145
  191   2HB   GLN  27          2HB       GLN  27   2.033  -2.482   4.552
  192   1HG   GLN  27          1HG       GLN  27   1.774  -4.188   6.299
  193   2HG   GLN  27          2HG       GLN  27   3.253  -4.403   5.365
  194   1HE2  GLN  27          2HE2      GLN  27   5.321  -3.903   6.367
  195   2HE2  GLN  27          1HE2      GLN  27   5.462  -3.865   8.115
  196    H    VAL  28           H        VAL  28   3.481  -1.623   2.722
  197    HA   VAL  28           HA       VAL  28   5.010  -4.008   2.040
  198    HB   VAL  28           HB       VAL  28   3.693  -1.797   0.402
  199   1HG1  VAL  28          1HG2      VAL  28   4.879  -4.452  -0.525
  200   2HG1  VAL  28          2HG2      VAL  28   3.852  -3.397  -1.518
  201   3HG1  VAL  28          3HG2      VAL  28   5.437  -2.828  -0.982
  202   1HG2  VAL  28          1HG1      VAL  28   2.158  -3.304   1.776
  203   2HG2  VAL  28          2HG1      VAL  28   1.898  -3.358   0.027
  204   3HG2  VAL  28          3HG1      VAL  28   2.787  -4.667   0.847
  205    H    THR  29           H        THR  29   5.323  -0.422   1.511
  206    HA   THR  29           HA       THR  29   7.760  -0.290   0.399
  207    HB   THR  29           HB       THR  29   6.217   1.475   2.389
  208    HG1  THR  29           HG1      THR  29   5.048   2.079   0.514
  209   1HG2  THR  29          1HG2      THR  29   7.780   2.102  -0.094
  210   2HG2  THR  29          2HG2      THR  29   6.892   3.263   0.959
  211   3HG2  THR  29          3HG2      THR  29   8.328   2.380   1.611
  212    H    ASN  30           H        ASN  30   6.835  -0.715   3.821
  213    HA   ASN  30           HA       ASN  30   9.495  -0.361   4.877
  214   1HB   ASN  30          1HB       ASN  30   7.298  -0.422   6.265
  215   2HB   ASN  30          2HB       ASN  30   7.396  -2.155   6.094
  216   1HD2  ASN  30          2HD2      ASN  30   9.784   0.436   6.947
  217   2HD2  ASN  30          1HD2      ASN  30  10.436  -0.457   8.303
  218    H    SER  31           H        SER  31   7.525  -3.118   3.870
  219    HA   SER  31           HA       SER  31   9.291  -5.193   4.688
  220   1HB   SER  31          1HB       SER  31   7.912  -6.703   3.569
  221   2HB   SER  31          2HB       SER  31   6.808  -5.387   3.990
  222    HG   SER  31           HG       SER  31   8.046  -5.836   1.476
  223    H    ALA  32           H        ALA  32   9.077  -3.238   1.791
  224    HA   ALA  32           HA       ALA  32  11.227  -4.582   0.338
  225   1HB   ALA  32          1HB       ALA  32   9.471  -3.323  -0.840
  226   2HB   ALA  32          2HB       ALA  32   9.998  -1.821  -0.045
  227   3HB   ALA  32          3HB       ALA  32  11.084  -2.660  -1.176
  228    H    THR  33           H        THR  33  10.988  -1.880   2.688
  229    HA   THR  33           HA       THR  33  13.719  -1.038   2.330
  230    HB   THR  33           HB       THR  33  11.501  -0.133   3.831
  231    HG1  THR  33           HG1      THR  33  12.896   1.593   4.212
  232   1HG2  THR  33          1HG2      THR  33  13.801  -0.664   5.769
  233   2HG2  THR  33          2HG2      THR  33  12.325   0.261   6.085
  234   3HG2  THR  33          3HG2      THR  33  12.233  -1.476   5.845
  235    H    ILE  34           H        ILE  34  12.115  -3.588   4.166
  236    HA   ILE  34           HA       ILE  34  14.447  -4.236   5.762
  237    HB   ILE  34           HB       ILE  34  12.090  -6.000   5.068
  238   1HG1  ILE  34          1HG1      ILE  34  11.305  -4.115   6.388
  239   2HG1  ILE  34          2HG1      ILE  34  11.350  -5.559   7.379
  240   1HG2  ILE  34          1HG2      ILE  34  14.401  -6.286   6.994
  241   2HG2  ILE  34          2HG2      ILE  34  12.932  -7.264   7.136
  242   3HG2  ILE  34          3HG2      ILE  34  13.953  -7.403   5.700
  243   1HD1  ILE  34          1HD1      ILE  34  13.487  -4.754   8.419
  244   2HD1  ILE  34          2HD1      ILE  34  13.365  -3.266   7.448
  245   3HD1  ILE  34          3HD1      ILE  34  12.126  -3.647   8.647
  246    H    MET  35           H        MET  35  13.284  -5.103   2.479
  247    HA   MET  35           HA       MET  35  15.267  -7.180   2.023
  248   1HB   MET  35          1HB       MET  35  14.127  -7.781   0.420
  249   2HB   MET  35          2HB       MET  35  12.909  -6.695   1.074
  250   1HG   MET  35          1HG       MET  35  12.975  -6.162  -0.926
  251   2HG   MET  35          2HG       MET  35  14.069  -4.896  -0.442
  252   1HE   MET  35          1HE       MET  35  13.760  -5.374  -3.461
  253   2HE   MET  35          2HE       MET  35  14.998  -4.283  -2.790
  254   3HE   MET  35          3HE       MET  35  15.444  -5.483  -4.026
  255    H    MET  36           H        MET  36  15.073  -3.624   1.432
  256    HA   MET  36           HA       MET  36  17.439  -3.580  -0.186
  257   1HB   MET  36          1HB       MET  36  16.913  -1.387  -0.500
  258   2HB   MET  36          2HB       MET  36  15.364  -1.945   0.082
  259   1HG   MET  36          1HG       MET  36  15.605  -0.067   1.249
  260   2HG   MET  36          2HG       MET  36  16.242  -1.172   2.430
  261   1HE   MET  36          1HE       MET  36  16.633   1.895   2.702
  262   2HE   MET  36          2HE       MET  36  17.310   0.711   3.847
  263   3HE   MET  36          3HE       MET  36  18.347   1.990   3.172
  264    H    GLN  37           H        GLN  37  16.705  -3.202   3.243
  265    HA   GLN  37           HA       GLN  37  19.232  -2.509   4.288
  266   1HB   GLN  37          1HB       GLN  37  17.114  -2.105   5.380
  267   2HB   GLN  37          2HB       GLN  37  16.666  -3.814   5.270
  268   1HG   GLN  37          1HG       GLN  37  18.457  -4.400   6.776
  269   2HG   GLN  37          2HG       GLN  37  18.798  -2.645   6.985
  270   1HE2  GLN  37          2HE2      GLN  37  16.844  -1.308   7.731
  271   2HE2  GLN  37          1HE2      GLN  37  15.718  -2.058   8.843
  272    H    ARG  38           H        ARG  38  17.535  -5.559   3.576
  273    HA   ARG  38           HA       ARG  38  19.750  -7.332   4.335
  274   1HB   ARG  38          1HB       ARG  38  16.979  -7.471   3.416
  275   2HB   ARG  38          2HB       ARG  38  17.830  -8.795   2.808
  276   1HG   ARG  38          1HG       ARG  38  16.925  -9.567   4.839
  277   2HG   ARG  38          2HG       ARG  38  18.657  -9.362   5.132
  278   1HD   ARG  38          1HD       ARG  38  18.162  -7.186   6.293
  279   2HD   ARG  38          2HD       ARG  38  16.436  -7.456   5.967
  280    HE   ARG  38           HE       ARG  38  17.686  -9.674   7.335
  281   1HH1  ARG  38          1HH1      ARG  38  16.232  -6.468   7.929
  282   2HH1  ARG  38          2HH1      ARG  38  15.550  -6.944   9.457
  283   1HH2  ARG  38          1HH2      ARG  38  16.871 -10.219   9.388
  284   2HH2  ARG  38          2HH2      ARG  38  15.973  -9.050  10.321
  285    H    GLY  39           H        GLY  39  20.644  -5.525   2.800
  286   1HA   GLY  39          1HA       GLY  39  21.882  -6.912   0.543
  287   2HA   GLY  39          2HA       GLY  39  20.867  -5.535   0.061
  288    H    ASN  40           H        ASN  40  21.197  -3.593   1.593
  289    HA   ASN  40           HA       ASN  40  22.586  -1.761   1.672
  290   1HB   ASN  40          1HB       ASN  40  23.224  -1.552   3.970
  291   2HB   ASN  40          2HB       ASN  40  21.687  -2.399   3.821
  292   1HD2  ASN  40          2HD2      ASN  40  22.779  -2.601   6.216
  293   2HD2  ASN  40          1HD2      ASN  40  23.533  -4.161   6.471
  294    H    PHE  41           H        PHE  41  24.018  -3.142  -0.127
  295    HA   PHE  41           HA       PHE  41  26.686  -2.118   0.156
  296   1HB   PHE  41          1HB       PHE  41  26.940  -4.131   1.572
  297   2HB   PHE  41          2HB       PHE  41  26.282  -5.150   0.319
  298    HD1  PHE  41           HD1      PHE  41  27.682  -6.012  -1.441
  299    HD2  PHE  41           HD2      PHE  41  29.134  -2.867   1.130
  300    HE1  PHE  41           HE1      PHE  41  29.943  -6.244  -2.428
  301    HE2  PHE  41           HE2      PHE  41  31.396  -3.107   0.139
  302    HZ   PHE  41           HZ       PHE  41  31.803  -4.794  -1.641
  303    H    ARG  42           H        ARG  42  25.000  -4.887  -1.289
  304    HA   ARG  42           HA       ARG  42  25.791  -4.365  -4.012
  305   1HB   ARG  42          1HB       ARG  42  25.124  -6.577  -2.937
  306   2HB   ARG  42          2HB       ARG  42  23.473  -6.004  -2.924
  307   1HG   ARG  42          1HG       ARG  42  23.749  -7.445  -4.814
  308   2HG   ARG  42          2HG       ARG  42  23.488  -5.803  -5.409
  309   1HD   ARG  42          1HD       ARG  42  25.874  -5.543  -5.889
  310   2HD   ARG  42          2HD       ARG  42  26.249  -7.096  -5.134
  311    HE   ARG  42           HE       ARG  42  25.183  -6.553  -7.792
  312   1HH1  ARG  42          1HH1      ARG  42  25.412  -9.054  -5.277
  313   2HH1  ARG  42          2HH1      ARG  42  25.213 -10.374  -6.401
  314   1HH2  ARG  42          1HH2      ARG  42  24.914  -8.292  -9.244
  315   2HH2  ARG  42          2HH2      ARG  42  24.921  -9.937  -8.664
  316    H    ASN  43           H        ASN  43  23.022  -3.827  -1.966
  317    HA   ASN  43           HA       ASN  43  21.155  -2.794  -3.867
  318   1HB   ASN  43          1HB       ASN  43  20.536  -3.823  -1.698
  319   2HB   ASN  43          2HB       ASN  43  21.332  -2.497  -0.838
  320   1HD2  ASN  43          2HD2      ASN  43  18.692  -3.240  -3.158
  321   2HD2  ASN  43          1HD2      ASN  43  17.672  -1.896  -2.701
  322    H    GLN  44           H        GLN  44  23.648  -1.329  -1.830
  323    HA   GLN  44           HA       GLN  44  22.864   1.223  -1.782
  324   1HB   GLN  44          1HB       GLN  44  25.592  -0.001  -1.684
  325   2HB   GLN  44          2HB       GLN  44  25.322   1.690  -1.274
  326   1HG   GLN  44          1HG       GLN  44  23.607  -0.460   0.037
  327   2HG   GLN  44          2HG       GLN  44  25.247  -0.126   0.533
  328   1HE2  GLN  44          2HE2      GLN  44  24.112   0.380   2.627
  329   2HE2  GLN  44          1HE2      GLN  44  23.477   1.998   2.843
  330    H    ARG  45           H        ARG  45  24.505   3.026  -2.643
  331    HA   ARG  45           HA       ARG  45  24.958   4.446  -4.337
  332   1HB   ARG  45          1HB       ARG  45  26.723   2.668  -4.758
  333   2HB   ARG  45          2HB       ARG  45  25.671   2.015  -6.020
  334   1HG   ARG  45          1HG       ARG  45  25.717   4.354  -7.092
  335   2HG   ARG  45          2HG       ARG  45  26.901   4.805  -5.856
  336   1HD   ARG  45          1HD       ARG  45  28.056   4.190  -7.901
  337   2HD   ARG  45          2HD       ARG  45  28.393   2.971  -6.653
  338    HE   ARG  45           HE       ARG  45  26.109   2.190  -8.187
  339   1HH1  ARG  45          1HH1      ARG  45  29.630   2.477  -8.520
  340   2HH1  ARG  45          2HH1      ARG  45  29.749   1.208  -9.711
  341   1HH2  ARG  45          1HH2      ARG  45  26.275   0.524  -9.743
  342   2HH2  ARG  45          2HH2      ARG  45  27.827   0.093 -10.414
  343    H    LYS  46           H        LYS  46  22.383   4.331  -3.985
  344    HA   LYS  46           HA       LYS  46  20.841   3.720  -6.423
  345   1HB   LYS  46          1HB       LYS  46  20.708   2.431  -4.279
  346   2HB   LYS  46          2HB       LYS  46  20.178   3.884  -3.482
  347   1HG   LYS  46          1HG       LYS  46  18.322   3.859  -5.468
  348   2HG   LYS  46          2HG       LYS  46  18.827   2.177  -5.609
  349   1HD   LYS  46          1HD       LYS  46  17.783   3.557  -3.091
  350   2HD   LYS  46          2HD       LYS  46  16.872   2.440  -4.122
  351   1HE   LYS  46          1HE       LYS  46  18.474   0.618  -3.577
  352   2HE   LYS  46          2HE       LYS  46  19.385   1.720  -2.527
  353   1HZ   LYS  46          1HZ       LYS  46  17.459   1.971  -1.171
  354   2HZ   LYS  46          2HZ       LYS  46  16.599   0.928  -2.120
  355   3HZ   LYS  46          3HZ       LYS  46  17.922   0.395  -1.286
  356    H    ILE  47           H        ILE  47  19.341   5.257  -4.571
  357    HA   ILE  47           HA       ILE  47  19.937   8.127  -5.143
  358    HB   ILE  47           HB       ILE  47  17.200   6.812  -5.460
  359   1HG1  ILE  47          1HG1      ILE  47  18.624   6.347  -7.411
  360   2HG1  ILE  47          2HG1      ILE  47  17.260   7.386  -7.794
  361   1HG2  ILE  47          1HG2      ILE  47  18.013   9.735  -5.644
  362   2HG2  ILE  47          2HG2      ILE  47  16.476   9.090  -6.263
  363   3HG2  ILE  47          3HG2      ILE  47  16.842   8.991  -4.540
  364   1HD1  ILE  47          1HD1      ILE  47  20.123   8.365  -7.397
  365   2HD1  ILE  47          2HD1      ILE  47  19.298   8.117  -8.941
  366   3HD1  ILE  47          3HD1      ILE  47  18.724   9.371  -7.834
  367    H    VAL  48           H        VAL  48  19.460   9.486  -3.419
  368    HA   VAL  48           HA       VAL  48  19.117   8.225  -0.819
  369    HB   VAL  48           HB       VAL  48  19.349  11.152  -1.641
  370   1HG1  VAL  48          1HG1      VAL  48  19.569   9.815   1.095
  371   2HG1  VAL  48          2HG1      VAL  48  19.953  11.514   0.745
  372   3HG1  VAL  48          3HG1      VAL  48  18.291  10.937   0.578
  373   1HG2  VAL  48          1HG2      VAL  48  21.428   9.184  -0.582
  374   2HG2  VAL  48          2HG2      VAL  48  21.382   9.872  -2.219
  375   3HG2  VAL  48          3HG2      VAL  48  21.687  10.923  -0.831
  Start of MODEL    4
    1   1H    LEU   1          1H        LEU   1 -35.807  -2.420  -3.107
    2   2H    LEU   1          2H        LEU   1 -36.847  -3.608  -3.684
    3    HA   LEU   1           HA       LEU   1 -35.972  -5.242  -2.501
    4   1HB   LEU   1          1HB       LEU   1 -33.695  -5.330  -2.888
    5   2HB   LEU   1          2HB       LEU   1 -34.302  -4.237  -4.126
    6    HG   LEU   1           HG       LEU   1 -32.819  -3.444  -1.562
    7   1HD1  LEU   1          1HD1      LEU   1 -31.425  -4.588  -3.235
    8   2HD1  LEU   1          2HD1      LEU   1 -31.946  -3.424  -4.473
    9   3HD1  LEU   1          3HD1      LEU   1 -30.988  -2.879  -3.080
   10   1HD2  LEU   1          1HD2      LEU   1 -33.851  -1.722  -3.860
   11   2HD2  LEU   1          2HD2      LEU   1 -34.273  -1.581  -2.134
   12   3HD2  LEU   1          3HD2      LEU   1 -32.643  -1.191  -2.673
   13    H    GLU   2           H        GLU   2 -34.426  -6.009  -0.701
   14    HA   GLU   2           HA       GLU   2 -35.152  -4.750   1.818
   15   1HB   GLU   2          1HB       GLU   2 -33.387  -7.123   1.077
   16   2HB   GLU   2          2HB       GLU   2 -33.779  -6.611   2.728
   17   1HG   GLU   2          1HG       GLU   2 -36.197  -6.926   2.262
   18   2HG   GLU   2          2HG       GLU   2 -35.809  -7.492   0.627
   19    HE2  GLU   2           HE2      GLU   2 -36.280 -10.474   2.608
   20    H    GLU   3           H        GLU   3 -34.175  -2.670   1.216
   21    HA   GLU   3           HA       GLU   3 -31.420  -2.413   0.847
   22   1HB   GLU   3          1HB       GLU   3 -31.904   0.018   0.822
   23   2HB   GLU   3          2HB       GLU   3 -33.224  -0.837   0.000
   24   1HG   GLU   3          1HG       GLU   3 -34.441  -0.961   2.173
   25   2HG   GLU   3          2HG       GLU   3 -33.156  -0.074   2.944
   26    HE2  GLU   3           HE2      GLU   3 -34.029   3.028   1.406
   27    H    MET   4           H        MET   4 -32.227  -3.524   3.269
   28    HA   MET   4           HA       MET   4 -31.116  -2.107   5.539
   29   1HB   MET   4          1HB       MET   4 -31.742  -5.054   5.065
   30   2HB   MET   4          2HB       MET   4 -31.142  -4.359   6.572
   31   1HG   MET   4          1HG       MET   4 -33.418  -4.427   6.919
   32   2HG   MET   4          2HG       MET   4 -33.145  -2.748   6.482
   33   1HE   MET   4          1HE       MET   4 -36.016  -3.936   6.622
   34   2HE   MET   4          2HE       MET   4 -35.672  -2.282   6.059
   35   3HE   MET   4          3HE       MET   4 -36.733  -3.344   5.106
   36    H    MET   5           H        MET   5 -30.019  -4.776   3.454
   37    HA   MET   5           HA       MET   5 -27.331  -4.909   4.380
   38   1HB   MET   5          1HB       MET   5 -26.978  -6.454   2.700
   39   2HB   MET   5          2HB       MET   5 -28.615  -6.734   3.315
   40   1HG   MET   5          1HG       MET   5 -29.409  -5.206   1.457
   41   2HG   MET   5          2HG       MET   5 -27.770  -5.285   0.813
   42   1HE   MET   5          1HE       MET   5 -26.658  -7.415  -0.175
   43   2HE   MET   5          2HE       MET   5 -26.987  -8.404   1.270
   44   3HE   MET   5          3HE       MET   5 -27.448  -8.999  -0.339
   45    H    THR   6           H        THR   6 -28.992  -2.975   1.975
   46    HA   THR   6           HA       THR   6 -26.638  -1.982   0.651
   47    HB   THR   6           HB       THR   6 -29.411  -0.735   0.779
   48    HG1  THR   6           HG1      THR   6 -29.732  -1.971  -1.122
   49   1HG2  THR   6          1HG2      THR   6 -28.799   0.154  -1.447
   50   2HG2  THR   6          2HG2      THR   6 -27.701   0.754  -0.193
   51   3HG2  THR   6          3HG2      THR   6 -27.174  -0.548  -1.284
   52    H    ALA   7           H        ALA   7 -28.662  -0.896   3.350
   53    HA   ALA   7           HA       ALA   7 -27.313   1.590   3.813
   54   1HB   ALA   7          1HB       ALA   7 -29.556   1.158   4.678
   55   2HB   ALA   7          2HB       ALA   7 -28.931  -0.111   5.748
   56   3HB   ALA   7          3HB       ALA   7 -28.432   1.573   5.986
   57    H    CYS   8           H        CYS   8 -27.123  -1.465   5.651
   58    HA   CYS   8           HA       CYS   8 -24.479  -0.658   6.722
   59   1HB   CYS   8          1HB       CYS   8 -24.692  -2.519   8.261
   60   2HB   CYS   8          2HB       CYS   8 -26.140  -1.502   8.313
   61    HG   CYS   8           HG       CYS   8 -26.775  -4.000   8.644
   62    H    GLN   9           H        GLN   9 -24.129  -0.816   4.204
   63    HA   GLN   9           HA       GLN   9 -23.235  -3.441   3.299
   64   1HB   GLN   9          1HB       GLN   9 -24.229  -1.699   1.838
   65   2HB   GLN   9          2HB       GLN   9 -22.808  -0.675   2.089
   66   1HG   GLN   9          1HG       GLN   9 -21.362  -2.396   1.067
   67   2HG   GLN   9          2HG       GLN   9 -22.744  -3.494   0.909
   68   1HE2  GLN   9          2HE2      GLN   9 -24.709  -2.443  -0.315
   69   2HE2  GLN   9          1HE2      GLN   9 -24.286  -1.583  -1.781
   70    H    GLY  10           H        GLY  10 -21.800  -0.461   4.557
   71   1HA   GLY  10          1HA       GLY  10 -19.715  -0.010   5.434
   72   2HA   GLY  10          2HA       GLY  10 -19.322  -1.738   5.370
   73    H    VAL  11           H        VAL  11 -20.260   0.704   2.901
   74    HA   VAL  11           HA       VAL  11 -18.495  -0.371   0.924
   75    HB   VAL  11           HB       VAL  11 -20.679   0.488   0.438
   76   1HG1  VAL  11          1HG1      VAL  11 -20.588   2.461   1.932
   77   2HG1  VAL  11          2HG1      VAL  11 -19.422   3.211   0.808
   78   3HG1  VAL  11          3HG1      VAL  11 -21.074   2.833   0.257
   79   1HG2  VAL  11          1HG2      VAL  11 -18.965   0.228  -1.334
   80   2HG2  VAL  11          2HG2      VAL  11 -20.052   1.587  -1.661
   81   3HG2  VAL  11          3HG2      VAL  11 -18.414   1.894  -1.052
   82    H    GLY  12           H        GLY  12 -18.420   2.431   3.056
   83   1HA   GLY  12          1HA       GLY  12 -16.501   3.439   3.947
   84   2HA   GLY  12          2HA       GLY  12 -15.495   2.724   2.683
   85    H    GLY  13           H        GLY  13 -17.238   3.537   0.491
   86   1HA   GLY  13          1HA       GLY  13 -18.026   5.518  -0.562
   87   2HA   GLY  13          2HA       GLY  13 -16.906   6.517   0.381
   88    HA   PRO  14           HA       PRO  14 -15.103   4.725  -3.712
   89   1HB   PRO  14          1HB       PRO  14 -15.246   7.004  -5.353
   90   2HB   PRO  14          2HB       PRO  14 -16.438   5.702  -5.266
   91   1HG   PRO  14          1HG       PRO  14 -16.599   8.390  -3.944
   92   2HG   PRO  14          2HG       PRO  14 -17.882   7.447  -4.731
   93   1HD   PRO  14          1HD       PRO  14 -17.537   7.512  -2.007
   94   2HD   PRO  14          2HD       PRO  14 -18.172   6.076  -2.860
   95    H    GLY  15           H        GLY  15 -14.767   8.186  -3.227
   96   1HA   GLY  15          1HA       GLY  15 -12.040   8.557  -3.631
   97   2HA   GLY  15          2HA       GLY  15 -13.032   9.563  -2.563
   98    H    HIS  16           H        HIS  16 -13.679   7.436  -0.664
   99    HA   HIS  16           HA       HIS  16 -11.223   7.501   0.904
  100   1HB   HIS  16          1HB       HIS  16 -13.427   7.945   1.952
  101   2HB   HIS  16          2HB       HIS  16 -14.015   6.372   1.401
  102    HD1  HIS  16           HD1      HIS  16 -14.467   5.226   3.591
  103    HD2  HIS  16           HD2      HIS  16 -10.640   6.996   3.404
  104    HE1  HIS  16           HE1      HIS  16 -13.164   4.451   5.661
  105    HE2  HIS  16           HE2      HIS  16 -10.828   5.515   5.570
  106    H    LYS  17           H        LYS  17 -13.011   5.017  -0.948
  107    HA   LYS  17           HA       LYS  17 -11.466   2.831   0.035
  108   1HB   LYS  17          1HB       LYS  17 -13.587   2.640  -1.306
  109   2HB   LYS  17          2HB       LYS  17 -12.691   3.189  -2.714
  110   1HG   LYS  17          1HG       LYS  17 -12.932   0.764  -2.729
  111   2HG   LYS  17          2HG       LYS  17 -11.240   1.233  -2.650
  112   1HD   LYS  17          1HD       LYS  17 -11.804  -0.705  -1.195
  113   2HD   LYS  17          2HD       LYS  17 -11.070   0.631  -0.319
  114   1HE   LYS  17          1HE       LYS  17 -12.938  -0.375   0.940
  115   2HE   LYS  17          2HE       LYS  17 -13.271   1.316   0.565
  116   1HZ   LYS  17          1HZ       LYS  17 -14.606   0.544  -1.293
  117   2HZ   LYS  17          2HZ       LYS  17 -14.347  -1.025  -0.852
  118   3HZ   LYS  17          3HZ       LYS  17 -15.171   0.000   0.149
  119    H    ALA  18           H        ALA  18 -11.011   5.315  -2.420
  120    HA   ALA  18           HA       ALA  18  -8.540   4.323  -3.530
  121   1HB   ALA  18          1HB       ALA  18 -10.055   5.818  -4.768
  122   2HB   ALA  18          2HB       ALA  18  -9.766   7.107  -3.583
  123   3HB   ALA  18          3HB       ALA  18  -8.431   6.520  -4.589
  124    H    ARG  19           H        ARG  19  -9.457   6.499  -0.779
  125    HA   ARG  19           HA       ARG  19  -6.751   7.396  -0.383
  126   1HB   ARG  19          1HB       ARG  19  -8.722   8.623   0.461
  127   2HB   ARG  19          2HB       ARG  19  -9.074   7.285   1.565
  128   1HG   ARG  19          1HG       ARG  19  -7.996   9.136   2.719
  129   2HG   ARG  19          2HG       ARG  19  -7.007   7.673   2.804
  130   1HD   ARG  19          1HD       ARG  19  -5.505   8.531   1.073
  131   2HD   ARG  19          2HD       ARG  19  -6.568   9.935   0.804
  132    HE   ARG  19           HE       ARG  19  -5.868   9.923   3.524
  133   1HH1  ARG  19          1HH2      ARG  19  -4.218  10.261   0.399
  134   2HH1  ARG  19          2HH2      ARG  19  -2.929  11.245   1.042
  135   1HH2  ARG  19          1HH1      ARG  19  -4.171  11.219   4.356
  136   2HH2  ARG  19          2HH1      ARG  19  -2.905  11.794   3.303
  137    H    VAL  20           H        VAL  20  -8.669   4.683   0.800
  138    HA   VAL  20           HA       VAL  20  -6.772   3.741   2.767
  139    HB   VAL  20           HB       VAL  20  -9.167   2.494   1.392
  140   1HG1  VAL  20          1HG2      VAL  20  -7.394   1.264   3.545
  141   2HG1  VAL  20          2HG2      VAL  20  -9.002   0.662   3.091
  142   3HG1  VAL  20          3HG2      VAL  20  -7.687   0.619   1.913
  143   1HG2  VAL  20          1HG1      VAL  20  -9.547   4.304   3.124
  144   2HG2  VAL  20          2HG1      VAL  20 -10.230   2.733   3.574
  145   3HG2  VAL  20          3HG1      VAL  20  -8.708   3.287   4.303
  146    H    LEU  21           H        LEU  21  -7.435   3.015  -0.663
  147    HA   LEU  21           HA       LEU  21  -5.438   0.982  -0.901
  148   1HB   LEU  21          1HB       LEU  21  -7.151   1.346  -2.643
  149   2HB   LEU  21          2HB       LEU  21  -6.541   2.982  -2.916
  150    HG   LEU  21           HG       LEU  21  -4.291   1.960  -3.635
  151   1HD1  LEU  21          1HD1      LEU  21  -5.962  -0.605  -3.579
  152   2HD1  LEU  21          2HD1      LEU  21  -4.366  -0.420  -4.332
  153   3HD1  LEU  21          3HD1      LEU  21  -4.531  -0.279  -2.577
  154   1HD2  LEU  21          1HD2      LEU  21  -6.823   1.235  -5.141
  155   2HD2  LEU  21          2HD2      LEU  21  -5.979   2.802  -5.176
  156   3HD2  LEU  21          3HD2      LEU  21  -5.181   1.354  -5.832
  157    H    ALA  22           H        ALA  22  -5.321   4.565  -1.518
  158    HA   ALA  22           HA       ALA  22  -2.648   4.725  -2.275
  159   1HB   ALA  22          1HB       ALA  22  -4.235   6.590  -2.432
  160   2HB   ALA  22          2HB       ALA  22  -4.246   6.753  -0.662
  161   3HB   ALA  22          3HB       ALA  22  -2.760   7.075  -1.575
  162    H    GLU  23           H        GLU  23  -4.007   4.486   1.017
  163    HA   GLU  23           HA       GLU  23  -1.611   5.043   2.468
  164   1HB   GLU  23          1HB       GLU  23  -4.049   4.966   3.281
  165   2HB   GLU  23          2HB       GLU  23  -3.894   3.228   3.324
  166   1HG   GLU  23          1HG       GLU  23  -2.044   5.114   4.840
  167   2HG   GLU  23          2HG       GLU  23  -3.488   4.364   5.527
  168    HE2  GLU  23           HE2      GLU  23  -0.205   2.367   5.893
  169    H    ALA  24           H        ALA  24  -3.222   2.082   1.366
  170    HA   ALA  24           HA       ALA  24  -1.279   0.299   2.534
  171   1HB   ALA  24          1HB       ALA  24  -3.616  -0.434   2.038
  172   2HB   ALA  24          2HB       ALA  24  -3.297  -0.240   0.295
  173   3HB   ALA  24          3HB       ALA  24  -2.420  -1.466   1.223
  174    H    MET  25           H        MET  25  -1.641   1.785  -0.659
  175    HA   MET  25           HA       MET  25   0.253   0.136  -2.049
  176   1HB   MET  25          1HB       MET  25  -0.875   2.937  -2.470
  177   2HB   MET  25          2HB       MET  25   0.318   2.224  -3.557
  178   1HG   MET  25          1HG       MET  25  -2.316   0.852  -2.902
  179   2HG   MET  25          2HG       MET  25  -2.106   1.999  -4.207
  180   1HE   MET  25          1HE       MET  25  -0.868   1.563  -6.385
  181   2HE   MET  25          2HE       MET  25   0.700   1.229  -5.608
  182   3HE   MET  25          3HE       MET  25   0.034   0.086  -6.790
  183    H    SER  26           H        SER  26   0.364   3.406  -0.601
  184    HA   SER  26           HA       SER  26   3.088   3.908  -0.773
  185   1HB   SER  26          1HB       SER  26   1.423   5.537   0.026
  186   2HB   SER  26          2HB       SER  26   1.259   4.639   1.549
  187    HG   SER  26           HG       SER  26   2.730   6.383   1.699
  188    H    GLN  27           H        GLN  27   1.432   1.934   1.669
  189    HA   GLN  27           HA       GLN  27   3.712   1.577   3.372
  190   1HB   GLN  27          1HB       GLN  27   1.173   1.506   3.906
  191   2HB   GLN  27          2HB       GLN  27   1.155  -0.084   3.168
  192   1HG   GLN  27          1HG       GLN  27   2.760  -0.904   4.870
  193   2HG   GLN  27          2HG       GLN  27   2.891   0.733   5.538
  194   1HE2  GLN  27          2HE2      GLN  27   0.835  -2.134   5.278
  195   2HE2  GLN  27          1HE2      GLN  27  -0.366  -1.613   6.441
  196    H    VAL  28           H        VAL  28   2.190  -0.342   0.797
  197    HA   VAL  28           HA       VAL  28   3.624  -2.812   1.286
  198    HB   VAL  28           HB       VAL  28   1.987  -1.720  -1.019
  199   1HG1  VAL  28          1HG2      VAL  28   3.156  -4.512  -0.694
  200   2HG1  VAL  28          2HG2      VAL  28   1.893  -4.070  -1.863
  201   3HG1  VAL  28          3HG2      VAL  28   3.505  -3.357  -1.999
  202   1HG2  VAL  28          1HG1      VAL  28   0.961  -2.436   1.344
  203   2HG2  VAL  28          2HG1      VAL  28   0.174  -2.883  -0.181
  204   3HG2  VAL  28          3HG1      VAL  28   1.177  -4.056   0.703
  205    H    THR  29           H        THR  29   3.770  -0.182  -1.213
  206    HA   THR  29           HA       THR  29   6.023  -0.847  -2.549
  207    HB   THR  29           HB       THR  29   4.569   1.741  -1.791
  208    HG1  THR  29           HG1      THR  29   4.200  -0.158  -3.902
  209   1HG2  THR  29          1HG2      THR  29   5.083   2.511  -3.934
  210   2HG2  THR  29          2HG2      THR  29   6.553   2.243  -2.917
  211   3HG2  THR  29          3HG2      THR  29   6.115   1.052  -4.222
  212    H    ASN  30           H        ASN  30   5.625   0.869   0.561
  213    HA   ASN  30           HA       ASN  30   8.373   1.717   0.775
  214   1HB   ASN  30          1HB       ASN  30   6.358   2.496   2.210
  215   2HB   ASN  30          2HB       ASN  30   6.679   1.079   3.187
  216   1HD2  ASN  30          2HD2      ASN  30   8.995   0.818   4.010
  217   2HD2  ASN  30          1HD2      ASN  30   9.832   2.289   4.457
  218    H    SER  31           H        SER  31   6.505  -1.065   1.881
  219    HA   SER  31           HA       SER  31   8.596  -2.377   3.340
  220   1HB   SER  31          1HB       SER  31   6.147  -2.872   3.612
  221   2HB   SER  31          2HB       SER  31   6.169  -3.691   2.037
  222    HG   SER  31           HG       SER  31   7.879  -5.014   2.939
  223    H    ALA  32           H        ALA  32   7.870  -2.126  -0.041
  224    HA   ALA  32           HA       ALA  32   9.846  -4.221  -0.791
  225   1HB   ALA  32          1HB       ALA  32   7.799  -4.129  -2.040
  226   2HB   ALA  32          2HB       ALA  32   8.154  -2.448  -2.534
  227   3HB   ALA  32          3HB       ALA  32   9.222  -3.786  -3.046
  228    H    THR  33           H        THR  33   9.600  -0.668  -0.464
  229    HA   THR  33           HA       THR  33  11.992  -0.064  -1.905
  230    HB   THR  33           HB       THR  33  10.068   1.438  -0.574
  231    HG1  THR  33           HG1      THR  33  12.577   2.249  -1.566
  232   1HG2  THR  33          1HG2      THR  33  12.726   2.023   0.820
  233   2HG2  THR  33          2HG2      THR  33  11.217   2.934   0.964
  234   3HG2  THR  33          3HG2      THR  33  11.326   1.311   1.631
  235    H    ILE  34           H        ILE  34  11.272  -1.293   1.308
  236    HA   ILE  34           HA       ILE  34  13.828  -1.036   2.518
  237    HB   ILE  34           HB       ILE  34  11.491  -2.928   2.836
  238   1HG1  ILE  34          1HG1      ILE  34  11.352  -0.495   3.609
  239   2HG1  ILE  34          2HG1      ILE  34  10.934  -1.747   4.782
  240   1HG2  ILE  34          1HG2      ILE  34  14.072  -2.979   4.392
  241   2HG2  ILE  34          2HG2      ILE  34  12.562  -3.724   4.972
  242   3HG2  ILE  34          3HG2      ILE  34  13.325  -4.318   3.494
  243   1HD1  ILE  34          1HD1      ILE  34  13.657  -0.386   4.664
  244   2HD1  ILE  34          2HD1      ILE  34  12.322   0.090   5.728
  245   3HD1  ILE  34          3HD1      ILE  34  13.071  -1.502   5.915
  246    H    MET  35           H        MET  35  12.407  -3.377   0.268
  247    HA   MET  35           HA       MET  35  14.508  -5.383   0.434
  248   1HB   MET  35          1HB       MET  35  12.484  -4.966  -1.771
  249   2HB   MET  35          2HB       MET  35  13.444  -6.402  -1.426
  250   1HG   MET  35          1HG       MET  35  11.380  -5.174   0.435
  251   2HG   MET  35          2HG       MET  35  11.179  -6.539  -0.624
  252   1HE   MET  35          1HE       MET  35  10.140  -7.760   1.500
  253   2HE   MET  35          2HE       MET  35  11.042  -8.097   2.995
  254   3HE   MET  35          3HE       MET  35  10.554  -6.432   2.612
  255    H    MET  36           H        MET  36  13.776  -2.614  -1.726
  256    HA   MET  36           HA       MET  36  15.862  -3.074  -3.657
  257   1HB   MET  36          1HB       MET  36  14.453  -0.513  -2.768
  258   2HB   MET  36          2HB       MET  36  15.497  -0.649  -4.186
  259   1HG   MET  36          1HG       MET  36  12.968  -2.297  -3.794
  260   2HG   MET  36          2HG       MET  36  13.045  -0.744  -4.610
  261   1HE   MET  36          1HE       MET  36  11.819  -1.903  -6.667
  262   2HE   MET  36          2HE       MET  36  12.430  -3.359  -7.487
  263   3HE   MET  36          3HE       MET  36  11.834  -3.467  -5.814
  264    H    GLN  37           H        GLN  37  15.529  -1.013  -0.810
  265    HA   GLN  37           HA       GLN  37  18.083   0.061  -0.572
  266   1HB   GLN  37          1HB       GLN  37  16.048   0.849   0.535
  267   2HB   GLN  37          2HB       GLN  37  15.909  -0.655   1.452
  268   1HG   GLN  37          1HG       GLN  37  17.828  -0.228   2.680
  269   2HG   GLN  37          2HG       GLN  37  18.301   1.117   1.580
  270   1HE2  GLN  37          2HE2      GLN  37  15.248   0.282   3.341
  271   2HE2  GLN  37          1HE2      GLN  37  15.077   1.844   4.116
  272    H    ARG  38           H        ARG  38  16.744  -3.024   0.547
  273    HA   ARG  38           HA       ARG  38  19.277  -4.056   1.642
  274   1HB   ARG  38          1HB       ARG  38  16.450  -4.795   1.440
  275   2HB   ARG  38          2HB       ARG  38  17.389  -6.184   1.435
  276   1HG   ARG  38          1HG       ARG  38  16.811  -5.723   3.739
  277   2HG   ARG  38          2HG       ARG  38  18.553  -5.492   3.540
  278   1HD   ARG  38          1HD       ARG  38  18.149  -3.000   3.375
  279   2HD   ARG  38          2HD       ARG  38  16.448  -3.283   3.722
  280    HE   ARG  38           HE       ARG  38  18.736  -3.391   5.533
  281   1HH1  ARG  38          1HH1      ARG  38  15.348  -4.387   5.143
  282   2HH1  ARG  38          2HH1      ARG  38  15.021  -4.376   6.857
  283   1HH2  ARG  38          1HH2      ARG  38  18.307  -3.442   7.769
  284   2HH2  ARG  38          2HH2      ARG  38  16.724  -3.879   8.355
  285    H    GLY  39           H        GLY  39  19.665  -3.173  -0.695
  286   1HA   GLY  39          1HA       GLY  39  20.794  -5.383  -2.247
  287   2HA   GLY  39          2HA       GLY  39  19.521  -4.473  -3.089
  288    H    ASN  40           H        ASN  40  19.776  -1.990  -2.888
  289    HA   ASN  40           HA       ASN  40  22.492  -1.261  -3.749
  290   1HB   ASN  40          1HB       ASN  40  21.437   0.918  -4.319
  291   2HB   ASN  40          2HB       ASN  40  20.791  -0.492  -5.150
  292   1HD2  ASN  40          2HD2      ASN  40  18.623  -0.400  -5.431
  293   2HD2  ASN  40          1HD2      ASN  40  17.491   0.311  -4.300
  294    H    PHE  41           H        PHE  41  22.867  -2.015  -1.364
  295    HA   PHE  41           HA       PHE  41  23.864   0.327  -0.014
  296   1HB   PHE  41          1HB       PHE  41  21.532   0.113   0.925
  297   2HB   PHE  41          2HB       PHE  41  21.945  -1.481   1.524
  298    HD1  PHE  41           HD1      PHE  41  22.582   2.154   1.889
  299    HD2  PHE  41           HD2      PHE  41  23.443  -1.771   3.457
  300    HE1  PHE  41           HE1      PHE  41  23.518   3.176   3.946
  301    HE2  PHE  41           HE2      PHE  41  24.382  -0.743   5.507
  302    HZ   PHE  41           HZ       PHE  41  24.392   1.732   5.769
  303    H    ARG  42           H        ARG  42  22.981  -3.080   0.364
  304    HA   ARG  42           HA       ARG  42  25.286  -4.058   1.682
  305   1HB   ARG  42          1HB       ARG  42  22.988  -5.153   1.216
  306   2HB   ARG  42          2HB       ARG  42  23.660  -5.611  -0.348
  307   1HG   ARG  42          1HG       ARG  42  25.600  -6.703   0.891
  308   2HG   ARG  42          2HG       ARG  42  24.736  -6.378   2.402
  309   1HD   ARG  42          1HD       ARG  42  23.823  -8.155   0.094
  310   2HD   ARG  42          2HD       ARG  42  24.370  -8.670   1.681
  311    HE   ARG  42           HE       ARG  42  22.400  -7.965   2.703
  312   1HH1  ARG  42          1HH2      ARG  42  22.237  -7.351  -0.816
  313   2HH1  ARG  42          2HH2      ARG  42  20.505  -7.116  -0.782
  314   1HH2  ARG  42          1HH1      ARG  42  20.129  -7.683   2.660
  315   2HH2  ARG  42          2HH1      ARG  42  19.333  -7.297   1.149
  316    H    ASN  43           H        ASN  43  24.414  -3.748  -1.726
  317    HA   ASN  43           HA       ASN  43  26.802  -4.824  -2.897
  318   1HB   ASN  43          1HB       ASN  43  24.646  -4.623  -4.075
  319   2HB   ASN  43          2HB       ASN  43  24.725  -2.861  -3.971
  320   1HD2  ASN  43          2HD2      ASN  43  26.298  -1.700  -5.263
  321   2HD2  ASN  43          1HD2      ASN  43  27.056  -2.470  -6.640
  322    H    GLN  44           H        GLN  44  25.668  -1.548  -2.108
  323    HA   GLN  44           HA       GLN  44  27.706  -0.137  -3.171
  324   1HB   GLN  44          1HB       GLN  44  25.804   0.561  -0.983
  325   2HB   GLN  44          2HB       GLN  44  26.752   1.761  -1.846
  326   1HG   GLN  44          1HG       GLN  44  24.952  -0.189  -3.341
  327   2HG   GLN  44          2HG       GLN  44  24.411   1.276  -2.624
  328   1HE2  GLN  44          2HE2      GLN  44  23.905   1.270  -5.184
  329   2HE2  GLN  44          1HE2      GLN  44  25.076   2.161  -6.133
  330    H    ARG  45           H        ARG  45  28.664   1.642  -1.409
  331    HA   ARG  45           HA       ARG  45  30.050   2.222   0.251
  332   1HB   ARG  45          1HB       ARG  45  29.281  -0.325   1.734
  333   2HB   ARG  45          2HB       ARG  45  30.039   1.133   2.368
  334   1HG   ARG  45          1HG       ARG  45  27.926   2.387   1.451
  335   2HG   ARG  45          2HG       ARG  45  27.212   0.773   1.298
  336   1HD   ARG  45          1HD       ARG  45  26.516   1.656   3.394
  337   2HD   ARG  45          2HD       ARG  45  27.731   0.409   3.754
  338    HE   ARG  45           HE       ARG  45  29.037   2.924   3.479
  339   1HH1  ARG  45          1HH1      ARG  45  26.821   1.312   5.725
  340   2HH1  ARG  45          2HH1      ARG  45  27.298   2.286   7.094
  341   1HH2  ARG  45          1HH2      ARG  45  29.636   4.213   5.243
  342   2HH2  ARG  45          2HH2      ARG  45  28.931   3.947   6.820
  343    H    LYS  46           H        LYS  46  31.668   2.053  -1.270
  344    HA   LYS  46           HA       LYS  46  33.493  -0.244  -1.315
  345   1HB   LYS  46          1HB       LYS  46  32.716   1.067  -3.358
  346   2HB   LYS  46          2HB       LYS  46  33.655   2.437  -2.760
  347   1HG   LYS  46          1HG       LYS  46  35.725   0.990  -2.837
  348   2HG   LYS  46          2HG       LYS  46  34.732  -0.346  -3.450
  349   1HD   LYS  46          1HD       LYS  46  34.125   1.017  -5.432
  350   2HD   LYS  46          2HD       LYS  46  35.103   2.363  -4.805
  351   1HE   LYS  46          1HE       LYS  46  37.134   0.931  -4.903
  352   2HE   LYS  46          2HE       LYS  46  36.158  -0.409  -5.537
  353   1HZ   LYS  46          1HZ       LYS  46  36.553   2.191  -6.844
  354   2HZ   LYS  46          2HZ       LYS  46  37.276   0.773  -7.268
  355   3HZ   LYS  46          3HZ       LYS  46  35.646   0.947  -7.434
  356    H    ILE  47           H        ILE  47  33.217   0.590   1.051
  357    HA   ILE  47           HA       ILE  47  34.264   1.127   2.991
  358    HB   ILE  47           HB       ILE  47  36.735   1.992   1.445
  359   1HG1  ILE  47          1HG1      ILE  47  36.285  -0.254   0.675
  360   2HG1  ILE  47          2HG1      ILE  47  37.630  -0.265   1.803
  361   1HG2  ILE  47          1HG2      ILE  47  36.299   1.040   4.307
  362   2HG2  ILE  47          2HG2      ILE  47  37.880   1.316   3.550
  363   3HG2  ILE  47          3HG2      ILE  47  36.767   2.663   3.788
  364   1HD1  ILE  47          1HD1      ILE  47  36.135  -1.125   3.598
  365   2HD1  ILE  47          2HD1      ILE  47  34.769  -1.112   2.457
  366   3HD1  ILE  47          3HD1      ILE  47  36.154  -2.175   2.175
  367    H    VAL  48           H        VAL  48  32.407   2.643   2.416
  368    HA   VAL  48           HA       VAL  48  33.087   5.232   3.424
  369    HB   VAL  48           HB       VAL  48  33.639   5.706   1.106
  370   1HG1  VAL  48          1HG1      VAL  48  32.312   3.936  -0.035
  371   2HG1  VAL  48          2HG1      VAL  48  30.826   4.851   0.307
  372   3HG1  VAL  48          3HG1      VAL  48  32.077   5.541  -0.735
  373   1HG2  VAL  48          1HG2      VAL  48  32.498   7.445   2.444
  374   2HG2  VAL  48          2HG2      VAL  48  32.173   7.593   0.707
  375   3HG2  VAL  48          3HG2      VAL  48  30.934   6.921   1.783
  Start of MODEL    5
    1   1H    LEU   1          1H        LEU   1 -34.626   4.212   1.383
    2   2H    LEU   1          2H        LEU   1 -34.919   3.051   0.202
    3    HA   LEU   1           HA       LEU   1 -35.893   1.899   2.432
    4   1HB   LEU   1          1HB       LEU   1 -33.065   1.575   1.360
    5   2HB   LEU   1          2HB       LEU   1 -34.006   0.376   2.250
    6    HG   LEU   1           HG       LEU   1 -34.626   1.393  -0.558
    7   1HD1  LEU   1          1HD1      LEU   1 -32.632  -0.048  -0.417
    8   2HD1  LEU   1          2HD1      LEU   1 -33.575  -1.284   0.443
    9   3HD1  LEU   1          3HD1      LEU   1 -33.969  -0.872  -1.240
   10   1HD2  LEU   1          1HD2      LEU   1 -35.999  -0.738   1.149
   11   2HD2  LEU   1          2HD2      LEU   1 -36.723   0.787   0.589
   12   3HD2  LEU   1          3HD2      LEU   1 -36.295  -0.467  -0.580
   13    H    GLU   2           H        GLU   2 -34.488   1.113   4.361
   14    HA   GLU   2           HA       GLU   2 -33.849   3.340   6.014
   15   1HB   GLU   2          1HB       GLU   2 -33.406   1.745   7.682
   16   2HB   GLU   2          2HB       GLU   2 -34.797   1.156   6.786
   17   1HG   GLU   2          1HG       GLU   2 -31.922   0.148   6.489
   18   2HG   GLU   2          2HG       GLU   2 -33.190  -0.627   7.428
   19    HE2  GLU   2           HE2      GLU   2 -34.910  -1.910   4.643
   20    H    GLU   3           H        GLU   3 -31.701   3.180   7.294
   21    HA   GLU   3           HA       GLU   3 -29.712   3.956   5.500
   22   1HB   GLU   3          1HB       GLU   3 -28.469   4.628   7.524
   23   2HB   GLU   3          2HB       GLU   3 -30.191   4.989   7.761
   24   1HG   GLU   3          1HG       GLU   3 -30.475   2.748   8.808
   25   2HG   GLU   3          2HG       GLU   3 -28.765   2.439   8.609
   26    HE2  GLU   3           HE2      GLU   3 -29.062   3.512  12.048
   27    H    MET   4           H        MET   4 -30.264   1.215   5.613
   28    HA   MET   4           HA       MET   4 -27.752  -0.247   6.006
   29   1HB   MET   4          1HB       MET   4 -29.973  -1.365   6.165
   30   2HB   MET   4          2HB       MET   4 -30.233  -1.058   4.436
   31   1HG   MET   4          1HG       MET   4 -28.269  -2.448   3.888
   32   2HG   MET   4          2HG       MET   4 -27.959  -2.701   5.614
   33   1HE   MET   4          1HE       MET   4 -27.812  -5.292   5.201
   34   2HE   MET   4          2HE       MET   4 -29.069  -6.235   4.366
   35   3HE   MET   4          3HE       MET   4 -28.119  -5.030   3.466
   36    H    MET   5           H        MET   5 -29.524   1.340   3.391
   37    HA   MET   5           HA       MET   5 -27.791   0.673   1.221
   38   1HB   MET   5          1HB       MET   5 -29.091   2.126  -0.036
   39   2HB   MET   5          2HB       MET   5 -30.207   1.341   1.095
   40   1HG   MET   5          1HG       MET   5 -29.759   3.331   2.634
   41   2HG   MET   5          2HG       MET   5 -28.967   4.081   1.256
   42   1HE   MET   5          1HE       MET   5 -30.195   4.658  -1.009
   43   2HE   MET   5          2HE       MET   5 -31.019   3.086  -1.165
   44   3HE   MET   5          3HE       MET   5 -31.956   4.592  -1.252
   45    H    THR   6           H        THR   6 -27.643   2.987   3.827
   46    HA   THR   6           HA       THR   6 -25.510   4.541   2.522
   47    HB   THR   6           HB       THR   6 -26.508   4.760   5.380
   48    HG1  THR   6           HG1      THR   6 -27.394   6.056   3.016
   49   1HG2  THR   6          1HG2      THR   6 -25.629   7.072   5.090
   50   2HG2  THR   6          2HG2      THR   6 -24.349   5.860   4.881
   51   3HG2  THR   6          3HG2      THR   6 -25.064   6.646   3.458
   52    H    ALA   7           H        ALA   7 -25.979   2.151   5.078
   53    HA   ALA   7           HA       ALA   7 -23.460   2.139   6.256
   54   1HB   ALA   7          1HB       ALA   7 -25.470   1.030   7.179
   55   2HB   ALA   7          2HB       ALA   7 -25.340  -0.227   5.925
   56   3HB   ALA   7          3HB       ALA   7 -24.066  -0.052   7.144
   57    H    CYS   8           H        CYS   8 -24.219   0.934   3.042
   58    HA   CYS   8           HA       CYS   8 -21.785  -0.745   2.824
   59   1HB   CYS   8          1HB       CYS   8 -22.711  -1.421   0.763
   60   2HB   CYS   8          2HB       CYS   8 -23.911  -1.614   2.030
   61    HG   CYS   8           HG       CYS   8 -25.153  -0.920  -0.076
   62    H    GLN   9           H        GLN   9 -21.939   0.229   0.242
   63    HA   GLN   9           HA       GLN   9 -19.809   1.161  -0.574
   64   1HB   GLN   9          1HB       GLN   9 -20.617   2.283  -2.353
   65   2HB   GLN   9          2HB       GLN   9 -21.957   1.262  -1.883
   66   1HG   GLN   9          1HG       GLN   9 -21.760   4.283  -1.390
   67   2HG   GLN   9          2HG       GLN   9 -22.635   3.475  -2.667
   68   1HE2  GLN   9          2HE2      GLN   9 -22.566   3.842   0.907
   69   2HE2  GLN   9          1HE2      GLN   9 -24.280   3.532   1.117
   70    H    GLY  10           H        GLY  10 -18.146   2.209   0.192
   71   1HA   GLY  10          1HA       GLY  10 -17.264   4.579   0.492
   72   2HA   GLY  10          2HA       GLY  10 -18.505   4.746   1.747
   73    H    VAL  11           H        VAL  11 -18.569   2.531   3.152
   74    HA   VAL  11           HA       VAL  11 -15.997   2.340   4.489
   75    HB   VAL  11           HB       VAL  11 -18.177   2.513   5.633
   76   1HG1  VAL  11          1HG1      VAL  11 -19.314   0.806   4.223
   77   2HG1  VAL  11          2HG1      VAL  11 -18.299  -0.448   4.984
   78   3HG1  VAL  11          3HG1      VAL  11 -19.429   0.504   5.980
   79   1HG2  VAL  11          1HG2      VAL  11 -16.085   1.894   6.797
   80   2HG2  VAL  11          2HG2      VAL  11 -17.480   1.031   7.463
   81   3HG2  VAL  11          3HG2      VAL  11 -16.351   0.186   6.389
   82    H    GLY  12           H        GLY  12 -17.880   0.427   2.219
   83   1HA   GLY  12          1HA       GLY  12 -15.551  -1.292   1.678
   84   2HA   GLY  12          2HA       GLY  12 -17.014  -2.107   2.265
   85    H    GLY  13           H        GLY  13 -16.566   0.730   0.118
   86   1HA   GLY  13          1HA       GLY  13 -18.347  -0.419  -1.948
   87   2HA   GLY  13          2HA       GLY  13 -17.710   1.233  -1.822
   88    HA   PRO  14           HA       PRO  14 -15.244  -1.179  -5.103
   89   1HB   PRO  14          1HB       PRO  14 -15.563   0.876  -7.008
   90   2HB   PRO  14          2HB       PRO  14 -16.532  -0.596  -6.867
   91   1HG   PRO  14          1HG       PRO  14 -17.251   2.139  -5.882
   92   2HG   PRO  14          2HG       PRO  14 -18.286   0.924  -6.668
   93   1HD   PRO  14          1HD       PRO  14 -18.289   1.297  -3.983
   94   2HD   PRO  14          2HD       PRO  14 -18.497  -0.330  -4.684
   95    H    GLY  15           H        GLY  15 -15.550   2.294  -4.869
   96   1HA   GLY  15          1HA       GLY  15 -12.949   3.224  -5.080
   97   2HA   GLY  15          2HA       GLY  15 -14.194   3.997  -4.087
   98    H    HIS  16           H        HIS  16 -14.411   1.638  -2.223
   99    HA   HIS  16           HA       HIS  16 -12.115   2.326  -0.533
  100   1HB   HIS  16          1HB       HIS  16 -14.540   2.144   0.297
  101   2HB   HIS  16          2HB       HIS  16 -14.405   0.399   0.047
  102    HD1  HIS  16           HD1      HIS  16 -13.846   2.988   2.566
  103    HD2  HIS  16           HD2      HIS  16 -12.333  -0.851   1.681
  104    HE1  HIS  16           HE1      HIS  16 -12.588   2.169   4.641
  105    HE2  HIS  16           HE2      HIS  16 -11.653  -0.168   4.131
  106    H    LYS  17           H        LYS  17 -13.282  -0.507  -2.366
  107    HA   LYS  17           HA       LYS  17 -11.285  -2.296  -1.375
  108   1HB   LYS  17          1HB       LYS  17 -13.336  -2.903  -2.723
  109   2HB   LYS  17          2HB       LYS  17 -12.532  -2.203  -4.130
  110   1HG   LYS  17          1HG       LYS  17 -11.908  -4.336  -4.488
  111   2HG   LYS  17          2HG       LYS  17 -10.578  -3.934  -3.406
  112   1HD   LYS  17          1HD       LYS  17 -13.192  -5.348  -2.684
  113   2HD   LYS  17          2HD       LYS  17 -11.601  -6.098  -2.877
  114   1HE   LYS  17          1HE       LYS  17 -10.761  -4.702  -0.950
  115   2HE   LYS  17          2HE       LYS  17 -12.429  -4.130  -0.700
  116   1HZ   LYS  17          1HZ       LYS  17 -11.550  -6.921  -0.576
  117   2HZ   LYS  17          2HZ       LYS  17 -11.908  -5.956   0.710
  118   3HZ   LYS  17          3HZ       LYS  17 -13.092  -6.384  -0.353
  119    H    ALA  18           H        ALA  18 -11.382   0.234  -3.822
  120    HA   ALA  18           HA       ALA  18  -8.741  -0.168  -4.913
  121   1HB   ALA  18          1HB       ALA  18 -10.550   0.945  -6.161
  122   2HB   ALA  18          2HB       ALA  18 -10.578   2.257  -4.965
  123   3HB   ALA  18          3HB       ALA  18  -9.136   2.005  -5.966
  124    H    ARG  19           H        ARG  19 -10.149   1.746  -2.173
  125    HA   ARG  19           HA       ARG  19  -7.758   3.294  -1.751
  126   1HB   ARG  19          1HB       ARG  19 -10.011   3.918  -0.960
  127   2HB   ARG  19          2HB       ARG  19  -9.970   2.572   0.199
  128   1HG   ARG  19          1HG       ARG  19  -8.001   3.571   1.308
  129   2HG   ARG  19          2HG       ARG  19  -7.991   4.894   0.129
  130   1HD   ARG  19          1HD       ARG  19 -10.241   4.271   2.103
  131   2HD   ARG  19          2HD       ARG  19  -9.016   5.518   2.290
  132    HE   ARG  19           HE       ARG  19  -9.898   6.806   0.557
  133   1HH1  ARG  19          1HH1      ARG  19 -11.944   3.943   1.109
  134   2HH1  ARG  19          2HH1      ARG  19 -13.336   4.656   0.334
  135   1HH2  ARG  19          1HH2      ARG  19 -11.711   7.680  -0.482
  136   2HH2  ARG  19          2HH2      ARG  19 -13.195   6.770  -0.594
  137    H    VAL  20           H        VAL  20  -8.971   0.204  -0.545
  138    HA   VAL  20           HA       VAL  20  -6.878  -0.228   1.405
  139    HB   VAL  20           HB       VAL  20  -8.977  -2.014   0.150
  140   1HG1  VAL  20          1HG2      VAL  20  -6.942  -2.723   2.310
  141   2HG1  VAL  20          2HG2      VAL  20  -8.388  -3.680   1.925
  142   3HG1  VAL  20          3HG2      VAL  20  -7.113  -3.497   0.717
  143   1HG2  VAL  20          1HG1      VAL  20  -9.712  -0.242   1.793
  144   2HG2  VAL  20          2HG1      VAL  20 -10.004  -1.892   2.374
  145   3HG2  VAL  20          3HG1      VAL  20  -8.628  -0.958   2.995
  146    H    LEU  21           H        LEU  21  -7.414  -1.174  -1.996
  147    HA   LEU  21           HA       LEU  21  -5.059  -2.764  -2.202
  148   1HB   LEU  21          1HB       LEU  21  -6.827  -2.803  -3.915
  149   2HB   LEU  21          2HB       LEU  21  -6.531  -1.095  -4.272
  150    HG   LEU  21           HG       LEU  21  -4.142  -1.714  -4.958
  151   1HD1  LEU  21          1HD1      LEU  21  -5.276  -4.550  -4.744
  152   2HD1  LEU  21          2HD1      LEU  21  -3.752  -4.102  -5.536
  153   3HD1  LEU  21          3HD1      LEU  21  -3.926  -3.900  -3.789
  154   1HD2  LEU  21          1HD2      LEU  21  -6.462  -2.995  -6.408
  155   2HD2  LEU  21          2HD2      LEU  21  -5.936  -1.295  -6.523
  156   3HD2  LEU  21          3HD2      LEU  21  -4.865  -2.593  -7.104
  157    H    ALA  22           H        ALA  22  -5.662   0.737  -2.962
  158    HA   ALA  22           HA       ALA  22  -3.096   1.436  -3.755
  159   1HB   ALA  22          1HB       ALA  22  -5.039   2.913  -3.945
  160   2HB   ALA  22          2HB       ALA  22  -5.084   3.118  -2.180
  161   3HB   ALA  22          3HB       ALA  22  -3.703   3.730  -3.112
  162    H    GLU  23           H        GLU  23  -4.338   1.053  -0.435
  163    HA   GLU  23           HA       GLU  23  -2.096   2.131   0.968
  164   1HB   GLU  23          1HB       GLU  23  -4.479   1.549   1.777
  165   2HB   GLU  23          2HB       GLU  23  -3.913  -0.106   1.917
  166   1HG   GLU  23          1HG       GLU  23  -2.072   0.641   3.427
  167   2HG   GLU  23          2HG       GLU  23  -2.696   2.298   3.339
  168    HE2  GLU  23           HE2      GLU  23  -5.602   1.529   5.254
  169    H    ALA  24           H        ALA  24  -3.027  -1.106  -0.125
  170    HA   ALA  24           HA       ALA  24  -0.733  -2.430   1.054
  171   1HB   ALA  24          1HB       ALA  24  -2.888  -3.616   0.667
  172   2HB   ALA  24          2HB       ALA  24  -2.673  -3.431  -1.089
  173   3HB   ALA  24          3HB       ALA  24  -1.539  -4.427  -0.157
  174    H    MET  25           H        MET  25  -1.435  -1.058  -2.142
  175    HA   MET  25           HA       MET  25   1.025  -2.073  -3.315
  176   1HB   MET  25          1HB       MET  25  -1.067  -0.012  -4.197
  177   2HB   MET  25          2HB       MET  25   0.262  -0.576  -5.208
  178   1HG   MET  25          1HG       MET  25  -1.973  -2.360  -4.115
  179   2HG   MET  25          2HG       MET  25  -1.893  -1.647  -5.687
  180   1HE   MET  25          1HE       MET  25  -0.171  -2.291  -7.523
  181   2HE   MET  25          2HE       MET  25   1.304  -2.179  -6.527
  182   3HE   MET  25          3HE       MET  25   0.956  -3.663  -7.435
  183    H    SER  26           H        SER  26   0.532   0.089  -0.949
  184    HA   SER  26           HA       SER  26   2.797   1.847  -1.789
  185   1HB   SER  26          1HB       SER  26   0.712   3.025  -1.081
  186   2HB   SER  26          2HB       SER  26   0.843   2.252   0.512
  187    HG   SER  26           HG       SER  26   2.941   3.212   0.663
  188    H    GLN  27           H        GLN  27   1.524  -0.509   0.514
  189    HA   GLN  27           HA       GLN  27   3.770  -0.384   2.326
  190   1HB   GLN  27          1HB       GLN  27   1.239  -0.878   2.810
  191   2HB   GLN  27          2HB       GLN  27   1.538  -2.473   2.140
  192   1HG   GLN  27          1HG       GLN  27   3.285  -2.890   3.862
  193   2HG   GLN  27          2HG       GLN  27   3.028  -1.259   4.507
  194   1HE2  GLN  27          2HE2      GLN  27   1.186  -4.272   3.708
  195   2HE2  GLN  27          1HE2      GLN  27   0.114  -4.171   5.090
  196    H    VAL  28           H        VAL  28   2.591  -2.699  -0.162
  197    HA   VAL  28           HA       VAL  28   4.477  -4.810   0.449
  198    HB   VAL  28           HB       VAL  28   2.767  -4.151  -1.976
  199   1HG1  VAL  28          1HG2      VAL  28   4.420  -6.649  -1.403
  200   2HG1  VAL  28          2HG2      VAL  28   3.193  -6.510  -2.679
  201   3HG1  VAL  28          3HG2      VAL  28   4.651  -5.515  -2.751
  202   1HG2  VAL  28          1HG1      VAL  28   1.575  -4.807   0.187
  203   2HG2  VAL  28          2HG1      VAL  28   1.300  -5.898  -1.177
  204   3HG2  VAL  28          3HG1      VAL  28   2.439  -6.344   0.115
  205    H    THR  29           H        THR  29   4.153  -2.271  -2.100
  206    HA   THR  29           HA       THR  29   6.496  -2.385  -3.357
  207    HB   THR  29           HB       THR  29   4.626  -0.073  -2.606
  208    HG1  THR  29           HG1      THR  29   3.313  -0.936  -4.266
  209   1HG2  THR  29          1HG2      THR  29   5.961  -0.871  -5.176
  210   2HG2  THR  29          2HG2      THR  29   4.871   0.535  -4.907
  211   3HG2  THR  29          3HG2      THR  29   6.479   0.477  -4.085
  212    H    ASN  30           H        ASN  30   5.706  -0.870  -0.215
  213    HA   ASN  30           HA       ASN  30   8.199   0.580   0.004
  214   1HB   ASN  30          1HB       ASN  30   6.205   1.237   1.392
  215   2HB   ASN  30          2HB       ASN  30   6.340  -0.327   2.179
  216   1HD2  ASN  30          2HD2      ASN  30   8.427   2.530   1.431
  217   2HD2  ASN  30          1HD2      ASN  30   9.248   2.509   2.976
  218    H    SER  31           H        SER  31   7.021  -2.636   0.987
  219    HA   SER  31           HA       SER  31   9.276  -3.323   2.624
  220   1HB   SER  31          1HB       SER  31   7.089  -4.534   2.649
  221   2HB   SER  31          2HB       SER  31   7.480  -5.228   1.062
  222    HG   SER  31           HG       SER  31   9.030  -5.499   3.419
  223    H    ALA  32           H        ALA  32   8.563  -3.538  -0.836
  224    HA   ALA  32           HA       ALA  32  11.051  -4.866  -1.565
  225   1HB   ALA  32          1HB       ALA  32   9.035  -5.019  -2.975
  226   2HB   ALA  32          2HB       ALA  32   9.086  -3.263  -3.256
  227   3HB   ALA  32          3HB       ALA  32  10.396  -4.299  -3.860
  228    H    THR  33           H        THR  33   9.971  -1.465  -1.175
  229    HA   THR  33           HA       THR  33  12.356  -0.386  -2.372
  230    HB   THR  33           HB       THR  33   9.945   0.676  -1.420
  231    HG1  THR  33           HG1      THR  33  11.168   1.371  -3.174
  232   1HG2  THR  33          1HG2      THR  33  10.480   2.531   0.033
  233   2HG2  THR  33          2HG2      THR  33  10.859   1.041   0.883
  234   3HG2  THR  33          3HG2      THR  33  12.166   2.007   0.182
  235    H    ILE  34           H        ILE  34  11.507  -1.569   0.826
  236    HA   ILE  34           HA       ILE  34  13.980  -0.637   2.101
  237    HB   ILE  34           HB       ILE  34  11.778  -2.522   2.952
  238   1HG1  ILE  34          1HG1      ILE  34  11.161  -0.136   2.912
  239   2HG1  ILE  34          2HG1      ILE  34  11.199  -0.782   4.553
  240   1HG2  ILE  34          1HG2      ILE  34  14.238  -1.717   4.498
  241   2HG2  ILE  34          2HG2      ILE  34  12.787  -2.327   5.295
  242   3HG2  ILE  34          3HG2      ILE  34  13.674  -3.363   4.177
  243   1HD1  ILE  34          1HD1      ILE  34  13.416   0.358   4.887
  244   2HD1  ILE  34          2HD1      ILE  34  13.237   1.066   3.260
  245   3HD1  ILE  34          3HD1      ILE  34  12.074   1.452   4.527
  246    H    MET  35           H        MET  35  13.292  -3.098  -0.182
  247    HA   MET  35           HA       MET  35  15.689  -4.690   0.593
  248   1HB   MET  35          1HB       MET  35  14.781  -6.414  -0.070
  249   2HB   MET  35          2HB       MET  35  13.290  -5.486   0.013
  250   1HG   MET  35          1HG       MET  35  13.184  -6.289  -1.871
  251   2HG   MET  35          2HG       MET  35  13.902  -4.830  -2.483
  252   1HE   MET  35          1HE       MET  35  13.653  -7.256  -4.398
  253   2HE   MET  35          2HE       MET  35  14.526  -5.767  -4.838
  254   3HE   MET  35          3HE       MET  35  15.281  -7.355  -5.111
  255    H    MET  36           H        MET  36  14.475  -2.299  -1.850
  256    HA   MET  36           HA       MET  36  16.673  -2.786  -3.645
  257   1HB   MET  36          1HB       MET  36  15.582  -1.340  -5.062
  258   2HB   MET  36          2HB       MET  36  14.224  -1.993  -4.133
  259   1HG   MET  36          1HG       MET  36  14.290   0.031  -2.726
  260   2HG   MET  36          2HG       MET  36  15.562   0.665  -3.643
  261   1HE   MET  36          1HE       MET  36  15.439   1.577  -6.040
  262   2HE   MET  36          2HE       MET  36  14.779   0.079  -6.744
  263   3HE   MET  36          3HE       MET  36  13.971   1.632  -7.040
  264    H    GLN  37           H        GLN  37  15.762  -0.482  -1.118
  265    HA   GLN  37           HA       GLN  37  17.862   1.374  -1.148
  266   1HB   GLN  37          1HB       GLN  37  15.681   1.588  -0.016
  267   2HB   GLN  37          2HB       GLN  37  16.008   0.130   0.948
  268   1HG   GLN  37          1HG       GLN  37  17.846   1.294   2.042
  269   2HG   GLN  37          2HG       GLN  37  17.380   2.777   1.141
  270   1HE2  GLN  37          2HE2      GLN  37  15.145   3.614   1.538
  271   2HE2  GLN  37          1HE2      GLN  37  14.385   3.320   3.087
  272    H    ARG  38           H        ARG  38  17.306  -1.734   0.374
  273    HA   ARG  38           HA       ARG  38  19.915  -2.082   1.671
  274   1HB   ARG  38          1HB       ARG  38  17.318  -3.463   1.317
  275   2HB   ARG  38          2HB       ARG  38  18.546  -4.488   1.893
  276   1HG   ARG  38          1HG       ARG  38  17.252  -3.618   3.759
  277   2HG   ARG  38          2HG       ARG  38  18.947  -3.125   3.866
  278   1HD   ARG  38          1HD       ARG  38  18.451  -0.834   3.499
  279   2HD   ARG  38          2HD       ARG  38  16.970  -1.207   2.621
  280    HE   ARG  38           HE       ARG  38  15.955  -0.588   4.420
  281   1HH1  ARG  38          1HH2      ARG  38  18.658  -2.496   5.710
  282   2HH1  ARG  38          2HH2      ARG  38  17.855  -2.808   7.226
  283   1HH2  ARG  38          1HH1      ARG  38  14.907  -1.058   6.358
  284   2HH2  ARG  38          2HH1      ARG  38  15.722  -1.966   7.603
  285    H    GLY  39           H        GLY  39  20.321  -1.519  -0.768
  286   1HA   GLY  39          1HA       GLY  39  21.799  -3.721  -1.975
  287   2HA   GLY  39          2HA       GLY  39  20.386  -3.213  -2.933
  288    H    ASN  40           H        ASN  40  20.159  -0.653  -2.857
  289    HA   ASN  40           HA       ASN  40  22.565   0.543  -4.029
  290   1HB   ASN  40          1HB       ASN  40  19.743   1.586  -3.541
  291   2HB   ASN  40          2HB       ASN  40  21.032   2.495  -4.341
  292   1HD2  ASN  40          2HD2      ASN  40  18.891  -0.341  -4.646
  293   2HD2  ASN  40          1HD2      ASN  40  19.115  -0.526  -6.374
  294    H    PHE  41           H        PHE  41  23.412  -0.099  -1.730
  295    HA   PHE  41           HA       PHE  41  24.167   2.189  -0.267
  296   1HB   PHE  41          1HB       PHE  41  21.786   1.971   0.592
  297   2HB   PHE  41          2HB       PHE  41  22.124   0.335   1.087
  298    HD1  PHE  41           HD1      PHE  41  23.508  -0.153   3.069
  299    HD2  PHE  41           HD2      PHE  41  22.607   3.895   1.879
  300    HE1  PHE  41           HE1      PHE  41  24.011   0.638   5.362
  301    HE2  PHE  41           HE2      PHE  41  23.091   4.672   4.187
  302    HZ   PHE  41           HZ       PHE  41  23.784   3.047   5.929
  303    H    ARG  42           H        ARG  42  23.265  -1.216   0.064
  304    HA   ARG  42           HA       ARG  42  25.447  -2.097   1.620
  305   1HB   ARG  42          1HB       ARG  42  23.239  -3.228   1.318
  306   2HB   ARG  42          2HB       ARG  42  23.704  -3.666  -0.309
  307   1HG   ARG  42          1HG       ARG  42  24.000  -5.548   1.205
  308   2HG   ARG  42          2HG       ARG  42  25.556  -5.058   0.522
  309   1HD   ARG  42          1HD       ARG  42  26.180  -3.941   2.599
  310   2HD   ARG  42          2HD       ARG  42  24.550  -4.204   3.272
  311    HE   ARG  42           HE       ARG  42  25.605  -6.718   2.564
  312   1HH1  ARG  42          1HH1      ARG  42  26.321  -4.112   4.865
  313   2HH1  ARG  42          2HH1      ARG  42  27.045  -5.177   6.043
  314   1HH2  ARG  42          1HH2      ARG  42  26.557  -8.107   4.118
  315   2HH2  ARG  42          2HH2      ARG  42  27.179  -7.461   5.614
  316    H    ASN  43           H        ASN  43  24.760  -2.442  -1.831
  317    HA   ASN  43           HA       ASN  43  27.227  -3.705  -2.573
  318   1HB   ASN  43          1HB       ASN  43  25.124  -3.845  -3.891
  319   2HB   ASN  43          2HB       ASN  43  25.239  -2.119  -4.257
  320   1HD2  ASN  43          2HD2      ASN  43  27.118  -5.191  -4.563
  321   2HD2  ASN  43          1HD2      ASN  43  27.882  -4.753  -6.076
  322    H    GLN  44           H        GLN  44  26.010  -0.396  -2.736
  323    HA   GLN  44           HA       GLN  44  28.051   0.970  -3.819
  324   1HB   GLN  44          1HB       GLN  44  26.321   1.909  -1.481
  325   2HB   GLN  44          2HB       GLN  44  27.216   2.923  -2.619
  326   1HG   GLN  44          1HG       GLN  44  25.915   1.838  -4.453
  327   2HG   GLN  44          2HG       GLN  44  24.849   1.114  -3.269
  328   1HE2  GLN  44          2HE2      GLN  44  23.707   2.733  -5.145
  329   2HE2  GLN  44          1HE2      GLN  44  23.182   4.229  -4.406
  330    H    ARG  45           H        ARG  45  27.502  -0.011  -0.545
  331    HA   ARG  45           HA       ARG  45  28.730  -0.395   1.296
  332   1HB   ARG  45          1HB       ARG  45  30.544  -1.174  -0.347
  333   2HB   ARG  45          2HB       ARG  45  31.293   0.416  -0.117
  334   1HG   ARG  45          1HG       ARG  45  31.325  -0.060   2.382
  335   2HG   ARG  45          2HG       ARG  45  30.638  -1.655   2.033
  336   1HD   ARG  45          1HD       ARG  45  33.044  -1.848   2.323
  337   2HD   ARG  45          2HD       ARG  45  32.616  -2.195   0.633
  338    HE   ARG  45           HE       ARG  45  33.229   0.584   0.941
  339   1HH1  ARG  45          1HH1      ARG  45  34.851  -2.572   0.894
  340   2HH1  ARG  45          2HH1      ARG  45  36.365  -1.928   0.314
  341   1HH2  ARG  45          1HH2      ARG  45  35.216   1.418   0.176
  342   2HH2  ARG  45          2HH2      ARG  45  36.574   0.356  -0.093
  343    H    LYS  46           H        LYS  46  27.273   1.744   1.004
  344    HA   LYS  46           HA       LYS  46  28.730   4.146   1.928
  345   1HB   LYS  46          1HB       LYS  46  27.242   4.020  -0.165
  346   2HB   LYS  46          2HB       LYS  46  25.865   3.798   0.907
  347   1HG   LYS  46          1HG       LYS  46  26.332   5.980   1.994
  348   2HG   LYS  46          2HG       LYS  46  27.736   6.225   0.942
  349   1HD   LYS  46          1HD       LYS  46  24.921   5.758  -0.128
  350   2HD   LYS  46          2HD       LYS  46  25.513   7.373   0.289
  351   1HE   LYS  46          1HE       LYS  46  27.252   7.297  -1.363
  352   2HE   LYS  46          2HE       LYS  46  26.978   5.581  -1.699
  353   1HZ   LYS  46          1HZ       LYS  46  25.019   7.691  -2.218
  354   2HZ   LYS  46          2HZ       LYS  46  25.998   6.984  -3.343
  355   3HZ   LYS  46          3HZ       LYS  46  24.868   6.078  -2.557
  356    H    ILE  47           H        ILE  47  28.748   2.253   3.647
  357    HA   ILE  47           HA       ILE  47  26.404   2.000   5.331
  358    HB   ILE  47           HB       ILE  47  29.239   1.160   6.000
  359   1HG1  ILE  47          1HG1      ILE  47  28.875   0.189   3.857
  360   2HG1  ILE  47          2HG1      ILE  47  28.677  -1.057   5.076
  361   1HG2  ILE  47          1HG2      ILE  47  26.508   0.138   6.899
  362   2HG2  ILE  47          2HG2      ILE  47  28.071  -0.589   7.323
  363   3HG2  ILE  47          3HG2      ILE  47  27.671   1.038   7.883
  364   1HD1  ILE  47          1HD1      ILE  47  26.193  -0.878   4.854
  365   2HD1  ILE  47          2HD1      ILE  47  26.416   0.351   3.586
  366   3HD1  ILE  47          3HD1      ILE  47  27.001  -1.298   3.336
  367    H    VAL  48           H        VAL  48  26.077   4.333   5.561
  368    HA   VAL  48           HA       VAL  48  27.261   5.322   8.076
  369    HB   VAL  48           HB       VAL  48  27.438   7.599   7.142
  370   1HG1  VAL  48          1HG1      VAL  48  29.446   6.141   7.315
  371   2HG1  VAL  48          2HG1      VAL  48  29.213   5.647   5.622
  372   3HG1  VAL  48          3HG1      VAL  48  29.562   7.338   6.014
  373   1HG2  VAL  48          1HG2      VAL  48  25.927   7.391   5.182
  374   2HG2  VAL  48          2HG2      VAL  48  27.525   7.998   4.728
  375   3HG2  VAL  48          3HG2      VAL  48  27.101   6.311   4.398
  Start of MODEL    6
    1   1H    LEU   1          1H        LEU   1 -28.300   1.519  -6.012
    2   2H    LEU   1          2H        LEU   1 -29.272   0.160  -5.822
    3    HA   LEU   1           HA       LEU   1 -27.714  -0.844  -4.733
    4   1HB   LEU   1          1HB       LEU   1 -26.186   1.800  -4.668
    5   2HB   LEU   1          2HB       LEU   1 -25.541   0.208  -4.291
    6    HG   LEU   1           HG       LEU   1 -24.714   0.660  -6.369
    7   1HD1  LEU   1          1HD1      LEU   1 -25.703  -1.611  -6.210
    8   2HD1  LEU   1          2HD1      LEU   1 -27.167  -1.014  -7.028
    9   3HD1  LEU   1          3HD1      LEU   1 -25.610  -1.001  -7.872
   10   1HD2  LEU   1          1HD2      LEU   1 -26.150   2.603  -6.936
   11   2HD2  LEU   1          2HD2      LEU   1 -25.807   1.521  -8.294
   12   3HD2  LEU   1          3HD2      LEU   1 -27.397   1.485  -7.531
   13    H    GLU   2           H        GLU   2 -26.697  -1.143  -2.591
   14    HA   GLU   2           HA       GLU   2 -28.410  -0.105  -0.483
   15   1HB   GLU   2          1HB       GLU   2 -27.624  -2.448  -0.579
   16   2HB   GLU   2          2HB       GLU   2 -25.956  -1.901  -0.334
   17   1HG   GLU   2          1HG       GLU   2 -26.646  -0.894   1.856
   18   2HG   GLU   2          2HG       GLU   2 -28.300  -1.464   1.583
   19    HE2  GLU   2           HE2      GLU   2 -26.712  -3.861   3.797
   20    H    GLU   3           H        GLU   3 -27.887   2.182  -0.810
   21    HA   GLU   3           HA       GLU   3 -25.279   3.087  -0.316
   22   1HB   GLU   3          1HB       GLU   3 -26.222   5.326  -0.636
   23   2HB   GLU   3          2HB       GLU   3 -26.965   4.218  -1.806
   24   1HG   GLU   3          1HG       GLU   3 -28.816   3.825  -0.201
   25   2HG   GLU   3          2HG       GLU   3 -28.079   4.945   0.928
   26    HE2  GLU   3           HE2      GLU   3 -30.551   7.027  -0.612
   27    H    MET   4           H        MET   4 -26.687   1.766   1.727
   28    HA   MET   4           HA       MET   4 -26.482   3.401   4.174
   29   1HB   MET   4          1HB       MET   4 -28.173   1.591   3.973
   30   2HB   MET   4          2HB       MET   4 -26.878   0.394   3.817
   31   1HG   MET   4          1HG       MET   4 -26.036   1.056   6.078
   32   2HG   MET   4          2HG       MET   4 -27.400   2.166   6.236
   33   1HE   MET   4          1HE       MET   4 -29.855   1.457   6.516
   34   2HE   MET   4          2HE       MET   4 -29.905   0.431   5.059
   35   3HE   MET   4          3HE       MET   4 -30.437  -0.220   6.622
   36    H    MET   5           H        MET   5 -24.809   0.740   2.527
   37    HA   MET   5           HA       MET   5 -22.524   0.607   4.258
   38   1HB   MET   5          1HB       MET   5 -23.001  -0.294   1.379
   39   2HB   MET   5          2HB       MET   5 -21.564  -0.665   2.339
   40   1HG   MET   5          1HG       MET   5 -22.958  -1.836   4.012
   41   2HG   MET   5          2HG       MET   5 -24.407  -1.459   3.077
   42   1HE   MET   5          1HE       MET   5 -21.138  -3.501   3.334
   43   2HE   MET   5          2HE       MET   5 -21.165  -4.521   1.878
   44   3HE   MET   5          3HE       MET   5 -20.818  -2.787   1.734
   45    H    THR   6           H        THR   6 -23.438   2.552   1.462
   46    HA   THR   6           HA       THR   6 -20.785   3.636   1.022
   47    HB   THR   6           HB       THR   6 -23.485   4.678   0.085
   48    HG1  THR   6           HG1      THR   6 -22.984   2.534  -0.599
   49   1HG2  THR   6          1HG2      THR   6 -22.119   5.724  -1.723
   50   2HG2  THR   6          2HG2      THR   6 -21.735   6.391  -0.129
   51   3HG2  THR   6          3HG2      THR   6 -20.640   5.216  -0.884
   52    H    ALA   7           H        ALA   7 -23.713   4.684   2.733
   53    HA   ALA   7           HA       ALA   7 -22.787   7.243   3.570
   54   1HB   ALA   7          1HB       ALA   7 -24.776   5.357   4.904
   55   2HB   ALA   7          2HB       ALA   7 -24.534   7.068   5.311
   56   3HB   ALA   7          3HB       ALA   7 -25.143   6.617   3.708
   57    H    CYS   8           H        CYS   8 -22.889   4.166   5.349
   58    HA   CYS   8           HA       CYS   8 -20.796   5.053   7.258
   59   1HB   CYS   8          1HB       CYS   8 -22.378   2.446   7.020
   60   2HB   CYS   8          2HB       CYS   8 -21.232   2.852   8.316
   61    HG   CYS   8           HG       CYS   8 -22.467   5.047   9.051
   62    H    GLN   9           H        GLN   9 -19.627   5.333   5.048
   63    HA   GLN   9           HA       GLN   9 -18.811   3.319   3.409
   64   1HB   GLN   9          1HB       GLN   9 -18.354   5.969   3.507
   65   2HB   GLN   9          2HB       GLN   9 -16.742   5.393   3.953
   66   1HG   GLN   9          1HG       GLN   9 -16.701   3.977   1.912
   67   2HG   GLN   9          2HG       GLN   9 -18.361   4.450   1.528
   68   1HE2  GLN   9          2HE2      GLN   9 -18.825   6.760   1.161
   69   2HE2  GLN   9          1HE2      GLN   9 -17.608   7.703   0.325
   70    H    GLY  10           H        GLY  10 -17.320   4.113   6.497
   71   1HA   GLY  10          1HA       GLY  10 -14.976   2.669   6.504
   72   2HA   GLY  10          2HA       GLY  10 -16.030   2.885   7.905
   73    H    VAL  11           H        VAL  11 -18.281   1.285   6.600
   74    HA   VAL  11           HA       VAL  11 -17.524  -1.251   7.691
   75    HB   VAL  11           HB       VAL  11 -19.787  -0.148   7.709
   76   1HG1  VAL  11          1HG1      VAL  11 -19.876   0.040   5.178
   77   2HG1  VAL  11          2HG1      VAL  11 -20.042  -1.732   5.132
   78   3HG1  VAL  11          3HG1      VAL  11 -21.279  -0.745   5.953
   79   1HG2  VAL  11          1HG2      VAL  11 -19.470  -3.113   7.077
   80   2HG2  VAL  11          2HG2      VAL  11 -19.324  -2.352   8.676
   81   3HG2  VAL  11          3HG2      VAL  11 -20.884  -2.356   7.839
   82    H    GLY  12           H        GLY  12 -17.713   0.079   4.444
   83   1HA   GLY  12          1HA       GLY  12 -15.907  -1.256   3.042
   84   2HA   GLY  12          2HA       GLY  12 -17.115  -2.541   3.178
   85    H    GLY  13           H        GLY  13 -17.517   1.007   2.687
   86   1HA   GLY  13          1HA       GLY  13 -19.482   0.689   0.589
   87   2HA   GLY  13          2HA       GLY  13 -18.691   2.176   1.135
   88    HA   PRO  14           HA       PRO  14 -17.242   0.635  -3.181
   89   1HB   PRO  14          1HB       PRO  14 -17.713   3.108  -4.462
   90   2HB   PRO  14          2HB       PRO  14 -18.810   1.724  -4.399
   91   1HG   PRO  14          1HG       PRO  14 -18.889   4.174  -2.670
   92   2HG   PRO  14          2HG       PRO  14 -20.244   3.306  -3.436
   93   1HD   PRO  14          1HD       PRO  14 -19.616   2.950  -0.830
   94   2HD   PRO  14          2HD       PRO  14 -20.166   1.571  -1.823
   95    H    GLY  15           H        GLY  15 -16.956   3.991  -2.225
   96   1HA   GLY  15          1HA       GLY  15 -14.314   4.530  -3.001
   97   2HA   GLY  15          2HA       GLY  15 -15.117   5.337  -1.644
   98    H    HIS  16           H        HIS  16 -15.427   3.273   0.207
   99    HA   HIS  16           HA       HIS  16 -12.620   2.654   0.908
  100   1HB   HIS  16          1HB       HIS  16 -14.178   3.754   2.572
  101   2HB   HIS  16          2HB       HIS  16 -15.222   2.331   2.461
  102    HD1  HIS  16           HD1      HIS  16 -11.670   3.257   3.591
  103    HD2  HIS  16           HD2      HIS  16 -14.688   0.386   4.257
  104    HE1  HIS  16           HE1      HIS  16 -10.924   1.806   5.566
  105    HE2  HIS  16           HE2      HIS  16 -12.742   0.044   5.989
  106    H    LYS  17           H        LYS  17 -12.834   1.440  -0.969
  107    HA   LYS  17           HA       LYS  17 -12.704  -1.400  -0.417
  108   1HB   LYS  17          1HB       LYS  17 -15.028  -0.931  -1.407
  109   2HB   LYS  17          2HB       LYS  17 -14.192  -0.654  -2.935
  110   1HG   LYS  17          1HG       LYS  17 -14.239  -2.853  -3.294
  111   2HG   LYS  17          2HG       LYS  17 -13.141  -3.104  -1.935
  112   1HD   LYS  17          1HD       LYS  17 -16.190  -2.929  -1.760
  113   2HD   LYS  17          2HD       LYS  17 -15.267  -4.437  -1.806
  114   1HE   LYS  17          1HE       LYS  17 -14.196  -3.948   0.317
  115   2HE   LYS  17          2HE       LYS  17 -14.916  -2.330   0.382
  116   1HZ   LYS  17          1HZ       LYS  17 -16.467  -4.810   0.395
  117   2HZ   LYS  17          2HZ       LYS  17 -16.076  -3.921   1.726
  118   3HZ   LYS  17          3HZ       LYS  17 -17.046  -3.270   0.566
  119    H    ALA  18           H        ALA  18 -12.760   1.173  -2.858
  120    HA   ALA  18           HA       ALA  18 -10.401   0.512  -4.314
  121   1HB   ALA  18          1HB       ALA  18 -11.856   3.172  -3.862
  122   2HB   ALA  18          2HB       ALA  18 -10.658   2.853  -5.129
  123   3HB   ALA  18          3HB       ALA  18 -12.219   2.003  -5.142
  124    H    ARG  19           H        ARG  19 -11.128   2.425  -1.296
  125    HA   ARG  19           HA       ARG  19  -8.449   3.517  -1.150
  126   1HB   ARG  19          1HB       ARG  19 -10.551   4.554  -0.177
  127   2HB   ARG  19          2HB       ARG  19 -10.526   3.257   1.030
  128   1HG   ARG  19          1HG       ARG  19  -8.183   4.010   1.665
  129   2HG   ARG  19          2HG       ARG  19  -8.369   5.357   0.531
  130   1HD   ARG  19          1HD       ARG  19 -10.373   6.119   1.811
  131   2HD   ARG  19          2HD       ARG  19 -10.118   4.820   2.983
  132    HE   ARG  19           HE       ARG  19  -8.747   7.351   2.792
  133   1HH1  ARG  19          1HH1      ARG  19  -8.215   3.980   3.792
  134   2HH1  ARG  19          2HH1      ARG  19  -6.922   4.384   4.890
  135   1HH2  ARG  19          1HH2      ARG  19  -7.061   7.857   4.239
  136   2HH2  ARG  19          2HH2      ARG  19  -6.272   6.598   5.152
  137    H    VAL  20           H        VAL  20 -10.185   0.719   0.144
  138    HA   VAL  20           HA       VAL  20  -8.205  -0.093   2.062
  139    HB   VAL  20           HB       VAL  20 -10.401  -1.660   0.671
  140   1HG1  VAL  20          1HG2      VAL  20  -8.749  -2.337   3.143
  141   2HG1  VAL  20          2HG2      VAL  20 -10.183  -3.230   2.597
  142   3HG1  VAL  20          3HG2      VAL  20  -8.730  -3.207   1.593
  143   1HG2  VAL  20          1HG1      VAL  20 -11.266   0.243   2.022
  144   2HG2  VAL  20          2HG1      VAL  20 -11.661  -1.308   2.773
  145   3HG2  VAL  20          3HG1      VAL  20 -10.325  -0.329   3.414
  146    H    LEU  21           H        LEU  21  -8.896  -0.894  -1.327
  147    HA   LEU  21           HA       LEU  21  -6.774  -2.760  -1.653
  148   1HB   LEU  21          1HB       LEU  21  -8.587  -2.468  -3.356
  149   2HB   LEU  21          2HB       LEU  21  -7.952  -0.862  -3.735
  150    HG   LEU  21           HG       LEU  21  -5.698  -1.986  -4.299
  151   1HD1  LEU  21          1HD2      LEU  21  -7.485  -4.456  -4.017
  152   2HD1  LEU  21          2HD2      LEU  21  -5.963  -4.450  -4.917
  153   3HD1  LEU  21          3HD2      LEU  21  -5.950  -4.143  -3.177
  154   1HD2  LEU  21          1HD1      LEU  21  -7.221  -1.220  -6.024
  155   2HD2  LEU  21          2HD1      LEU  21  -6.382  -2.710  -6.491
  156   3HD2  LEU  21          3HD1      LEU  21  -8.086  -2.781  -5.973
  157    H    ALA  22           H        ALA  22  -6.922   0.769  -2.450
  158    HA   ALA  22           HA       ALA  22  -4.301   1.173  -3.202
  159   1HB   ALA  22          1HB       ALA  22  -6.056   2.879  -3.339
  160   2HB   ALA  22          2HB       ALA  22  -6.028   3.073  -1.573
  161   3HB   ALA  22          3HB       ALA  22  -4.604   3.508  -2.537
  162    H    GLU  23           H        GLU  23  -5.552   0.946   0.140
  163    HA   GLU  23           HA       GLU  23  -3.181   1.732   1.513
  164   1HB   GLU  23          1HB       GLU  23  -5.628   1.452   2.341
  165   2HB   GLU  23          2HB       GLU  23  -5.239  -0.249   2.528
  166   1HG   GLU  23          1HG       GLU  23  -3.335   0.334   4.015
  167   2HG   GLU  23          2HG       GLU  23  -3.741   2.052   3.852
  168    HE2  GLU  23           HE2      GLU  23  -6.663   1.782   5.844
  169    H    ALA  24           H        ALA  24  -4.526  -1.364   0.450
  170    HA   ALA  24           HA       ALA  24  -2.400  -2.983   1.576
  171   1HB   ALA  24          1HB       ALA  24  -4.681  -3.892   1.169
  172   2HB   ALA  24          2HB       ALA  24  -4.448  -3.691  -0.582
  173   3HB   ALA  24          3HB       ALA  24  -3.437  -4.834   0.320
  174    H    MET  25           H        MET  25  -2.933  -1.407  -1.554
  175    HA   MET  25           HA       MET  25  -0.622  -2.676  -2.782
  176   1HB   MET  25          1HB       MET  25  -2.548  -0.425  -3.580
  177   2HB   MET  25          2HB       MET  25  -1.247  -1.005  -4.626
  178   1HG   MET  25          1HG       MET  25  -3.481  -2.826  -3.610
  179   2HG   MET  25          2HG       MET  25  -3.481  -1.934  -5.098
  180   1HE   MET  25          1HE       MET  25  -3.961  -4.320  -6.267
  181   2HE   MET  25          2HE       MET  25  -2.840  -5.698  -6.200
  182   3HE   MET  25          3HE       MET  25  -3.738  -5.224  -4.742
  183    H    SER  26           H        SER  26  -0.793  -0.602  -0.351
  184    HA   SER  26           HA       SER  26   1.673   0.893  -1.160
  185   1HB   SER  26          1HB       SER  26  -0.329   1.508   1.055
  186   2HB   SER  26          2HB       SER  26   1.205   2.343   0.776
  187    HG   SER  26           HG       SER  26  -0.635   3.358  -0.208
  188    H    GLN  27           H        GLN  27   0.089  -1.330   1.082
  189    HA   GLN  27           HA       GLN  27   2.326  -1.555   2.891
  190   1HB   GLN  27          1HB       GLN  27  -0.242  -1.749   3.358
  191   2HB   GLN  27          2HB       GLN  27  -0.140  -3.348   2.633
  192   1HG   GLN  27          1HG       GLN  27   1.553  -4.024   4.325
  193   2HG   GLN  27          2HG       GLN  27   1.469  -2.405   5.044
  194   1HE2  GLN  27          2HE2      GLN  27   1.013  -4.115   6.900
  195   2HE2  GLN  27          1HE2      GLN  27  -0.687  -4.395   7.217
  196    H    VAL  28           H        VAL  28   0.855  -3.623   0.340
  197    HA   VAL  28           HA       VAL  28   2.486  -5.960   0.842
  198    HB   VAL  28           HB       VAL  28   0.838  -5.014  -1.531
  199   1HG1  VAL  28          1HG2      VAL  28   2.187  -7.711  -1.069
  200   2HG1  VAL  28          2HG2      VAL  28   0.967  -7.383  -2.318
  201   3HG1  VAL  28          3HG2      VAL  28   2.533  -6.567  -2.385
  202   1HG2  VAL  28          1HG1      VAL  28  -0.398  -5.596   0.626
  203   2HG2  VAL  28          2HG1      VAL  28  -0.814  -6.608  -0.765
  204   3HG2  VAL  28          3HG1      VAL  28   0.281  -7.222   0.496
  205    H    THR  29           H        THR  29   2.443  -3.297  -1.595
  206    HA   THR  29           HA       THR  29   4.738  -3.666  -2.906
  207    HB   THR  29           HB       THR  29   3.149  -1.186  -2.047
  208    HG1  THR  29           HG1      THR  29   2.579  -3.140  -4.044
  209   1HG2  THR  29          1HG2      THR  29   3.438  -0.514  -4.324
  210   2HG2  THR  29          2HG2      THR  29   5.029  -0.742  -3.499
  211   3HG2  THR  29          3HG2      THR  29   4.409  -1.994  -4.649
  212    H    ASN  30           H        ASN  30   4.209  -2.205   0.322
  213    HA   ASN  30           HA       ASN  30   6.844  -1.052   0.510
  214   1HB   ASN  30          1HB       ASN  30   4.954  -0.287   1.972
  215   2HB   ASN  30          2HB       ASN  30   5.019  -1.872   2.731
  216   1HD2  ASN  30          2HD2      ASN  30   6.650  -2.324   4.262
  217   2HD2  ASN  30          1HD2      ASN  30   7.813  -1.120   4.777
  218    H    SER  31           H        SER  31   5.319  -4.148   1.400
  219    HA   SER  31           HA       SER  31   7.560  -5.219   2.857
  220   1HB   SER  31          1HB       SER  31   5.222  -6.117   2.995
  221   2HB   SER  31          2HB       SER  31   5.405  -6.777   1.357
  222    HG   SER  31           HG       SER  31   7.059  -7.375   3.580
  223    H    ALA  32           H        ALA  32   6.616  -5.145  -0.570
  224    HA   ALA  32           HA       ALA  32   8.894  -6.745  -1.450
  225   1HB   ALA  32          1HB       ALA  32   6.885  -6.702  -2.749
  226   2HB   ALA  32          2HB       ALA  32   7.092  -4.952  -3.055
  227   3HB   ALA  32          3HB       ALA  32   8.290  -6.127  -3.669
  228    H    THR  33           H        THR  33   8.338  -3.311  -0.714
  229    HA   THR  33           HA       THR  33  10.766  -2.404  -1.998
  230    HB   THR  33           HB       THR  33   8.607  -1.182  -0.687
  231    HG1  THR  33           HG1      THR  33   9.628   0.683  -1.438
  232   1HG2  THR  33          1HG2      THR  33  11.144  -0.310   0.763
  233   2HG2  THR  33          2HG2      THR  33   9.517   0.371   0.928
  234   3HG2  THR  33          3HG2      THR  33   9.860  -1.239   1.537
  235    H    ILE  34           H        ILE  34   9.970  -3.941   1.077
  236    HA   ILE  34           HA       ILE  34  12.560  -3.451   2.273
  237    HB   ILE  34           HB       ILE  34  10.558  -5.630   2.891
  238   1HG1  ILE  34          1HG1      ILE  34   9.745  -3.343   3.407
  239   2HG1  ILE  34          2HG1      ILE  34   9.979  -4.351   4.828
  240   1HG2  ILE  34          1HG2      ILE  34  13.167  -4.836   4.193
  241   2HG2  ILE  34          2HG2      ILE  34  11.933  -5.777   5.049
  242   3HG2  ILE  34          3HG2      ILE  34  12.709  -6.441   3.606
  243   1HD1  ILE  34          1HD1      ILE  34  12.111  -3.165   5.330
  244   2HD1  ILE  34          2HD1      ILE  34  11.859  -2.134   3.901
  245   3HD1  ILE  34          3HD1      ILE  34  10.725  -2.075   5.253
  246    H    MET  35           H        MET  35  11.329  -5.712  -0.158
  247    HA   MET  35           HA       MET  35  13.626  -7.513  -0.152
  248   1HB   MET  35          1HB       MET  35  11.616  -7.093  -2.351
  249   2HB   MET  35          2HB       MET  35  12.725  -8.427  -2.112
  250   1HG   MET  35          1HG       MET  35  10.462  -7.639  -0.240
  251   2HG   MET  35          2HG       MET  35  10.460  -8.896  -1.424
  252   1HE   MET  35          1HE       MET  35  11.874 -11.090  -1.276
  253   2HE   MET  35          2HE       MET  35  13.436 -10.312  -0.913
  254   3HE   MET  35          3HE       MET  35  12.819 -11.601   0.140
  255    H    MET  36           H        MET  36  12.565  -4.594  -2.085
  256    HA   MET  36           HA       MET  36  14.759  -4.809  -3.909
  257   1HB   MET  36          1HB       MET  36  13.833  -3.004  -4.958
  258   2HB   MET  36          2HB       MET  36  12.440  -3.595  -4.057
  259   1HG   MET  36          1HG       MET  36  12.298  -1.388  -3.695
  260   2HG   MET  36          2HG       MET  36  13.166  -1.841  -2.263
  261   1HE   MET  36          1HE       MET  36  13.025   1.092  -2.848
  262   2HE   MET  36          2HE       MET  36  14.063   0.427  -1.563
  263   3HE   MET  36          3HE       MET  36  14.719   1.621  -2.707
  264    H    GLN  37           H        GLN  37  14.221  -3.169  -0.841
  265    HA   GLN  37           HA       GLN  37  16.561  -1.658  -0.541
  266   1HB   GLN  37          1HB       GLN  37  14.528  -1.316   0.698
  267   2HB   GLN  37          2HB       GLN  37  14.530  -2.996   1.266
  268   1HG   GLN  37          1HG       GLN  37  16.525  -2.607   2.521
  269   2HG   GLN  37          2HG       GLN  37  16.473  -0.872   2.046
  270   1HE2  GLN  37          2HE2      GLN  37  14.276   0.220   2.592
  271   2HE2  GLN  37          1HE2      GLN  37  13.510  -0.229   4.101
  272    H    ARG  38           H        ARG  38  15.660  -5.085   0.213
  273    HA   ARG  38           HA       ARG  38  18.252  -5.856   1.226
  274   1HB   ARG  38          1HB       ARG  38  15.523  -6.945   0.965
  275   2HB   ARG  38          2HB       ARG  38  16.671  -8.036   0.416
  276   1HG   ARG  38          1HG       ARG  38  16.369  -8.467   2.775
  277   2HG   ARG  38          2HG       ARG  38  17.936  -7.643   2.676
  278   1HD   ARG  38          1HD       ARG  38  16.704  -5.456   3.141
  279   2HD   ARG  38          2HD       ARG  38  15.221  -6.415   3.329
  280    HE   ARG  38           HE       ARG  38  17.246  -7.433   5.052
  281   1HH1  ARG  38          1HH1      ARG  38  15.094  -4.618   4.711
  282   2HH1  ARG  38          2HH1      ARG  38  14.828  -4.457   6.424
  283   1HH2  ARG  38          1HH2      ARG  38  16.963  -7.137   7.310
  284   2HH2  ARG  38          2HH2      ARG  38  15.943  -5.856   7.910
  285    H    GLY  39           H        GLY  39  19.258  -4.891  -0.517
  286   1HA   GLY  39          1HA       GLY  39  20.602  -6.384  -2.399
  287   2HA   GLY  39          2HA       GLY  39  19.130  -5.889  -3.268
  288    H    ASN  40           H        ASN  40  18.631  -3.382  -2.250
  289    HA   ASN  40           HA       ASN  40  20.255  -1.574  -3.639
  290   1HB   ASN  40          1HB       ASN  40  17.981  -1.090  -2.713
  291   2HB   ASN  40          2HB       ASN  40  18.677  -1.085  -1.082
  292   1HD2  ASN  40          2HD2      ASN  40  18.960   0.507  -4.303
  293   2HD2  ASN  40          1HD2      ASN  40  19.451   2.063  -3.663
  294    H    PHE  41           H        PHE  41  20.458  -2.353  -0.066
  295    HA   PHE  41           HA       PHE  41  22.920  -0.860   0.049
  296   1HB   PHE  41          1HB       PHE  41  23.136  -2.347   2.234
  297   2HB   PHE  41          2HB       PHE  41  22.457  -0.761   2.046
  298    HD1  PHE  41           HD1      PHE  41  21.531  -4.422   2.036
  299    HD2  PHE  41           HD2      PHE  41  20.211  -0.398   2.854
  300    HE1  PHE  41           HE1      PHE  41  19.595  -5.311   3.301
  301    HE2  PHE  41           HE2      PHE  41  18.296  -1.294   4.144
  302    HZ   PHE  41           HZ       PHE  41  18.000  -3.747   4.397
  303    H    ARG  42           H        ARG  42  24.541  -1.429  -0.901
  304    HA   ARG  42           HA       ARG  42  25.846  -4.047  -0.764
  305   1HB   ARG  42          1HB       ARG  42  24.165  -3.194  -2.823
  306   2HB   ARG  42          2HB       ARG  42  25.716  -2.724  -3.450
  307   1HG   ARG  42          1HG       ARG  42  24.985  -5.512  -2.452
  308   2HG   ARG  42          2HG       ARG  42  25.031  -5.004  -4.152
  309   1HD   ARG  42          1HD       ARG  42  27.452  -4.494  -3.945
  310   2HD   ARG  42          2HD       ARG  42  27.423  -5.041  -2.253
  311    HE   ARG  42           HE       ARG  42  26.372  -7.098  -3.903
  312   1HH1  ARG  42          1HH2      ARG  42  29.463  -5.506  -3.192
  313   2HH1  ARG  42          2HH2      ARG  42  30.424  -6.907  -3.589
  314   1HH2  ARG  42          1HH1      ARG  42  27.643  -8.933  -4.422
  315   2HH2  ARG  42          2HH1      ARG  42  29.381  -8.867  -4.293
  316    H    ASN  43           H        ASN  43  25.980  -0.956  -2.497
  317    HA   ASN  43           HA       ASN  43  28.688  -0.310  -1.499
  318   1HB   ASN  43          1HB       ASN  43  28.084  -0.692  -3.970
  319   2HB   ASN  43          2HB       ASN  43  27.135   0.787  -3.878
  320   1HD2  ASN  43          2HD2      ASN  43  28.596   1.534  -5.634
  321   2HD2  ASN  43          1HD2      ASN  43  30.161   2.197  -5.211
  322    H    GLN  44           H        GLN  44  25.301   0.561  -1.178
  323    HA   GLN  44           HA       GLN  44  25.187   3.163  -1.216
  324   1HB   GLN  44          1HB       GLN  44  23.875   1.161   0.585
  325   2HB   GLN  44          2HB       GLN  44  23.328   2.836   0.519
  326   1HG   GLN  44          1HG       GLN  44  23.580   1.107  -2.019
  327   2HG   GLN  44          2HG       GLN  44  22.214   1.206  -0.961
  328   1HE2  GLN  44          2HE2      GLN  44  21.783   1.860  -3.553
  329   2HE2  GLN  44          1HE2      GLN  44  21.600   3.593  -3.750
  330    H    ARG  45           H        ARG  45  24.834   4.707   0.413
  331    HA   ARG  45           HA       ARG  45  25.754   6.232   1.799
  332   1HB   ARG  45          1HB       ARG  45  24.563   4.467   3.326
  333   2HB   ARG  45          2HB       ARG  45  26.180   4.101   3.923
  334   1HG   ARG  45          1HG       ARG  45  24.874   6.868   3.815
  335   2HG   ARG  45          2HG       ARG  45  24.854   5.822   5.234
  336   1HD   ARG  45          1HD       ARG  45  27.202   6.004   5.569
  337   2HD   ARG  45          2HD       ARG  45  27.455   6.790   3.998
  338    HE   ARG  45           HE       ARG  45  25.802   8.554   5.006
  339   1HH1  ARG  45          1HH2      ARG  45  28.705   7.105   6.469
  340   2HH1  ARG  45          2HH2      ARG  45  29.199   8.594   7.232
  341   1HH2  ARG  45          1HH1      ARG  45  26.514  10.494   5.931
  342   2HH2  ARG  45          2HH1      ARG  45  27.909  10.516   6.983
  343    H    LYS  46           H        LYS  46  27.460   6.187   0.162
  344    HA   LYS  46           HA       LYS  46  30.052   5.015   0.892
  345   1HB   LYS  46          1HB       LYS  46  28.938   4.853  -1.397
  346   2HB   LYS  46          2HB       LYS  46  29.230   6.585  -1.581
  347   1HG   LYS  46          1HG       LYS  46  31.695   6.167  -1.364
  348   2HG   LYS  46          2HG       LYS  46  31.367   4.462  -1.025
  349   1HD   LYS  46          1HD       LYS  46  32.089   4.670  -3.303
  350   2HD   LYS  46          2HD       LYS  46  30.384   4.187  -3.285
  351   1HE   LYS  46          1HE       LYS  46  29.699   6.506  -3.800
  352   2HE   LYS  46          2HE       LYS  46  31.384   7.051  -3.677
  353   1HZ   LYS  46          1HZ       LYS  46  30.326   5.153  -5.650
  354   2HZ   LYS  46          2HZ       LYS  46  30.705   6.732  -5.928
  355   3HZ   LYS  46          3HZ       LYS  46  31.893   5.657  -5.546
  356    H    ILE  47           H        ILE  47  29.287   6.650   2.663
  357    HA   ILE  47           HA       ILE  47  29.917   8.343   4.031
  358    HB   ILE  47           HB       ILE  47  32.028   9.180   2.006
  359   1HG1  ILE  47          1HG1      ILE  47  32.195   7.162   4.297
  360   2HG1  ILE  47          2HG1      ILE  47  32.322   6.789   2.572
  361   1HG2  ILE  47          1HG2      ILE  47  31.424  10.809   3.861
  362   2HG2  ILE  47          2HG2      ILE  47  31.869   9.556   5.030
  363   3HG2  ILE  47          3HG2      ILE  47  33.084  10.238   3.926
  364   1HD1  ILE  47          1HD1      ILE  47  34.353   8.250   2.432
  365   2HD1  ILE  47          2HD1      ILE  47  34.319   8.377   4.209
  366   3HD1  ILE  47          3HD1      ILE  47  34.526   6.800   3.439
  367    H    VAL  48           H        VAL  48  27.707   8.843   3.319
  368    HA   VAL  48           HA       VAL  48  27.518  11.655   2.663
  369    HB   VAL  48           HB       VAL  48  27.495  10.850   0.426
  370   1HG1  VAL  48          1HG1      VAL  48  26.936   8.453   0.784
  371   2HG1  VAL  48          2HG1      VAL  48  25.241   8.905   1.067
  372   3HG1  VAL  48          3HG1      VAL  48  25.993   9.214  -0.501
  373   1HG2  VAL  48          1HG2      VAL  48  25.871  12.617   1.025
  374   2HG2  VAL  48          2HG2      VAL  48  25.337  11.635  -0.352
  375   3HG2  VAL  48          3HG2      VAL  48  24.614  11.380   1.247
  Start of MODEL    7
    1   1H    LEU   1          1H        LEU   1 -21.920   6.896  -7.711
    2   2H    LEU   1          2H        LEU   1 -20.581   6.069  -8.304
    3    HA   LEU   1           HA       LEU   1 -20.545   7.952  -6.406
    4   1HB   LEU   1          1HB       LEU   1 -20.261   5.227  -5.075
    5   2HB   LEU   1          2HB       LEU   1 -19.937   6.787  -4.310
    6    HG   LEU   1           HG       LEU   1 -22.668   5.823  -5.286
    7   1HD1  LEU   1          1HD2      LEU   1 -21.831   4.625  -3.303
    8   2HD1  LEU   1          2HD2      LEU   1 -21.547   6.176  -2.479
    9   3HD1  LEU   1          3HD2      LEU   1 -23.199   5.676  -2.897
   10   1HD2  LEU   1          1HD1      LEU   1 -21.843   8.371  -3.814
   11   2HD2  LEU   1          2HD1      LEU   1 -22.563   8.275  -5.438
   12   3HD2  LEU   1          3HD1      LEU   1 -23.516   7.815  -4.024
   13    H    GLU   2           H        GLU   2 -18.327   8.179  -5.411
   14    HA   GLU   2           HA       GLU   2 -16.335   7.814  -7.316
   15   1HB   GLU   2          1HB       GLU   2 -14.834   8.638  -5.629
   16   2HB   GLU   2          2HB       GLU   2 -16.294   9.612  -5.664
   17   1HG   GLU   2          1HG       GLU   2 -15.806   7.388  -3.619
   18   2HG   GLU   2          2HG       GLU   2 -15.265   9.048  -3.390
   19    HE2  GLU   2           HE2      GLU   2 -18.381   8.782  -1.592
   20    H    GLU   3           H        GLU   3 -14.464   6.589  -7.276
   21    HA   GLU   3           HA       GLU   3 -14.925   3.898  -6.702
   22   1HB   GLU   3          1HB       GLU   3 -12.837   3.498  -7.957
   23   2HB   GLU   3          2HB       GLU   3 -13.746   4.800  -8.750
   24   1HG   GLU   3          1HG       GLU   3 -12.477   6.456  -7.401
   25   2HG   GLU   3          2HG       GLU   3 -11.568   5.156  -6.655
   26    HE2  GLU   3           HE2      GLU   3  -9.256   6.204  -9.155
   27    H    MET   4           H        MET   4 -14.385   5.630  -4.539
   28    HA   MET   4           HA       MET   4 -12.386   4.214  -2.888
   29   1HB   MET   4          1HB       MET   4 -14.051   6.663  -2.265
   30   2HB   MET   4          2HB       MET   4 -12.758   5.944  -1.314
   31   1HG   MET   4          1HG       MET   4 -12.556   7.322  -4.004
   32   2HG   MET   4          2HG       MET   4 -11.814   7.751  -2.461
   33   1HE   MET   4          1HE       MET   4  -9.617   8.298  -3.865
   34   2HE   MET   4          2HE       MET   4  -8.791   7.096  -4.884
   35   3HE   MET   4          3HE       MET   4 -10.391   7.712  -5.357
   36    H    MET   5           H        MET   5 -15.826   5.267  -2.773
   37    HA   MET   5           HA       MET   5 -16.745   3.691  -0.718
   38   1HB   MET   5          1HB       MET   5 -17.501   5.866  -2.284
   39   2HB   MET   5          2HB       MET   5 -18.350   4.605  -3.120
   40   1HG   MET   5          1HG       MET   5 -18.268   5.209  -0.136
   41   2HG   MET   5          2HG       MET   5 -19.268   6.025  -1.324
   42   1HE   MET   5          1HE       MET   5 -21.431   5.503   0.259
   43   2HE   MET   5          2HE       MET   5 -21.867   3.878   0.837
   44   3HE   MET   5          3HE       MET   5 -20.379   4.658   1.421
   45    H    THR   6           H        THR   6 -16.308   3.202  -4.181
   46    HA   THR   6           HA       THR   6 -17.858   0.806  -4.470
   47    HB   THR   6           HB       THR   6 -15.475   1.745  -6.115
   48    HG1  THR   6           HG1      THR   6 -17.085   2.796  -7.346
   49   1HG2  THR   6          1HG2      THR   6 -16.634   0.556  -7.959
   50   2HG2  THR   6          2HG2      THR   6 -16.186  -0.556  -6.655
   51   3HG2  THR   6          3HG2      THR   6 -17.871  -0.010  -6.816
   52    H    ALA   7           H        ALA   7 -14.487   1.515  -3.652
   53    HA   ALA   7           HA       ALA   7 -13.607  -1.240  -3.613
   54   1HB   ALA   7          1HB       ALA   7 -12.026   0.619  -3.905
   55   2HB   ALA   7          2HB       ALA   7 -12.347   1.171  -2.250
   56   3HB   ALA   7          3HB       ALA   7 -11.605  -0.412  -2.525
   57    H    CYS   8           H        CYS   8 -14.273   1.074  -0.982
   58    HA   CYS   8           HA       CYS   8 -14.659  -1.164   0.907
   59   1HB   CYS   8          1HB       CYS   8 -14.668   0.495   2.668
   60   2HB   CYS   8          2HB       CYS   8 -13.243   0.691   1.634
   61    HG   CYS   8           HG       CYS   8 -14.046   3.014   2.409
   62    H    GLN   9           H        GLN   9 -16.490  -1.518  -0.854
   63    HA   GLN   9           HA       GLN   9 -19.014  -0.271  -0.252
   64   1HB   GLN   9          1HB       GLN   9 -19.883  -1.930  -1.784
   65   2HB   GLN   9          2HB       GLN   9 -18.431  -1.171  -2.448
   66   1HG   GLN   9          1HG       GLN   9 -17.088  -3.167  -1.865
   67   2HG   GLN   9          2HG       GLN   9 -18.504  -3.896  -1.093
   68   1HE2  GLN   9          2HE2      GLN   9 -17.458  -2.515  -4.260
   69   2HE2  GLN   9          1HE2      GLN   9 -18.353  -3.670  -5.231
   70    H    GLY  10           H        GLY  10 -20.888  -1.894   0.355
   71   1HA   GLY  10          1HA       GLY  10 -20.277  -2.660   3.069
   72   2HA   GLY  10          2HA       GLY  10 -21.842  -2.725   2.261
   73    H    VAL  11           H        VAL  11 -22.421  -4.504   1.130
   74    HA   VAL  11           HA       VAL  11 -22.900  -6.679   1.145
   75    HB   VAL  11           HB       VAL  11 -21.884  -6.106  -0.870
   76   1HG1  VAL  11          1HG1      VAL  11 -19.417  -7.469   0.240
   77   2HG1  VAL  11          2HG1      VAL  11 -19.690  -7.041  -1.471
   78   3HG1  VAL  11          3HG1      VAL  11 -19.616  -5.759  -0.240
   79   1HG2  VAL  11          1HG2      VAL  11 -23.029  -8.282  -0.548
   80   2HG2  VAL  11          2HG2      VAL  11 -21.719  -8.406  -1.734
   81   3HG2  VAL  11          3HG2      VAL  11 -21.487  -9.038  -0.093
   82    H    GLY  12           H        GLY  12 -22.142  -5.889   3.436
   83   1HA   GLY  12          1HA       GLY  12 -21.903  -7.897   5.243
   84   2HA   GLY  12          2HA       GLY  12 -20.206  -7.717   4.744
   85    H    GLY  13           H        GLY  13 -19.690  -5.126   4.459
   86   1HA   GLY  13          1HA       GLY  13 -20.997  -3.301   6.075
   87   2HA   GLY  13          2HA       GLY  13 -19.741  -3.951   7.102
   88    HA   PRO  14           HA       PRO  14 -17.895  -1.127   3.654
   89   1HB   PRO  14          1HB       PRO  14 -18.635   1.474   4.159
   90   2HB   PRO  14          2HB       PRO  14 -19.594   0.315   3.225
   91   1HG   PRO  14          1HG       PRO  14 -20.123   1.192   6.027
   92   2HG   PRO  14          2HG       PRO  14 -21.259   0.856   4.708
   93   1HD   PRO  14          1HD       PRO  14 -20.578  -0.974   6.721
   94   2HD   PRO  14          2HD       PRO  14 -21.263  -1.406   5.131
   95    H    GLY  15           H        GLY  15 -18.495   0.345   6.741
   96   1HA   GLY  15          1HA       GLY  15 -16.283   1.898   7.189
   97   2HA   GLY  15          2HA       GLY  15 -17.169   1.096   8.497
   98    H    HIS  16           H        HIS  16 -16.557  -1.587   8.079
   99    HA   HIS  16           HA       HIS  16 -13.746  -1.607   8.955
  100   1HB   HIS  16          1HB       HIS  16 -14.010  -3.943   9.383
  101   2HB   HIS  16          2HB       HIS  16 -15.491  -3.180   9.972
  102    HD1  HIS  16           HD1      HIS  16 -17.676  -4.182   9.051
  103    HD2  HIS  16           HD2      HIS  16 -14.234  -5.340   6.879
  104    HE1  HIS  16           HE1      HIS  16 -18.382  -6.014   7.411
  105    HE2  HIS  16           HE2      HIS  16 -16.327  -6.690   6.033
  106    H    LYS  17           H        LYS  17 -15.418  -2.254   5.899
  107    HA   LYS  17           HA       LYS  17 -13.168  -3.688   4.865
  108   1HB   LYS  17          1HB       LYS  17 -15.515  -3.686   3.970
  109   2HB   LYS  17          2HB       LYS  17 -15.188  -2.104   3.252
  110   1HG   LYS  17          1HG       LYS  17 -13.321  -3.049   1.948
  111   2HG   LYS  17          2HG       LYS  17 -13.545  -4.636   2.703
  112   1HD   LYS  17          1HD       LYS  17 -15.694  -3.222   1.084
  113   2HD   LYS  17          2HD       LYS  17 -14.532  -4.344   0.370
  114   1HE   LYS  17          1HE       LYS  17 -15.362  -6.204   1.621
  115   2HE   LYS  17          2HE       LYS  17 -16.334  -5.181   2.689
  116   1HZ   LYS  17          1HZ       LYS  17 -16.823  -5.489  -0.169
  117   2HZ   LYS  17          2HZ       LYS  17 -17.674  -6.195   1.059
  118   3HZ   LYS  17          3HZ       LYS  17 -17.683  -4.560   0.901
  119    H    ALA  18           H        ALA  18 -13.980  -0.309   5.389
  120    HA   ALA  18           HA       ALA  18 -11.874   0.815   3.753
  121   1HB   ALA  18          1HB       ALA  18 -13.903   2.087   4.481
  122   2HB   ALA  18          2HB       ALA  18 -13.298   2.046   6.148
  123   3HB   ALA  18          3HB       ALA  18 -12.371   2.882   4.895
  124    H    ARG  19           H        ARG  19 -12.214  -0.331   7.201
  125    HA   ARG  19           HA       ARG  19  -9.610   0.659   7.926
  126   1HB   ARG  19          1HB       ARG  19 -11.444   0.234   9.543
  127   2HB   ARG  19          2HB       ARG  19 -11.345  -1.492   9.197
  128   1HG   ARG  19          1HG       ARG  19 -10.216  -0.918  11.290
  129   2HG   ARG  19          2HG       ARG  19  -9.109  -1.644  10.128
  130   1HD   ARG  19          1HD       ARG  19  -8.104   0.280  11.366
  131   2HD   ARG  19          2HD       ARG  19  -8.091   0.494   9.624
  132    HE   ARG  19           HE       ARG  19  -9.475   2.301   9.794
  133   1HH1  ARG  19          1HH2      ARG  19  -9.619   0.551  12.883
  134   2HH1  ARG  19          2HH2      ARG  19 -10.549   1.792  13.682
  135   1HH2  ARG  19          1HH1      ARG  19 -10.696   3.910  10.852
  136   2HH2  ARG  19          2HH1      ARG  19 -11.165   3.708  12.520
  137    H    VAL  20           H        VAL  20 -10.866  -2.404   6.718
  138    HA   VAL  20           HA       VAL  20  -8.456  -3.888   7.167
  139    HB   VAL  20           HB       VAL  20 -11.033  -4.642   6.917
  140   1HG1  VAL  20          1HG1      VAL  20 -11.110  -4.097   4.481
  141   2HG1  VAL  20          2HG1      VAL  20 -10.044  -5.485   4.213
  142   3HG1  VAL  20          3HG1      VAL  20 -11.636  -5.711   4.975
  143   1HG2  VAL  20          1HG2      VAL  20  -9.188  -6.040   7.767
  144   2HG2  VAL  20          2HG2      VAL  20 -10.211  -6.956   6.647
  145   3HG2  VAL  20          3HG2      VAL  20  -8.635  -6.339   6.104
  146    H    LEU  21           H        LEU  21  -9.881  -2.157   4.418
  147    HA   LEU  21           HA       LEU  21  -7.875  -2.916   2.544
  148   1HB   LEU  21          1HB       LEU  21 -10.004  -1.889   1.811
  149   2HB   LEU  21          2HB       LEU  21  -9.591  -0.395   2.672
  150    HG   LEU  21           HG       LEU  21  -7.537  -0.176   1.192
  151   1HD1  LEU  21          1HD2      LEU  21  -8.864  -2.529  -0.241
  152   2HD1  LEU  21          2HD2      LEU  21  -7.560  -1.531  -0.924
  153   3HD1  LEU  21          3HD2      LEU  21  -7.249  -2.529   0.498
  154   1HD2  LEU  21          1HD1      LEU  21  -9.577   1.059   0.703
  155   2HD2  LEU  21          2HD1      LEU  21  -8.736   0.568  -0.781
  156   3HD2  LEU  21          3HD1      LEU  21 -10.193  -0.313  -0.256
  157    H    ALA  22           H        ALA  22  -8.273   0.031   4.628
  158    HA   ALA  22           HA       ALA  22  -5.907   1.327   4.008
  159   1HB   ALA  22          1HB       ALA  22  -7.651   2.298   5.415
  160   2HB   ALA  22          2HB       ALA  22  -7.271   1.156   6.724
  161   3HB   ALA  22          3HB       ALA  22  -6.079   2.376   6.231
  162    H    GLU  23           H        GLU  23  -6.333  -1.451   6.213
  163    HA   GLU  23           HA       GLU  23  -3.682  -1.486   7.318
  164   1HB   GLU  23          1HB       GLU  23  -5.838  -2.714   8.069
  165   2HB   GLU  23          2HB       GLU  23  -5.472  -3.882   6.812
  166   1HG   GLU  23          1HG       GLU  23  -3.207  -4.251   7.814
  167   2HG   GLU  23          2HG       GLU  23  -3.641  -3.155   9.136
  168    HE2  GLU  23           HE2      GLU  23  -6.036  -5.445  10.497
  169    H    ALA  24           H        ALA  24  -5.242  -3.064   4.563
  170    HA   ALA  24           HA       ALA  24  -2.896  -4.584   3.843
  171   1HB   ALA  24          1HB       ALA  24  -5.195  -5.309   3.224
  172   2HB   ALA  24          2HB       ALA  24  -5.357  -3.896   2.157
  173   3HB   ALA  24          3HB       ALA  24  -4.157  -5.152   1.791
  174    H    MET  25           H        MET  25  -4.166  -1.421   2.874
  175    HA   MET  25           HA       MET  25  -2.142  -1.055   0.805
  176   1HB   MET  25          1HB       MET  25  -4.209   0.800   2.103
  177   2HB   MET  25          2HB       MET  25  -3.241   1.210   0.686
  178   1HG   MET  25          1HG       MET  25  -5.284  -1.065   0.760
  179   2HG   MET  25          2HG       MET  25  -5.528   0.549   0.182
  180   1HE   MET  25          1HE       MET  25  -5.002  -2.930  -0.839
  181   2HE   MET  25          2HE       MET  25  -3.720  -2.951  -2.069
  182   3HE   MET  25          3HE       MET  25  -3.301  -2.723  -0.361
  183    H    SER  26           H        SER  26  -1.933  -1.100   4.088
  184    HA   SER  26           HA       SER  26   0.352   0.836   4.071
  185   1HB   SER  26          1HB       SER  26   0.084   1.076   6.466
  186   2HB   SER  26          2HB       SER  26  -1.380   1.594   5.610
  187    HG   SER  26           HG       SER  26  -2.312  -0.393   6.133
  188    H    GLN  27           H        GLN  27  -0.605  -2.430   4.069
  189    HA   GLN  27           HA       GLN  27   1.932  -3.405   5.233
  190   1HB   GLN  27          1HB       GLN  27  -0.479  -4.332   5.708
  191   2HB   GLN  27          2HB       GLN  27  -0.412  -4.998   4.087
  192   1HG   GLN  27          1HG       GLN  27   1.656  -6.255   4.682
  193   2HG   GLN  27          2HG       GLN  27   1.572  -5.598   6.325
  194   1HE2  GLN  27          2HE2      GLN  27  -0.715  -5.931   7.405
  195   2HE2  GLN  27          1HE2      GLN  27  -1.396  -7.531   7.208
  196    H    VAL  28           H        VAL  28   0.052  -3.507   2.158
  197    HA   VAL  28           HA       VAL  28   1.854  -5.257   0.758
  198    HB   VAL  28           HB       VAL  28  -0.399  -3.396  -0.087
  199   1HG1  VAL  28          1HG2      VAL  28   1.149  -5.421  -1.764
  200   2HG1  VAL  28          2HG2      VAL  28  -0.380  -4.658  -2.248
  201   3HG1  VAL  28          3HG2      VAL  28   1.066  -3.666  -2.034
  202   1HG2  VAL  28          1HG1      VAL  28  -0.984  -5.451   1.312
  203   2HG2  VAL  28          2HG1      VAL  28  -1.706  -5.424  -0.303
  204   3HG2  VAL  28          3HG1      VAL  28  -0.285  -6.442   0.027
  205    H    THR  29           H        THR  29   1.058  -1.732   0.615
  206    HA   THR  29           HA       THR  29   2.980  -0.809  -1.011
  207    HB   THR  29           HB       THR  29   1.633   0.402   1.470
  208    HG1  THR  29           HG1      THR  29   0.494  -0.150  -1.085
  209   1HG2  THR  29          1HG2      THR  29   1.289   2.274   0.002
  210   2HG2  THR  29          2HG2      THR  29   3.043   1.860   0.137
  211   3HG2  THR  29          3HG2      THR  29   2.106   1.385  -1.333
  212    H    ASN  30           H        ASN  30   3.214  -1.789   2.391
  213    HA   ASN  30           HA       ASN  30   5.748  -0.456   2.886
  214   1HB   ASN  30          1HB       ASN  30   3.980  -1.280   4.566
  215   2HB   ASN  30          2HB       ASN  30   4.800  -2.829   4.469
  216   1HD2  ASN  30          2HD2      ASN  30   7.455  -2.354   4.429
  217   2HD2  ASN  30          1HD2      ASN  30   7.944  -1.410   5.820
  218    H    SER  31           H        SER  31   4.607  -3.681   2.001
  219    HA   SER  31           HA       SER  31   7.146  -5.026   1.997
  220   1HB   SER  31          1HB       SER  31   4.930  -6.186   1.959
  221   2HB   SER  31          2HB       SER  31   4.718  -5.678   0.271
  222    HG   SER  31           HG       SER  31   5.639  -7.757   0.458
  223    H    ALA  32           H        ALA  32   5.393  -3.013  -0.350
  224    HA   ALA  32           HA       ALA  32   7.485  -3.367  -2.339
  225   1HB   ALA  32          1HB       ALA  32   5.219  -3.003  -3.129
  226   2HB   ALA  32          2HB       ALA  32   5.200  -1.379  -2.374
  227   3HB   ALA  32          3HB       ALA  32   6.322  -1.739  -3.705
  228    H    THR  33           H        THR  33   6.881  -1.125   0.366
  229    HA   THR  33           HA       THR  33   8.701   0.898  -0.620
  230    HB   THR  33           HB       THR  33   7.028   0.673   1.598
  231    HG1  THR  33           HG1      THR  33   7.758   2.774   1.981
  232   1HG2  THR  33          1HG2      THR  33   9.856   0.953   2.701
  233   2HG2  THR  33          2HG2      THR  33   8.334   1.117   3.592
  234   3HG2  THR  33          3HG2      THR  33   8.822  -0.456   2.975
  235    H    ILE  34           H        ILE  34   9.006  -2.228   1.003
  236    HA   ILE  34           HA       ILE  34  11.812  -1.936   1.566
  237    HB   ILE  34           HB       ILE  34   9.966  -4.323   1.427
  238   1HG1  ILE  34          1HG1      ILE  34  11.525  -2.818   3.597
  239   2HG1  ILE  34          2HG1      ILE  34   9.774  -2.807   3.344
  240   1HG2  ILE  34          1HG2      ILE  34  12.947  -4.195   1.824
  241   2HG2  ILE  34          2HG2      ILE  34  12.005  -5.629   2.267
  242   3HG2  ILE  34          3HG2      ILE  34  12.120  -5.137   0.585
  243   1HD1  ILE  34          1HD1      ILE  34   9.830  -5.318   3.755
  244   2HD1  ILE  34          2HD1      ILE  34  11.512  -5.083   4.318
  245   3HD1  ILE  34          3HD1      ILE  34  10.183  -4.259   5.148
  246    H    MET  35           H        MET  35   9.917  -2.955  -1.319
  247    HA   MET  35           HA       MET  35  12.354  -3.830  -2.699
  248   1HB   MET  35          1HB       MET  35  11.124  -4.551  -4.425
  249   2HB   MET  35          2HB       MET  35  10.051  -4.782  -3.025
  250   1HG   MET  35          1HG       MET  35   8.934  -2.864  -3.543
  251   2HG   MET  35          2HG       MET  35   9.868  -2.339  -4.807
  252   1HE   MET  35          1HE       MET  35   7.538  -5.299  -3.638
  253   2HE   MET  35          2HE       MET  35   7.191  -6.125  -5.171
  254   3HE   MET  35          3HE       MET  35   8.820  -6.210  -4.475
  255    H    MET  36           H        MET  36  10.550  -0.752  -2.430
  256    HA   MET  36           HA       MET  36  11.989   0.468  -4.597
  257   1HB   MET  36          1HB       MET  36  10.618   2.236  -4.244
  258   2HB   MET  36          2HB       MET  36   9.682   1.023  -3.386
  259   1HG   MET  36          1HG       MET  36   9.619   2.707  -1.939
  260   2HG   MET  36          2HG       MET  36  10.991   1.879  -1.280
  261   1HE   MET  36          1HE       MET  36  10.519   4.654  -0.254
  262   2HE   MET  36          2HE       MET  36  11.998   3.738   0.125
  263   3HE   MET  36          3HE       MET  36  12.113   5.429  -0.416
  264    H    GLN  37           H        GLN  37  12.417   0.183  -1.096
  265    HA   GLN  37           HA       GLN  37  14.666   1.825  -0.670
  266   1HB   GLN  37          1HB       GLN  37  13.092   1.132   1.032
  267   2HB   GLN  37          2HB       GLN  37  13.356  -0.577   0.645
  268   1HG   GLN  37          1HG       GLN  37  15.662  -0.370   1.413
  269   2HG   GLN  37          2HG       GLN  37  15.243   1.283   1.989
  270   1HE2  GLN  37          2HE2      GLN  37  13.396   1.393   3.590
  271   2HE2  GLN  37          1HE2      GLN  37  13.134   0.041   4.671
  272    H    ARG  38           H        ARG  38  14.202  -1.593  -1.530
  273    HA   ARG  38           HA       ARG  38  17.038  -2.287  -1.763
  274   1HB   ARG  38          1HB       ARG  38  14.406  -3.518  -1.983
  275   2HB   ARG  38          2HB       ARG  38  15.450  -4.287  -3.043
  276   1HG   ARG  38          1HG       ARG  38  15.559  -5.541  -1.052
  277   2HG   ARG  38          2HG       ARG  38  17.104  -4.694  -1.175
  278   1HD   ARG  38          1HD       ARG  38  16.367  -3.081   0.556
  279   2HD   ARG  38          2HD       ARG  38  14.766  -3.837   0.571
  280    HE   ARG  38           HE       ARG  38  17.013  -5.628   1.098
  281   1HH1  ARG  38          1HH1      ARG  38  14.635  -3.522   2.754
  282   2HH1  ARG  38          2HH1      ARG  38  14.518  -4.585   4.129
  283   1HH2  ARG  38          1HH2      ARG  38  16.921  -6.886   2.963
  284   2HH2  ARG  38          2HH2      ARG  38  15.883  -6.434   4.290
  285    H    GLY  39           H        GLY  39  16.674  -0.153  -3.056
  286   1HA   GLY  39          1HA       GLY  39  17.742  -0.574  -5.706
  287   2HA   GLY  39          2HA       GLY  39  16.088   0.086  -5.773
  288    H    ASN  40           H        ASN  40  15.779   1.808  -3.894
  289    HA   ASN  40           HA       ASN  40  17.611   4.026  -4.327
  290   1HB   ASN  40          1HB       ASN  40  15.117   4.252  -4.238
  291   2HB   ASN  40          2HB       ASN  40  15.156   3.792  -2.533
  292   1HD2  ASN  40          2HD2      ASN  40  16.475   6.183  -4.888
  293   2HD2  ASN  40          1HD2      ASN  40  16.572   7.509  -3.749
  294    H    PHE  41           H        PHE  41  19.244   2.366  -3.403
  295    HA   PHE  41           HA       PHE  41  20.321   3.388  -1.044
  296   1HB   PHE  41          1HB       PHE  41  18.498   1.880  -0.013
  297   2HB   PHE  41          2HB       PHE  41  19.241   0.512  -0.793
  298    HD1  PHE  41           HD1      PHE  41  19.072   2.418   2.194
  299    HD2  PHE  41           HD2      PHE  41  21.731  -0.047  -0.152
  300    HE1  PHE  41           HE1      PHE  41  20.357   1.848   4.230
  301    HE2  PHE  41           HE2      PHE  41  23.049  -0.545   1.876
  302    HZ   PHE  41           HZ       PHE  41  22.349   0.372   4.078
  303    H    ARG  42           H        ARG  42  19.943   0.399  -2.883
  304    HA   ARG  42           HA       ARG  42  22.569  -0.551  -2.917
  305   1HB   ARG  42          1HB       ARG  42  20.467  -1.752  -3.559
  306   2HB   ARG  42          2HB       ARG  42  20.401  -0.810  -5.029
  307   1HG   ARG  42          1HG       ARG  42  21.287  -2.986  -5.531
  308   2HG   ARG  42          2HG       ARG  42  22.566  -1.791  -5.785
  309   1HD   ARG  42          1HD       ARG  42  23.620  -2.410  -3.663
  310   2HD   ARG  42          2HD       ARG  42  22.248  -3.471  -3.258
  311    HE   ARG  42           HE       ARG  42  23.303  -4.296  -5.748
  312   1HH1  ARG  42          1HH1      ARG  42  24.281  -4.202  -2.338
  313   2HH1  ARG  42          2HH1      ARG  42  25.333  -5.588  -2.468
  314   1HH2  ARG  42          1HH2      ARG  42  24.687  -6.114  -5.908
  315   2HH2  ARG  42          2HH2      ARG  42  25.564  -6.680  -4.511
  316    H    ASN  43           H        ASN  43  20.808   1.329  -5.338
  317    HA   ASN  43           HA       ASN  43  22.986   1.699  -7.171
  318   1HB   ASN  43          1HB       ASN  43  20.600   1.817  -7.805
  319   2HB   ASN  43          2HB       ASN  43  20.381   3.241  -6.783
  320   1HD2  ASN  43          2HD2      ASN  43  22.313   2.040  -9.588
  321   2HD2  ASN  43          1HD2      ASN  43  22.457   3.605 -10.360
  322    H    GLN  44           H        GLN  44  21.448   3.738  -4.731
  323    HA   GLN  44           HA       GLN  44  22.798   6.031  -5.018
  324   1HB   GLN  44          1HB       GLN  44  21.804   4.892  -2.375
  325   2HB   GLN  44          2HB       GLN  44  22.075   6.597  -2.771
  326   1HG   GLN  44          1HG       GLN  44  20.404   6.093  -4.726
  327   2HG   GLN  44          2HG       GLN  44  19.918   4.725  -3.753
  328   1HE2  GLN  44          2HE2      GLN  44  19.762   8.199  -4.112
  329   2HE2  GLN  44          1HE2      GLN  44  18.776   8.524  -2.703
  330    H    ARG  45           H        ARG  45  23.579   3.274  -3.042
  331    HA   ARG  45           HA       ARG  45  25.446   2.438  -2.053
  332   1HB   ARG  45          1HB       ARG  45  27.024   4.936  -2.820
  333   2HB   ARG  45          2HB       ARG  45  27.638   3.407  -2.198
  334   1HG   ARG  45          1HG       ARG  45  26.846   2.233  -4.237
  335   2HG   ARG  45          2HG       ARG  45  26.248   3.774  -4.885
  336   1HD   ARG  45          1HD       ARG  45  28.540   4.721  -4.733
  337   2HD   ARG  45          2HD       ARG  45  29.139   3.130  -4.206
  338    HE   ARG  45           HE       ARG  45  27.676   2.795  -6.611
  339   1HH1  ARG  45          1HH2      ARG  45  30.697   4.301  -5.518
  340   2HH1  ARG  45          2HH2      ARG  45  31.494   4.126  -7.060
  341   1HH2  ARG  45          1HH1      ARG  45  28.731   2.568  -8.632
  342   2HH2  ARG  45          2HH1      ARG  45  30.368   3.133  -8.841
  343    H    LYS  46           H        LYS  46  23.428   3.415  -0.727
  344    HA   LYS  46           HA       LYS  46  24.230   5.485   1.201
  345   1HB   LYS  46          1HB       LYS  46  22.094   5.502  -0.188
  346   2HB   LYS  46          2HB       LYS  46  21.577   4.097   0.753
  347   1HG   LYS  46          1HG       LYS  46  21.520   5.463   2.807
  348   2HG   LYS  46          2HG       LYS  46  22.295   6.806   1.956
  349   1HD   LYS  46          1HD       LYS  46  19.941   7.288   2.146
  350   2HD   LYS  46          2HD       LYS  46  20.328   6.987   0.447
  351   1HE   LYS  46          1HE       LYS  46  19.449   4.614   0.754
  352   2HE   LYS  46          2HE       LYS  46  18.968   5.064   2.398
  353   1HZ   LYS  46          1HZ       LYS  46  17.535   6.723   1.397
  354   2HZ   LYS  46          2HZ       LYS  46  18.040   6.275  -0.114
  355   3HZ   LYS  46          3HZ       LYS  46  17.193   5.217   0.807
  356    H    ILE  47           H        ILE  47  25.648   3.349   1.431
  357    HA   ILE  47           HA       ILE  47  24.913   1.269   3.137
  358    HB   ILE  47           HB       ILE  47  27.037   1.356   1.973
  359   1HG1  ILE  47          1HG1      ILE  47  28.574   0.573   3.709
  360   2HG1  ILE  47          2HG1      ILE  47  27.521   1.200   4.981
  361   1HG2  ILE  47          1HG2      ILE  47  27.559   3.782   2.243
  362   2HG2  ILE  47          2HG2      ILE  47  27.958   3.480   3.947
  363   3HG2  ILE  47          3HG2      ILE  47  28.913   2.728   2.663
  364   1HD1  ILE  47          1HD1      ILE  47  26.718  -0.933   2.944
  365   2HD1  ILE  47          2HD1      ILE  47  27.306  -1.264   4.586
  366   3HD1  ILE  47          3HD1      ILE  47  25.771  -0.418   4.362
  367    H    VAL  48           H        VAL  48  25.618   4.636   3.937
  368    HA   VAL  48           HA       VAL  48  24.540   4.232   6.669
  369    HB   VAL  48           HB       VAL  48  26.073   5.962   7.497
  370   1HG1  VAL  48          1HG1      VAL  48  26.605   3.570   7.816
  371   2HG1  VAL  48          2HG1      VAL  48  27.573   3.582   6.327
  372   3HG1  VAL  48          3HG1      VAL  48  28.061   4.575   7.712
  373   1HG2  VAL  48          1HG2      VAL  48  26.641   7.123   5.395
  374   2HG2  VAL  48          2HG2      VAL  48  28.095   6.597   6.253
  375   3HG2  VAL  48          3HG2      VAL  48  27.537   5.698   4.831
  Start of MODEL    8
    1   1H    LEU   1          1H        LEU   1 -35.546  -0.475   7.011
    2   2H    LEU   1          2H        LEU   1 -34.365  -0.970   8.101
    3    HA   LEU   1           HA       LEU   1 -34.545   1.687   6.846
    4   1HB   LEU   1          1HB       LEU   1 -32.308   0.445   8.497
    5   2HB   LEU   1          2HB       LEU   1 -32.299   2.061   7.782
    6    HG   LEU   1           HG       LEU   1 -34.155   1.103  10.012
    7   1HD1  LEU   1          1HD2      LEU   1 -31.804   1.395  10.699
    8   2HD1  LEU   1          2HD2      LEU   1 -31.807   3.042  10.030
    9   3HD1  LEU   1          3HD2      LEU   1 -32.848   2.638  11.412
   10   1HD2  LEU   1          1HD1      LEU   1 -33.872   3.844   8.691
   11   2HD2  LEU   1          2HD1      LEU   1 -35.317   2.807   8.671
   12   3HD2  LEU   1          3HD1      LEU   1 -34.768   3.523  10.189
   13    H    GLU   2           H        GLU   2 -32.712   2.133   5.338
   14    HA   GLU   2           HA       GLU   2 -32.367  -0.049   3.444
   15   1HB   GLU   2          1HB       GLU   2 -31.350   2.827   3.521
   16   2HB   GLU   2          2HB       GLU   2 -31.195   1.706   2.161
   17   1HG   GLU   2          1HG       GLU   2 -33.678   1.517   2.042
   18   2HG   GLU   2          2HG       GLU   2 -33.819   2.739   3.318
   19    HE2  GLU   2           HE2      GLU   2 -32.619   5.373   1.217
   20    H    GLU   3           H        GLU   3 -31.260  -1.302   5.311
   21    HA   GLU   3           HA       GLU   3 -28.668  -0.512   6.014
   22   1HB   GLU   3          1HB       GLU   3 -28.627  -2.589   7.329
   23   2HB   GLU   3          2HB       GLU   3 -30.239  -1.856   7.455
   24   1HG   GLU   3          1HG       GLU   3 -30.980  -3.251   5.536
   25   2HG   GLU   3          2HG       GLU   3 -29.389  -3.979   5.451
   26    HE2  GLU   3           HE2      GLU   3 -31.172  -6.467   7.282
   27    H    MET   4           H        MET   4 -29.221  -1.134   3.326
   28    HA   MET   4           HA       MET   4 -27.128  -2.951   2.348
   29   1HB   MET   4          1HB       MET   4 -29.098  -1.102   0.928
   30   2HB   MET   4          2HB       MET   4 -27.923  -2.171   0.159
   31   1HG   MET   4          1HG       MET   4 -29.848  -3.442   0.119
   32   2HG   MET   4          2HG       MET   4 -29.000  -4.089   1.514
   33   1HE   MET   4          1HE       MET   4 -31.930  -4.870   1.050
   34   2HE   MET   4          2HE       MET   4 -31.045  -5.301   2.535
   35   3HE   MET   4          3HE       MET   4 -32.670  -4.588   2.643
   36    H    MET   5           H        MET   5 -27.959   0.484   2.604
   37    HA   MET   5           HA       MET   5 -25.551   1.575   1.468
   38   1HB   MET   5          1HB       MET   5 -27.642   2.753   3.358
   39   2HB   MET   5          2HB       MET   5 -26.416   3.664   2.473
   40   1HG   MET   5          1HG       MET   5 -27.393   2.974   0.332
   41   2HG   MET   5          2HG       MET   5 -28.608   1.996   1.168
   42   1HE   MET   5          1HE       MET   5 -30.482   3.103  -0.263
   43   2HE   MET   5          2HE       MET   5 -30.742   4.859  -0.370
   44   3HE   MET   5          3HE       MET   5 -29.282   4.132  -1.080
   45    H    THR   6           H        THR   6 -26.689   0.635   4.684
   46    HA   THR   6           HA       THR   6 -24.499   1.727   6.180
   47    HB   THR   6           HB       THR   6 -26.378  -0.551   6.930
   48    HG1  THR   6           HG1      THR   6 -26.681   2.256   7.195
   49   1HG2  THR   6          1HG2      THR   6 -26.005   0.281   9.233
   50   2HG2  THR   6          2HG2      THR   6 -24.489  -0.265   8.497
   51   3HG2  THR   6          3HG2      THR   6 -24.841   1.474   8.621
   52    H    ALA   7           H        ALA   7 -25.259  -1.447   4.794
   53    HA   ALA   7           HA       ALA   7 -22.922  -2.815   5.749
   54   1HB   ALA   7          1HB       ALA   7 -24.734  -3.406   3.375
   55   2HB   ALA   7          2HB       ALA   7 -23.488  -4.496   4.020
   56   3HB   ALA   7          3HB       ALA   7 -24.880  -4.051   5.022
   57    H    CYS   8           H        CYS   8 -23.699  -1.664   2.474
   58    HA   CYS   8           HA       CYS   8 -20.833  -1.570   1.748
   59   1HB   CYS   8          1HB       CYS   8 -22.464  -2.646   0.220
   60   2HB   CYS   8          2HB       CYS   8 -23.301  -1.093   0.024
   61    HG   CYS   8           HG       CYS   8 -21.379   0.206  -1.005
   62    H    GLN   9           H        GLN   9 -20.896   0.120   3.608
   63    HA   GLN   9           HA       GLN   9 -21.597   2.839   2.737
   64   1HB   GLN   9          1HB       GLN   9 -21.793   1.959   5.076
   65   2HB   GLN   9          2HB       GLN   9 -20.031   1.916   5.184
   66   1HG   GLN   9          1HG       GLN   9 -19.975   4.381   4.750
   67   2HG   GLN   9          2HG       GLN   9 -21.738   4.389   4.596
   68   1HE2  GLN   9          2HE2      GLN   9 -22.924   3.340   6.571
   69   2HE2  GLN   9          1HE2      GLN   9 -22.320   3.828   8.143
   70    H    GLY  10           H        GLY  10 -20.260   2.210   0.722
   71   1HA   GLY  10          1HA       GLY  10 -18.419   2.487  -0.601
   72   2HA   GLY  10          2HA       GLY  10 -17.809   3.635   0.606
   73    H    VAL  11           H        VAL  11 -18.535   0.125   0.908
   74    HA   VAL  11           HA       VAL  11 -16.075  -0.347   2.327
   75    HB   VAL  11           HB       VAL  11 -18.271  -1.328   2.877
   76   1HG1  VAL  11          1HG2      VAL  11 -18.768  -2.019   0.520
   77   2HG1  VAL  11          2HG2      VAL  11 -17.517  -3.278   0.680
   78   3HG1  VAL  11          3HG2      VAL  11 -18.952  -3.312   1.739
   79   1HG2  VAL  11          1HG1      VAL  11 -16.164  -2.102   3.900
   80   2HG2  VAL  11          2HG1      VAL  11 -17.288  -3.445   3.638
   81   3HG2  VAL  11          3HG1      VAL  11 -15.904  -3.227   2.549
   82    H    GLY  12           H        GLY  12 -17.235  -0.954  -0.939
   83   1HA   GLY  12          1HA       GLY  12 -14.495  -1.416  -1.895
   84   2HA   GLY  12          2HA       GLY  12 -15.620  -2.774  -2.086
   85    H    GLY  13           H        GLY  13 -16.286   0.741  -2.257
   86   1HA   GLY  13          1HA       GLY  13 -17.623   0.521  -4.848
   87   2HA   GLY  13          2HA       GLY  13 -17.390   1.957  -3.831
   88    HA   PRO  14           HA       PRO  14 -14.462   2.120  -7.576
   89   1HB   PRO  14          1HB       PRO  14 -15.184   4.766  -8.236
   90   2HB   PRO  14          2HB       PRO  14 -15.850   3.286  -8.936
   91   1HG   PRO  14          1HG       PRO  14 -17.080   4.984  -6.796
   92   2HG   PRO  14          2HG       PRO  14 -17.863   4.177  -8.175
   93   1HD   PRO  14          1HD       PRO  14 -17.919   3.141  -5.663
   94   2HD   PRO  14          2HD       PRO  14 -17.834   2.083  -7.098
   95    H    GLY  15           H        GLY  15 -15.422   4.921  -5.706
   96   1HA   GLY  15          1HA       GLY  15 -13.035   6.230  -5.192
   97   2HA   GLY  15          2HA       GLY  15 -14.391   6.185  -4.053
   98    H    HIS  16           H        HIS  16 -14.335   3.362  -3.422
   99    HA   HIS  16           HA       HIS  16 -12.097   3.375  -1.546
  100   1HB   HIS  16          1HB       HIS  16 -14.482   2.347  -1.147
  101   2HB   HIS  16          2HB       HIS  16 -13.949   1.037  -2.221
  102    HD1  HIS  16           HD1      HIS  16 -13.773   2.195   1.300
  103    HD2  HIS  16           HD2      HIS  16 -11.890  -0.614  -1.222
  104    HE1  HIS  16           HE1      HIS  16 -12.449   0.594   2.798
  105    HE2  HIS  16           HE2      HIS  16 -11.267  -1.114   1.287
  106    H    LYS  17           H        LYS  17 -12.755   1.767  -4.680
  107    HA   LYS  17           HA       LYS  17 -10.603  -0.067  -4.345
  108   1HB   LYS  17          1HB       LYS  17 -12.402  -0.301  -6.074
  109   2HB   LYS  17          2HB       LYS  17 -11.790   1.144  -6.874
  110   1HG   LYS  17          1HG       LYS  17 -11.092  -0.793  -8.083
  111   2HG   LYS  17          2HG       LYS  17  -9.667   0.002  -7.407
  112   1HD   LYS  17          1HD       LYS  17  -9.565  -1.660  -5.590
  113   2HD   LYS  17          2HD       LYS  17 -11.049  -2.434  -6.169
  114   1HE   LYS  17          1HE       LYS  17  -8.428  -2.205  -7.730
  115   2HE   LYS  17          2HE       LYS  17  -8.948  -3.629  -6.814
  116   1HZ   LYS  17          1HZ       LYS  17 -10.855  -3.787  -8.245
  117   2HZ   LYS  17          2HZ       LYS  17 -10.349  -2.489  -9.127
  118   3HZ   LYS  17          3HZ       LYS  17  -9.453  -3.869  -9.107
  119    H    ALA  18           H        ALA  18 -10.852   3.339  -5.180
  120    HA   ALA  18           HA       ALA  18  -8.110   3.640  -6.091
  121   1HB   ALA  18          1HB       ALA  18  -9.898   5.226  -6.726
  122   2HB   ALA  18          2HB       ALA  18 -10.030   5.750  -5.035
  123   3HB   ALA  18          3HB       ALA  18  -8.525   6.017  -5.925
  124    H    ARG  19           H        ARG  19  -9.877   3.872  -2.906
  125    HA   ARG  19           HA       ARG  19  -7.591   4.930  -1.525
  126   1HB   ARG  19          1HB       ARG  19  -9.855   5.200  -0.629
  127   2HB   ARG  19          2HB       ARG  19 -10.063   3.452  -0.562
  128   1HG   ARG  19          1HG       ARG  19  -9.643   4.362   1.656
  129   2HG   ARG  19          2HG       ARG  19  -8.436   3.177   1.174
  130   1HD   ARG  19          1HD       ARG  19  -6.894   5.118   0.562
  131   2HD   ARG  19          2HD       ARG  19  -8.083   6.209   1.269
  132    HE   ARG  19           HE       ARG  19  -6.220   4.344   2.572
  133   1HH1  ARG  19          1HH2      ARG  19  -9.172   6.259   3.095
  134   2HH1  ARG  19          2HH2      ARG  19  -8.997   6.258   4.831
  135   1HH2  ARG  19          1HH1      ARG  19  -6.023   4.333   4.797
  136   2HH2  ARG  19          2HH1      ARG  19  -7.183   5.156   5.817
  137    H    VAL  20           H        VAL  20  -8.853   1.698  -2.114
  138    HA   VAL  20           HA       VAL  20  -7.162   0.339  -0.265
  139    HB   VAL  20           HB       VAL  20  -9.533  -0.285  -1.400
  140   1HG1  VAL  20          1HG1      VAL  20  -8.606  -0.586  -3.636
  141   2HG1  VAL  20          2HG1      VAL  20  -7.762  -2.036  -3.058
  142   3HG1  VAL  20          3HG1      VAL  20  -9.540  -1.939  -2.987
  143   1HG2  VAL  20          1HG2      VAL  20  -8.510  -1.425   0.544
  144   2HG2  VAL  20          2HG2      VAL  20  -9.200  -2.593  -0.595
  145   3HG2  VAL  20          3HG2      VAL  20  -7.442  -2.334  -0.549
  146    H    LEU  21           H        LEU  21  -7.002   1.064  -3.736
  147    HA   LEU  21           HA       LEU  21  -4.619  -0.456  -4.219
  148   1HB   LEU  21          1HB       LEU  21  -6.106   0.341  -6.040
  149   2HB   LEU  21          2HB       LEU  21  -5.752   2.014  -5.587
  150    HG   LEU  21           HG       LEU  21  -3.244   1.445  -6.016
  151   1HD1  LEU  21          1HD1      LEU  21  -4.598  -0.950  -7.364
  152   2HD1  LEU  21          2HD1      LEU  21  -2.936  -0.427  -7.670
  153   3HD1  LEU  21          3HD1      LEU  21  -3.387  -1.020  -6.064
  154   1HD2  LEU  21          1HD2      LEU  21  -5.244   1.409  -8.269
  155   2HD2  LEU  21          2HD2      LEU  21  -4.589   2.843  -7.430
  156   3HD2  LEU  21          3HD2      LEU  21  -3.503   1.813  -8.391
  157    H    ALA  22           H        ALA  22  -5.233   3.067  -3.600
  158    HA   ALA  22           HA       ALA  22  -2.621   3.965  -3.493
  159   1HB   ALA  22          1HB       ALA  22  -4.568   5.437  -3.427
  160   2HB   ALA  22          2HB       ALA  22  -4.963   4.885  -1.783
  161   3HB   ALA  22          3HB       ALA  22  -3.468   5.793  -2.082
  162    H    GLU  23           H        GLU  23  -4.447   2.318  -0.904
  163    HA   GLU  23           HA       GLU  23  -2.513   2.667   1.175
  164   1HB   GLU  23          1HB       GLU  23  -5.058   1.916   1.193
  165   2HB   GLU  23          2HB       GLU  23  -4.408   0.311   0.951
  166   1HG   GLU  23          1HG       GLU  23  -4.749   0.654   3.315
  167   2HG   GLU  23          2HG       GLU  23  -3.004   0.610   3.025
  168    HE2  GLU  23           HE2      GLU  23  -2.524   3.787   4.331
  169    H    ALA  24           H        ALA  24  -3.121   0.187  -1.268
  170    HA   ALA  24           HA       ALA  24  -1.096  -1.628  -0.255
  171   1HB   ALA  24          1HB       ALA  24  -3.042  -2.454  -1.568
  172   2HB   ALA  24          2HB       ALA  24  -2.458  -1.562  -2.992
  173   3HB   ALA  24          3HB       ALA  24  -1.502  -2.902  -2.330
  174    H    MET  25           H        MET  25  -1.139   0.989  -2.707
  175    HA   MET  25           HA       MET  25   1.528   0.509  -3.608
  176   1HB   MET  25          1HB       MET  25  -0.659   2.647  -3.813
  177   2HB   MET  25          2HB       MET  25   0.852   2.793  -4.601
  178   1HG   MET  25          1HG       MET  25  -1.141   0.571  -5.198
  179   2HG   MET  25          2HG       MET  25  -0.847   2.016  -6.122
  180   1HE   MET  25          1HE       MET  25  -0.649   0.351  -8.210
  181   2HE   MET  25          2HE       MET  25   0.615  -0.890  -8.372
  182   3HE   MET  25          3HE       MET  25  -0.699  -1.119  -7.198
  183    H    SER  26           H        SER  26   0.350   1.486  -0.678
  184    HA   SER  26           HA       SER  26   2.612   3.365  -0.142
  185   1HB   SER  26          1HB       SER  26   0.342   4.219   0.402
  186   2HB   SER  26          2HB       SER  26   0.121   2.867   1.534
  187    HG   SER  26           HG       SER  26   0.908   4.758   2.543
  188    H    GLN  27           H        GLN  27   1.205   0.202   0.403
  189    HA   GLN  27           HA       GLN  27   2.969  -0.469   2.637
  190   1HB   GLN  27          1HB       GLN  27   0.431  -1.044   2.329
  191   2HB   GLN  27          2HB       GLN  27   0.958  -2.210   1.122
  192   1HG   GLN  27          1HG       GLN  27   2.347  -3.371   2.820
  193   2HG   GLN  27          2HG       GLN  27   1.852  -2.174   4.035
  194   1HE2  GLN  27          2HE2      GLN  27   1.315  -4.502   4.964
  195   2HE2  GLN  27          1HE2      GLN  27  -0.342  -5.011   4.717
  196    H    VAL  28           H        VAL  28   2.534  -1.416  -0.800
  197    HA   VAL  28           HA       VAL  28   4.337  -3.683  -0.728
  198    HB   VAL  28           HB       VAL  28   3.120  -1.979  -2.942
  199   1HG1  VAL  28          1HG2      VAL  28   4.697  -4.583  -3.171
  200   2HG1  VAL  28          2HG2      VAL  28   3.714  -3.879  -4.472
  201   3HG1  VAL  28          3HG2      VAL  28   5.135  -3.012  -3.880
  202   1HG2  VAL  28          1HG1      VAL  28   1.586  -3.413  -1.478
  203   2HG2  VAL  28          2HG1      VAL  28   1.552  -3.745  -3.220
  204   3HG2  VAL  28          3HG1      VAL  28   2.456  -4.815  -2.108
  205    H    THR  29           H        THR  29   4.487  -0.196  -1.778
  206    HA   THR  29           HA       THR  29   7.042  -0.074  -2.715
  207    HB   THR  29           HB       THR  29   6.254   2.257  -2.086
  208    HG1  THR  29           HG1      THR  29   4.058   2.434  -1.469
  209   1HG2  THR  29          1HG2      THR  29   4.108   0.779  -3.634
  210   2HG2  THR  29          2HG2      THR  29   4.593   2.471  -3.827
  211   3HG2  THR  29          3HG2      THR  29   5.687   1.183  -4.337
  212    H    ASN  30           H        ASN  30   5.579   0.044   0.547
  213    HA   ASN  30           HA       ASN  30   7.977   0.893   1.901
  214   1HB   ASN  30          1HB       ASN  30   5.591   1.138   2.779
  215   2HB   ASN  30          2HB       ASN  30   5.636  -0.590   3.040
  216   1HD2  ASN  30          2HD2      ASN  30   7.031  -1.492   4.685
  217   2HD2  ASN  30          1HD2      ASN  30   7.730  -0.468   5.922
  218    H    SER  31           H        SER  31   6.410  -2.212   1.136
  219    HA   SER  31           HA       SER  31   8.162  -3.851   2.696
  220   1HB   SER  31          1HB       SER  31   7.126  -5.700   1.739
  221   2HB   SER  31          2HB       SER  31   5.847  -4.474   1.703
  222    HG   SER  31           HG       SER  31   6.046  -5.629  -0.251
  223    H    ALA  32           H        ALA  32   8.348  -2.415  -0.494
  224    HA   ALA  32           HA       ALA  32  10.853  -3.744  -1.246
  225   1HB   ALA  32          1HB       ALA  32   9.214  -3.174  -2.918
  226   2HB   ALA  32          2HB       ALA  32   9.370  -1.444  -2.510
  227   3HB   ALA  32          3HB       ALA  32  10.759  -2.338  -3.188
  228    H    THR  33           H        THR  33   9.870  -0.677   0.346
  229    HA   THR  33           HA       THR  33  12.453   0.570   0.135
  230    HB   THR  33           HB       THR  33   9.968   1.334   1.118
  231    HG1  THR  33           HG1      THR  33  11.535   2.626   0.162
  232   1HG2  THR  33          1HG2      THR  33  11.873   1.465   3.493
  233   2HG2  THR  33          2HG2      THR  33  10.248   2.158   3.373
  234   3HG2  THR  33          3HG2      THR  33  10.453   0.414   3.428
  235    H    ILE  34           H        ILE  34  11.017  -1.849   2.261
  236    HA   ILE  34           HA       ILE  34  13.099  -1.928   4.208
  237    HB   ILE  34           HB       ILE  34  10.949  -3.839   3.305
  238   1HG1  ILE  34          1HG1      ILE  34  11.619  -2.351   5.887
  239   2HG1  ILE  34          2HG1      ILE  34  10.311  -1.991   4.749
  240   1HG2  ILE  34          1HG2      ILE  34  13.123  -4.454   5.316
  241   2HG2  ILE  34          2HG2      ILE  34  11.677  -5.459   5.030
  242   3HG2  ILE  34          3HG2      ILE  34  12.870  -5.313   3.774
  243   1HD1  ILE  34          1HD1      ILE  34   9.434  -4.349   5.236
  244   2HD1  ILE  34          2HD1      ILE  34  10.597  -4.385   6.590
  245   3HD1  ILE  34          3HD1      ILE  34   9.322  -3.159   6.560
  246    H    MET  35           H        MET  35  12.757  -3.252   0.928
  247    HA   MET  35           HA       MET  35  14.945  -5.159   1.083
  248   1HB   MET  35          1HB       MET  35  13.778  -3.864  -1.380
  249   2HB   MET  35          2HB       MET  35  14.801  -5.294  -1.288
  250   1HG   MET  35          1HG       MET  35  12.069  -5.026  -0.004
  251   2HG   MET  35          2HG       MET  35  12.439  -5.777  -1.522
  252   1HE   MET  35          1HE       MET  35  11.026  -7.861  -0.682
  253   2HE   MET  35          2HE       MET  35  11.401  -8.789   0.789
  254   3HE   MET  35          3HE       MET  35  10.777  -7.130   0.922
  255    H    MET  36           H        MET  36  14.605  -1.756   0.048
  256    HA   MET  36           HA       MET  36  17.250  -1.391  -0.985
  257   1HB   MET  36          1HB       MET  36  15.229   0.555   0.231
  258   2HB   MET  36          2HB       MET  36  16.696   1.050  -0.613
  259   1HG   MET  36          1HG       MET  36  14.445  -0.595  -1.849
  260   2HG   MET  36          2HG       MET  36  14.648   1.140  -1.955
  261   1HE   MET  36          1HE       MET  36  16.233  -2.368  -2.861
  262   2HE   MET  36          2HE       MET  36  14.876  -1.914  -3.916
  263   3HE   MET  36          3HE       MET  36  16.518  -2.038  -4.583
  264    H    GLN  37           H        GLN  37  15.702  -0.678   2.078
  265    HA   GLN  37           HA       GLN  37  17.902   0.098   3.745
  266   1HB   GLN  37          1HB       GLN  37  15.505   0.654   4.092
  267   2HB   GLN  37          2HB       GLN  37  15.090  -1.057   4.048
  268   1HG   GLN  37          1HG       GLN  37  16.194  -1.537   6.057
  269   2HG   GLN  37          2HG       GLN  37  16.752   0.164   6.191
  270   1HE2  GLN  37          2HE2      GLN  37  14.646   1.746   5.845
  271   2HE2  GLN  37          1HE2      GLN  37  13.281   1.318   6.853
  272    H    ARG  38           H        ARG  38  16.663  -3.085   2.848
  273    HA   ARG  38           HA       ARG  38  17.618  -4.415   5.045
  274   1HB   ARG  38          1HB       ARG  38  16.224  -5.244   3.064
  275   2HB   ARG  38          2HB       ARG  38  17.681  -5.836   2.374
  276   1HG   ARG  38          1HG       ARG  38  16.599  -7.589   3.611
  277   2HG   ARG  38          2HG       ARG  38  17.921  -7.101   4.687
  278   1HD   ARG  38          1HD       ARG  38  16.404  -5.943   6.156
  279   2HD   ARG  38          2HD       ARG  38  15.162  -5.825   4.896
  280    HE   ARG  38           HE       ARG  38  15.733  -8.556   5.611
  281   1HH1  ARG  38          1HH1      ARG  38  13.896  -5.692   6.675
  282   2HH1  ARG  38          2HH1      ARG  38  12.605  -6.633   7.376
  283   1HH2  ARG  38          1HH2      ARG  38  14.065  -9.757   6.591
  284   2HH2  ARG  38          2HH2      ARG  38  12.727  -8.949   7.366
  285    H    GLY  39           H        GLY  39  19.401  -4.913   5.772
  286   1HA   GLY  39          1HA       GLY  39  21.712  -5.516   5.885
  287   2HA   GLY  39          2HA       GLY  39  21.975  -4.878   4.259
  288    H    ASN  40           H        ASN  40  20.498  -2.233   4.894
  289    HA   ASN  40           HA       ASN  40  21.265  -0.184   5.290
  290   1HB   ASN  40          1HB       ASN  40  20.449  -1.044   7.544
  291   2HB   ASN  40          2HB       ASN  40  22.143  -1.182   8.024
  292   1HD2  ASN  40          2HD2      ASN  40  23.470   0.934   7.651
  293   2HD2  ASN  40          1HD2      ASN  40  22.646   2.444   8.007
  294    H    PHE  41           H        PHE  41  22.857  -1.201   3.677
  295    HA   PHE  41           HA       PHE  41  25.589  -0.247   4.176
  296   1HB   PHE  41          1HB       PHE  41  25.621  -2.584   5.009
  297   2HB   PHE  41          2HB       PHE  41  24.929  -3.165   3.515
  298    HD1  PHE  41           HD1      PHE  41  26.268  -3.390   1.476
  299    HD2  PHE  41           HD2      PHE  41  27.977  -1.720   5.069
  300    HE1  PHE  41           HE1      PHE  41  28.538  -3.648   0.519
  301    HE2  PHE  41           HE2      PHE  41  30.249  -2.006   4.113
  302    HZ   PHE  41           HZ       PHE  41  30.532  -2.991   1.845
  303    H    ARG  42           H        ARG  42  23.502  -2.263   2.173
  304    HA   ARG  42           HA       ARG  42  24.313  -1.413  -0.425
  305   1HB   ARG  42          1HB       ARG  42  22.923  -3.441   0.359
  306   2HB   ARG  42          2HB       ARG  42  21.572  -2.347   0.480
  307   1HG   ARG  42          1HG       ARG  42  22.619  -1.836  -2.106
  308   2HG   ARG  42          2HG       ARG  42  22.797  -3.579  -1.908
  309   1HD   ARG  42          1HD       ARG  42  20.612  -3.095  -2.912
  310   2HD   ARG  42          2HD       ARG  42  20.391  -3.750  -1.288
  311    HE   ARG  42           HE       ARG  42  19.481  -1.772  -0.574
  312   1HH1  ARG  42          1HH1      ARG  42  21.118  -1.140  -3.672
  313   2HH1  ARG  42          2HH1      ARG  42  20.594   0.521  -3.740
  314   1HH2  ARG  42          1HH2      ARG  42  18.844   0.386  -0.672
  315   2HH2  ARG  42          2HH2      ARG  42  19.261   1.390  -2.042
  316    H    ASN  43           H        ASN  43  21.948  -0.370   1.946
  317    HA   ASN  43           HA       ASN  43  20.524   1.640   0.487
  318   1HB   ASN  43          1HB       ASN  43  19.802   0.463   2.624
  319   2HB   ASN  43          2HB       ASN  43  21.014   1.382   3.488
  320   1HD2  ASN  43          2HD2      ASN  43  18.009   1.629   1.569
  321   2HD2  ASN  43          1HD2      ASN  43  17.544   3.208   2.167
  322    H    GLN  44           H        GLN  44  23.097   1.727   2.927
  323    HA   GLN  44           HA       GLN  44  23.593   4.347   3.112
  324   1HB   GLN  44          1HB       GLN  44  25.472   2.034   3.388
  325   2HB   GLN  44          2HB       GLN  44  25.835   3.667   3.943
  326   1HG   GLN  44          1HG       GLN  44  23.239   2.274   4.825
  327   2HG   GLN  44          2HG       GLN  44  24.780   1.923   5.521
  328   1HE2  GLN  44          2HE2      GLN  44  26.069   3.933   6.331
  329   2HE2  GLN  44          1HE2      GLN  44  25.121   5.191   7.096
  330    H    ARG  45           H        ARG  45  25.005   1.920   1.003
  331    HA   ARG  45           HA       ARG  45  25.766   1.847  -1.046
  332   1HB   ARG  45          1HB       ARG  45  24.334   3.767  -1.679
  333   2HB   ARG  45          2HB       ARG  45  25.676   4.881  -1.329
  334   1HG   ARG  45          1HG       ARG  45  27.104   3.717  -2.963
  335   2HG   ARG  45          2HG       ARG  45  25.835   2.506  -3.222
  336   1HD   ARG  45          1HD       ARG  45  24.348   4.259  -4.123
  337   2HD   ARG  45          2HD       ARG  45  25.639   5.455  -3.955
  338    HE   ARG  45           HE       ARG  45  25.424   3.181  -5.844
  339   1HH1  ARG  45          1HH1      ARG  45  27.580   5.726  -4.602
  340   2HH1  ARG  45          2HH1      ARG  45  28.769   5.485  -5.855
  341   1HH2  ARG  45          1HH2      ARG  45  27.017   2.825  -7.396
  342   2HH2  ARG  45          2HH2      ARG  45  28.423   3.863  -7.495
  343    H    LYS  46           H        LYS  46  27.588   0.937  -0.202
  344    HA   LYS  46           HA       LYS  46  29.955   2.563   0.370
  345   1HB   LYS  46          1HB       LYS  46  29.112   0.576   1.778
  346   2HB   LYS  46          2HB       LYS  46  29.542  -0.443   0.411
  347   1HG   LYS  46          1HG       LYS  46  31.295  -0.560   1.976
  348   2HG   LYS  46          2HG       LYS  46  31.939   0.385   0.630
  349   1HD   LYS  46          1HD       LYS  46  31.569   2.476   1.915
  350   2HD   LYS  46          2HD       LYS  46  30.817   1.544   3.228
  351   1HE   LYS  46          1HE       LYS  46  32.954   0.332   3.583
  352   2HE   LYS  46          2HE       LYS  46  33.698   1.250   2.258
  353   1HZ   LYS  46          1HZ       LYS  46  32.629   2.392   4.744
  354   2HZ   LYS  46          2HZ       LYS  46  34.221   2.174   4.384
  355   3HZ   LYS  46          3HZ       LYS  46  33.321   3.244   3.514
  356    H    ILE  47           H        ILE  47  29.089   3.008  -1.979
  357    HA   ILE  47           HA       ILE  47  29.566   3.207  -4.183
  358    HB   ILE  47           HB       ILE  47  32.072   1.549  -3.726
  359   1HG1  ILE  47          1HG1      ILE  47  32.170   3.345  -2.119
  360   2HG1  ILE  47          2HG1      ILE  47  33.267   3.677  -3.451
  361   1HG2  ILE  47          1HG2      ILE  47  31.284   3.563  -5.872
  362   2HG2  ILE  47          2HG2      ILE  47  32.906   2.868  -5.666
  363   3HG2  ILE  47          3HG2      ILE  47  31.542   1.825  -6.081
  364   1HD1  ILE  47          1HD1      ILE  47  31.617   5.291  -4.408
  365   2HD1  ILE  47          2HD1      ILE  47  30.532   4.971  -3.033
  366   3HD1  ILE  47          3HD1      ILE  47  32.116   5.708  -2.762
  367    H    VAL  48           H        VAL  48  27.615   2.009  -4.378
  368    HA   VAL  48           HA       VAL  48  27.942  -0.311  -6.099
  369    HB   VAL  48           HB       VAL  48  27.876  -1.488  -4.059
  370   1HG1  VAL  48          1HG2      VAL  48  26.985   0.212  -2.508
  371   2HG1  VAL  48          2HG2      VAL  48  25.354  -0.032  -3.172
  372   3HG1  VAL  48          3HG2      VAL  48  26.185  -1.352  -2.346
  373   1HG2  VAL  48          1HG1      VAL  48  26.497  -2.375  -5.912
  374   2HG2  VAL  48          2HG1      VAL  48  25.910  -2.870  -4.314
  375   3HG2  VAL  48          3HG1      VAL  48  25.062  -1.597  -5.208
  Start of MODEL    9
    1   1H    LEU   1          1H        LEU   1 -38.815  -0.719   4.738
    2   2H    LEU   1          2H        LEU   1 -39.004  -2.364   5.029
    3    HA   LEU   1           HA       LEU   1 -38.523  -2.404   2.882
    4   1HB   LEU   1          1HB       LEU   1 -37.266  -0.907   1.650
    5   2HB   LEU   1          2HB       LEU   1 -38.105   0.098   2.826
    6    HG   LEU   1           HG       LEU   1 -35.160  -0.749   2.915
    7   1HD1  LEU   1          1HD1      LEU   1 -35.724   0.875   1.146
    8   2HD1  LEU   1          2HD1      LEU   1 -36.455   1.945   2.361
    9   3HD1  LEU   1          3HD1      LEU   1 -34.714   1.597   2.409
   10   1HD2  LEU   1          1HD2      LEU   1 -36.756   1.043   4.801
   11   2HD2  LEU   1          2HD2      LEU   1 -35.867  -0.443   5.222
   12   3HD2  LEU   1          3HD2      LEU   1 -34.984   0.997   4.724
   13    H    GLU   2           H        GLU   2 -36.548  -3.172   1.555
   14    HA   GLU   2           HA       GLU   2 -35.031  -5.069   3.170
   15   1HB   GLU   2          1HB       GLU   2 -35.159  -4.469   0.177
   16   2HB   GLU   2          2HB       GLU   2 -34.173  -5.725   0.927
   17   1HG   GLU   2          1HG       GLU   2 -36.127  -6.810   0.145
   18   2HG   GLU   2          2HG       GLU   2 -36.249  -6.748   1.906
   19    HE2  GLU   2           HE2      GLU   2 -38.753  -4.514  -0.415
   20    H    GLU   3           H        GLU   3 -34.021  -3.287   4.410
   21    HA   GLU   3           HA       GLU   3 -32.243  -1.521   3.181
   22   1HB   GLU   3          1HB       GLU   3 -31.754  -0.787   5.490
   23   2HB   GLU   3          2HB       GLU   3 -33.486  -1.150   5.360
   24   1HG   GLU   3          1HG       GLU   3 -33.019  -3.476   6.108
   25   2HG   GLU   3          2HG       GLU   3 -31.327  -3.086   6.278
   26    HE2  GLU   3           HE2      GLU   3 -31.804  -1.114   9.215
   27    H    MET   4           H        MET   4 -31.669  -4.234   2.905
   28    HA   MET   4           HA       MET   4 -28.936  -4.787   3.761
   29   1HB   MET   4          1HB       MET   4 -30.513  -6.595   3.134
   30   2HB   MET   4          2HB       MET   4 -30.557  -5.985   1.470
   31   1HG   MET   4          1HG       MET   4 -28.139  -6.466   1.226
   32   2HG   MET   4          2HG       MET   4 -28.060  -6.955   2.922
   33   1HE   MET   4          1HE       MET   4 -29.243  -7.780  -0.668
   34   2HE   MET   4          2HE       MET   4 -30.034  -9.363  -0.494
   35   3HE   MET   4          3HE       MET   4 -30.831  -7.905   0.131
   36    H    MET   5           H        MET   5 -30.512  -3.530   0.845
   37    HA   MET   5           HA       MET   5 -28.172  -2.953  -0.682
   38   1HB   MET   5          1HB       MET   5 -29.607  -1.935  -2.196
   39   2HB   MET   5          2HB       MET   5 -30.458  -3.350  -1.557
   40   1HG   MET   5          1HG       MET   5 -31.458  -1.762   0.160
   41   2HG   MET   5          2HG       MET   5 -30.781  -0.453  -0.812
   42   1HE   MET   5          1HE       MET   5 -33.286   0.549  -0.701
   43   2HE   MET   5          2HE       MET   5 -34.715  -0.305  -1.329
   44   3HE   MET   5          3HE       MET   5 -33.892  -0.904   0.130
   45    H    THR   6           H        THR   6 -30.012  -1.229   1.768
   46    HA   THR   6           HA       THR   6 -28.811   1.343   1.316
   47    HB   THR   6           HB       THR   6 -30.228   0.333   3.812
   48    HG1  THR   6           HG1      THR   6 -32.082   1.163   2.751
   49   1HG2  THR   6          1HG2      THR   6 -30.883   2.708   4.044
   50   2HG2  THR   6          2HG2      THR   6 -29.121   2.529   4.084
   51   3HG2  THR   6          3HG2      THR   6 -29.920   3.120   2.610
   52    H    ALA   7           H        ALA   7 -28.227  -1.362   3.527
   53    HA   ALA   7           HA       ALA   7 -26.060  -0.174   4.995
   54   1HB   ALA   7          1HB       ALA   7 -26.750  -3.100   4.491
   55   2HB   ALA   7          2HB       ALA   7 -25.587  -2.496   5.690
   56   3HB   ALA   7          3HB       ALA   7 -27.311  -2.100   5.846
   57    H    CYS   8           H        CYS   8 -26.139  -2.525   2.330
   58    HA   CYS   8           HA       CYS   8 -23.281  -2.153   1.732
   59   1HB   CYS   8          1HB       CYS   8 -24.382  -4.405   1.728
   60   2HB   CYS   8          2HB       CYS   8 -25.345  -3.902   0.324
   61    HG   CYS   8           HG       CYS   8 -23.349  -5.464  -0.372
   62    H    GLN   9           H        GLN   9 -24.107   0.209   1.483
   63    HA   GLN   9           HA       GLN   9 -24.812   0.800  -1.362
   64   1HB   GLN   9          1HB       GLN   9 -26.357   1.661   0.329
   65   2HB   GLN   9          2HB       GLN   9 -25.039   2.514   1.142
   66   1HG   GLN   9          1HG       GLN   9 -24.683   3.890  -0.892
   67   2HG   GLN   9          2HG       GLN   9 -25.953   2.987  -1.736
   68   1HE2  GLN   9          2HE2      GLN   9 -28.150   2.929  -0.478
   69   2HE2  GLN   9          1HE2      GLN   9 -28.655   4.459   0.210
   70    H    GLY  10           H        GLY  10 -22.906   2.122   1.331
   71   1HA   GLY  10          1HA       GLY  10 -20.923   3.423  -0.323
   72   2HA   GLY  10          2HA       GLY  10 -20.833   3.130   1.423
   73    H    VAL  11           H        VAL  11 -20.720   0.592   1.917
   74    HA   VAL  11           HA       VAL  11 -19.336  -1.058   2.160
   75    HB   VAL  11           HB       VAL  11 -21.016  -1.764   0.762
   76   1HG1  VAL  11          1HG1      VAL  11 -19.044  -1.366  -1.497
   77   2HG1  VAL  11          2HG1      VAL  11 -20.513  -2.377  -1.597
   78   3HG1  VAL  11          3HG1      VAL  11 -20.661  -0.635  -1.287
   79   1HG2  VAL  11          1HG2      VAL  11 -19.383  -3.352   1.741
   80   2HG2  VAL  11          2HG2      VAL  11 -19.986  -3.942   0.185
   81   3HG2  VAL  11          3HG2      VAL  11 -18.369  -3.228   0.288
   82    H    GLY  12           H        GLY  12 -18.123   1.176   2.112
   83   1HA   GLY  12          1HA       GLY  12 -15.863   1.872   2.305
   84   2HA   GLY  12          2HA       GLY  12 -15.347   0.535   1.262
   85    H    GLY  13           H        GLY  13 -16.717   3.766   1.384
   86   1HA   GLY  13          1HA       GLY  13 -17.431   4.149  -1.296
   87   2HA   GLY  13          2HA       GLY  13 -16.957   5.434  -0.168
   88    HA   PRO  14           HA       PRO  14 -13.824   4.519  -3.788
   89   1HB   PRO  14          1HB       PRO  14 -14.191   6.963  -5.133
   90   2HB   PRO  14          2HB       PRO  14 -15.038   5.449  -5.466
   91   1HG   PRO  14          1HG       PRO  14 -16.082   7.763  -3.878
   92   2HG   PRO  14          2HG       PRO  14 -16.915   6.786  -5.112
   93   1HD   PRO  14          1HD       PRO  14 -17.255   6.319  -2.463
   94   2HD   PRO  14          2HD       PRO  14 -17.198   4.967  -3.631
   95    H    GLY  15           H        GLY  15 -14.599   7.687  -2.559
   96   1HA   GLY  15          1HA       GLY  15 -12.157   8.981  -2.428
   97   2HA   GLY  15          2HA       GLY  15 -13.439   9.232  -1.231
   98    H    HIS  16           H        HIS  16 -13.448   6.709   0.058
   99    HA   HIS  16           HA       HIS  16 -10.932   6.868   1.610
  100   1HB   HIS  16          1HB       HIS  16 -13.245   6.444   2.691
  101   2HB   HIS  16          2HB       HIS  16 -13.267   4.890   1.829
  102    HD1  HIS  16           HD1      HIS  16 -11.646   6.642   4.768
  103    HD2  HIS  16           HD2      HIS  16 -11.648   2.890   2.829
  104    HE1  HIS  16           HE1      HIS  16 -10.477   4.976   6.322
  105    HE2  HIS  16           HE2      HIS  16 -10.429   2.692   5.154
  106    H    LYS  17           H        LYS  17 -12.352   4.751  -0.856
  107    HA   LYS  17           HA       LYS  17 -10.446   2.647  -0.449
  108   1HB   LYS  17          1HB       LYS  17 -12.398   3.398  -2.572
  109   2HB   LYS  17          2HB       LYS  17 -11.065   2.335  -2.986
  110   1HG   LYS  17          1HG       LYS  17 -11.622   0.797  -1.172
  111   2HG   LYS  17          2HG       LYS  17 -12.898   1.896  -0.606
  112   1HD   LYS  17          1HD       LYS  17 -14.149   1.556  -2.677
  113   2HD   LYS  17          2HD       LYS  17 -12.871   0.518  -3.335
  114   1HE   LYS  17          1HE       LYS  17 -13.280  -1.227  -1.805
  115   2HE   LYS  17          2HE       LYS  17 -14.064  -0.160  -0.637
  116   1HZ   LYS  17          1HZ       LYS  17 -15.907   0.068  -2.085
  117   2HZ   LYS  17          2HZ       LYS  17 -15.244  -0.963  -3.199
  118   3HZ   LYS  17          3HZ       LYS  17 -15.673  -1.508  -1.696
  119    H    ALA  18           H        ALA  18 -10.318   5.811  -1.933
  120    HA   ALA  18           HA       ALA  18  -7.810   5.395  -3.327
  121   1HB   ALA  18          1HB       ALA  18  -9.429   7.176  -3.945
  122   2HB   ALA  18          2HB       ALA  18  -9.116   7.986  -2.397
  123   3HB   ALA  18          3HB       ALA  18  -7.812   7.813  -3.580
  124    H    ARG  19           H        ARG  19  -8.846   6.557  -0.023
  125    HA   ARG  19           HA       ARG  19  -6.190   7.337   0.742
  126   1HB   ARG  19          1HB       ARG  19  -8.549   7.899   1.753
  127   2HB   ARG  19          2HB       ARG  19  -8.328   6.421   2.691
  128   1HG   ARG  19          1HG       ARG  19  -6.054   7.343   3.423
  129   2HG   ARG  19          2HG       ARG  19  -6.480   8.842   2.579
  130   1HD   ARG  19          1HD       ARG  19  -7.001   9.226   4.842
  131   2HD   ARG  19          2HD       ARG  19  -8.569   8.946   4.057
  132    HE   ARG  19           HE       ARG  19  -7.605   6.459   5.005
  133   1HH1  ARG  19          1HH1      ARG  19  -8.686   9.555   6.364
  134   2HH1  ARG  19          2HH1      ARG  19  -9.063   8.885   7.930
  135   1HH2  ARG  19          1HH2      ARG  19  -8.058   5.598   7.084
  136   2HH2  ARG  19          2HH2      ARG  19  -8.719   6.620   8.334
  137    H    VAL  20           H        VAL  20  -8.114   4.434   1.092
  138    HA   VAL  20           HA       VAL  20  -6.364   3.041   2.860
  139    HB   VAL  20           HB       VAL  20  -9.009   2.830   2.304
  140   1HG1  VAL  20          1HG1      VAL  20  -8.589   1.787   0.070
  141   2HG1  VAL  20          2HG1      VAL  20  -8.069   0.336   0.940
  142   3HG1  VAL  20          3HG1      VAL  20  -9.711   0.976   1.171
  143   1HG2  VAL  20          1HG2      VAL  20  -7.866   1.910   4.283
  144   2HG2  VAL  20          2HG2      VAL  20  -8.992   0.727   3.594
  145   3HG2  VAL  20          3HG2      VAL  20  -7.246   0.559   3.307
  146    H    LEU  21           H        LEU  21  -6.831   3.108  -0.657
  147    HA   LEU  21           HA       LEU  21  -4.948   0.997  -1.212
  148   1HB   LEU  21          1HB       LEU  21  -6.550   1.751  -2.928
  149   2HB   LEU  21          2HB       LEU  21  -5.898   3.395  -2.837
  150    HG   LEU  21           HG       LEU  21  -3.635   2.463  -3.661
  151   1HD1  LEU  21          1HD1      LEU  21  -5.371  -0.003  -4.184
  152   2HD1  LEU  21          2HD1      LEU  21  -3.738   0.277  -4.820
  153   3HD1  LEU  21          3HD1      LEU  21  -3.981   0.073  -3.080
  154   1HD2  LEU  21          1HD2      LEU  21  -6.120   2.141  -5.378
  155   2HD2  LEU  21          2HD2      LEU  21  -5.238   3.655  -5.067
  156   3HD2  LEU  21          3HD2      LEU  21  -4.448   2.342  -5.969
  157    H    ALA  22           H        ALA  22  -4.708   4.641  -1.137
  158    HA   ALA  22           HA       ALA  22  -2.004   4.836  -1.754
  159   1HB   ALA  22          1HB       ALA  22  -3.501   6.762  -1.595
  160   2HB   ALA  22          2HB       ALA  22  -3.599   6.574   0.170
  161   3HB   ALA  22          3HB       ALA  22  -2.057   7.001  -0.595
  162    H    GLU  23           H        GLU  23  -3.491   4.063   1.396
  163    HA   GLU  23           HA       GLU  23  -1.148   4.227   3.013
  164   1HB   GLU  23          1HB       GLU  23  -3.652   4.093   3.667
  165   2HB   GLU  23          2HB       GLU  23  -3.505   2.361   3.425
  166   1HG   GLU  23          1HG       GLU  23  -1.635   2.280   5.076
  167   2HG   GLU  23          2HG       GLU  23  -1.836   4.018   5.362
  168    HE2  GLU  23           HE2      GLU  23  -4.941   3.590   7.053
  169    H    ALA  24           H        ALA  24  -2.777   1.608   1.273
  170    HA   ALA  24           HA       ALA  24  -0.936  -0.451   2.167
  171   1HB   ALA  24          1HB       ALA  24  -3.285  -0.997   1.493
  172   2HB   ALA  24          2HB       ALA  24  -2.911  -0.491  -0.175
  173   3HB   ALA  24          3HB       ALA  24  -2.097  -1.898   0.526
  174    H    MET  25           H        MET  25  -1.123   1.653  -0.683
  175    HA   MET  25           HA       MET  25   0.729   0.211  -2.326
  176   1HB   MET  25          1HB       MET  25  -0.231   3.100  -2.191
  177   2HB   MET  25          2HB       MET  25   0.983   2.562  -3.356
  178   1HG   MET  25          1HG       MET  25  -1.722   1.207  -3.098
  179   2HG   MET  25          2HG       MET  25  -1.434   2.604  -4.118
  180   1HE   MET  25          1HE       MET  25  -0.174   2.598  -6.323
  181   2HE   MET  25          2HE       MET  25   1.366   2.084  -5.588
  182   3HE   MET  25          3HE       MET  25   0.726   1.223  -7.001
  183    H    SER  26           H        SER  26   0.963   3.090  -0.202
  184    HA   SER  26           HA       SER  26   3.731   3.407  -0.182
  185   1HB   SER  26          1HB       SER  26   1.766   3.832   2.103
  186   2HB   SER  26          2HB       SER  26   3.432   4.444   2.061
  187    HG   SER  26           HG       SER  26   1.835   5.949   1.301
  188    H    GLN  27           H        GLN  27   1.816   1.087   1.711
  189    HA   GLN  27           HA       GLN  27   4.004   0.245   3.370
  190   1HB   GLN  27          1HB       GLN  27   1.519   0.040   3.943
  191   2HB   GLN  27          2HB       GLN  27   1.373  -1.170   2.687
  192   1HG   GLN  27          1HG       GLN  27   1.549  -2.179   4.916
  193   2HG   GLN  27          2HG       GLN  27   2.819  -2.727   3.826
  194   1HE2  GLN  27          2HE2      GLN  27   5.022  -2.063   4.210
  195   2HE2  GLN  27          1HE2      GLN  27   5.498  -1.403   5.763
  196    H    VAL  28           H        VAL  28   2.507  -1.013   0.412
  197    HA   VAL  28           HA       VAL  28   3.861  -3.559   0.349
  198    HB   VAL  28           HB       VAL  28   2.398  -1.895  -1.719
  199   1HG1  VAL  28          1HG2      VAL  28   3.393  -4.763  -1.953
  200   2HG1  VAL  28          2HG2      VAL  28   2.226  -3.999  -3.055
  201   3HG1  VAL  28          3HG2      VAL  28   3.880  -3.382  -2.960
  202   1HG2  VAL  28          1HG1      VAL  28   1.210  -3.036   0.394
  203   2HG2  VAL  28          2HG1      VAL  28   0.479  -3.072  -1.220
  204   3HG2  VAL  28          3HG1      VAL  28   1.357  -4.483  -0.588
  205    H    THR  29           H        THR  29   4.256  -0.406  -1.356
  206    HA   THR  29           HA       THR  29   6.523  -0.843  -2.800
  207    HB   THR  29           HB       THR  29   5.099   1.522  -1.472
  208    HG1  THR  29           HG1      THR  29   3.720   0.383  -2.852
  209   1HG2  THR  29          1HG2      THR  29   5.783   2.826  -3.262
  210   2HG2  THR  29          2HG2      THR  29   7.162   2.241  -2.252
  211   3HG2  THR  29          3HG2      THR  29   6.820   1.470  -3.869
  212    H    ASN  30           H        ASN  30   6.054   0.077   0.620
  213    HA   ASN  30           HA       ASN  30   8.824   0.703   1.135
  214   1HB   ASN  30          1HB       ASN  30   6.748   1.256   2.602
  215   2HB   ASN  30          2HB       ASN  30   6.963  -0.352   3.260
  216   1HD2  ASN  30          2HD2      ASN  30   9.235  -0.895   4.093
  217   2HD2  ASN  30          1HD2      ASN  30  10.086   0.400   4.907
  218    H    SER  31           H        SER  31   6.776  -2.150   1.504
  219    HA   SER  31           HA       SER  31   8.708  -3.886   2.714
  220   1HB   SER  31          1HB       SER  31   6.268  -4.613   1.035
  221   2HB   SER  31          2HB       SER  31   7.201  -5.714   2.061
  222    HG   SER  31           HG       SER  31   5.352  -4.849   3.115
  223    H    ALA  32           H        ALA  32   8.107  -2.885  -0.583
  224    HA   ALA  32           HA       ALA  32  10.054  -4.800  -1.724
  225   1HB   ALA  32          1HB       ALA  32   8.070  -4.289  -2.976
  226   2HB   ALA  32          2HB       ALA  32   8.533  -2.564  -3.041
  227   3HB   ALA  32          3HB       ALA  32   9.549  -3.802  -3.831
  228    H    THR  33           H        THR  33   9.987  -1.421  -0.571
  229    HA   THR  33           HA       THR  33  12.511  -0.696  -1.763
  230    HB   THR  33           HB       THR  33  10.546   0.628  -0.251
  231    HG1  THR  33           HG1      THR  33  11.829   1.475  -1.894
  232   1HG2  THR  33          1HG2      THR  33  13.134   0.814   1.342
  233   2HG2  THR  33          2HG2      THR  33  11.649   1.746   1.585
  234   3HG2  THR  33          3HG2      THR  33  11.663   0.021   1.925
  235    H    ILE  34           H        ILE  34  11.508  -2.497   1.114
  236    HA   ILE  34           HA       ILE  34  14.059  -2.626   2.379
  237    HB   ILE  34           HB       ILE  34  11.519  -4.238   2.378
  238   1HG1  ILE  34          1HG1      ILE  34  13.268  -2.937   4.513
  239   2HG1  ILE  34          2HG1      ILE  34  11.753  -2.307   3.831
  240   1HG2  ILE  34          1HG2      ILE  34  13.203  -6.036   2.254
  241   2HG2  ILE  34          2HG2      ILE  34  14.078  -5.290   3.618
  242   3HG2  ILE  34          3HG2      ILE  34  12.443  -5.976   3.813
  243   1HD1  ILE  34          1HD1      ILE  34  10.657  -4.469   4.667
  244   2HD1  ILE  34          2HD1      ILE  34  12.161  -4.750   5.587
  245   3HD1  ILE  34          3HD1      ILE  34  11.188  -3.305   5.912
  246    H    MET  35           H        MET  35  12.540  -4.373  -0.341
  247    HA   MET  35           HA       MET  35  14.466  -6.484  -0.471
  248   1HB   MET  35          1HB       MET  35  12.709  -5.455  -2.705
  249   2HB   MET  35          2HB       MET  35  13.577  -6.986  -2.644
  250   1HG   MET  35          1HG       MET  35  11.438  -6.119  -0.676
  251   2HG   MET  35          2HG       MET  35  11.231  -7.155  -2.055
  252   1HE   MET  35          1HE       MET  35   9.963  -8.750  -0.319
  253   2HE   MET  35          2HE       MET  35  10.753  -9.521   1.076
  254   3HE   MET  35          3HE       MET  35  10.426  -7.773   1.096
  255    H    MET  36           H        MET  36  14.155  -3.261  -2.025
  256    HA   MET  36           HA       MET  36  16.389  -3.592  -3.779
  257   1HB   MET  36          1HB       MET  36  15.671  -1.621  -4.620
  258   2HB   MET  36          2HB       MET  36  14.253  -1.939  -3.638
  259   1HG   MET  36          1HG       MET  36  14.626   0.168  -3.127
  260   2HG   MET  36          2HG       MET  36  15.509  -0.517  -1.809
  261   1HE   MET  36          1HE       MET  36  16.044   2.352  -2.135
  262   2HE   MET  36          2HE       MET  36  17.065   1.336  -1.086
  263   3HE   MET  36          3HE       MET  36  17.818   2.473  -2.227
  264    H    GLN  37           H        GLN  37  15.915  -2.265  -0.539
  265    HA   GLN  37           HA       GLN  37  18.475  -1.193  -0.065
  266   1HB   GLN  37          1HB       GLN  37  16.452  -0.429   1.014
  267   2HB   GLN  37          2HB       GLN  37  16.097  -2.049   1.629
  268   1HG   GLN  37          1HG       GLN  37  17.864  -2.045   3.119
  269   2HG   GLN  37          2HG       GLN  37  18.594  -0.595   2.356
  270   1HE2  GLN  37          2HE2      GLN  37  15.351  -1.517   3.713
  271   2HE2  GLN  37          1HE2      GLN  37  15.163  -0.067   4.677
  272    H    ARG  38           H        ARG  38  17.064  -4.408   0.384
  273    HA   ARG  38           HA       ARG  38  19.173  -5.456   2.043
  274   1HB   ARG  38          1HB       ARG  38  16.600  -6.166   1.679
  275   2HB   ARG  38          2HB       ARG  38  17.288  -7.122   0.402
  276   1HG   ARG  38          1HG       ARG  38  17.883  -8.704   1.994
  277   2HG   ARG  38          2HG       ARG  38  18.768  -7.489   2.923
  278   1HD   ARG  38          1HD       ARG  38  17.042  -8.337   4.366
  279   2HD   ARG  38          2HD       ARG  38  16.578  -6.692   3.906
  280    HE   ARG  38           HE       ARG  38  15.456  -8.633   2.101
  281   1HH1  ARG  38          1HH1      ARG  38  15.003  -7.280   5.362
  282   2HH1  ARG  38          2HH1      ARG  38  13.323  -7.742   5.452
  283   1HH2  ARG  38          1HH2      ARG  38  13.268  -9.254   2.254
  284   2HH2  ARG  38          2HH2      ARG  38  12.334  -8.872   3.677
  285    H    GLY  39           H        GLY  39  20.356  -4.356   0.078
  286   1HA   GLY  39          1HA       GLY  39  22.218  -6.089  -1.137
  287   2HA   GLY  39          2HA       GLY  39  20.980  -5.676  -2.351
  288    H    ASN  40           H        ASN  40  20.280  -3.175  -2.061
  289    HA   ASN  40           HA       ASN  40  22.642  -1.543  -2.552
  290   1HB   ASN  40          1HB       ASN  40  20.489  -1.380  -3.831
  291   2HB   ASN  40          2HB       ASN  40  19.733  -0.677  -2.396
  292   1HD2  ASN  40          2HD2      ASN  40  20.644   1.383  -1.564
  293   2HD2  ASN  40          1HD2      ASN  40  21.387   2.493  -2.706
  294    H    PHE  41           H        PHE  41  23.431  -2.143  -0.397
  295    HA   PHE  41           HA       PHE  41  23.360   0.028   1.448
  296   1HB   PHE  41          1HB       PHE  41  21.244  -1.109   2.145
  297   2HB   PHE  41          2HB       PHE  41  22.113  -2.605   2.396
  298    HD1  PHE  41           HD1      PHE  41  21.562   0.843   3.638
  299    HD2  PHE  41           HD2      PHE  41  23.557  -2.913   4.367
  300    HE1  PHE  41           HE1      PHE  41  22.098   1.570   5.948
  301    HE2  PHE  41           HE2      PHE  41  24.097  -2.174   6.670
  302    HZ   PHE  41           HZ       PHE  41  23.368   0.065   7.466
  303    H    ARG  42           H        ARG  42  23.722  -3.488   1.254
  304    HA   ARG  42           HA       ARG  42  26.249  -3.772   2.549
  305   1HB   ARG  42          1HB       ARG  42  24.473  -5.524   2.035
  306   2HB   ARG  42          2HB       ARG  42  25.059  -5.531   0.378
  307   1HG   ARG  42          1HG       ARG  42  27.352  -6.127   1.190
  308   2HG   ARG  42          2HG       ARG  42  26.732  -6.191   2.849
  309   1HD   ARG  42          1HD       ARG  42  25.780  -7.906   0.514
  310   2HD   ARG  42          2HD       ARG  42  26.900  -8.432   1.788
  311    HE   ARG  42           HE       ARG  42  24.637  -7.495   3.121
  312   1HH1  ARG  42          1HH1      ARG  42  25.381 -10.093   0.819
  313   2HH1  ARG  42          2HH1      ARG  42  24.096 -11.131   1.380
  314   1HH2  ARG  42          1HH2      ARG  42  22.953  -8.866   3.847
  315   2HH2  ARG  42          2HH2      ARG  42  22.711 -10.430   3.113
  316    H    ASN  43           H        ASN  43  25.198  -3.482  -0.804
  317    HA   ASN  43           HA       ASN  43  27.772  -3.584  -2.066
  318   1HB   ASN  43          1HB       ASN  43  25.632  -4.107  -3.205
  319   2HB   ASN  43          2HB       ASN  43  25.110  -2.429  -3.002
  320   1HD2  ASN  43          2HD2      ASN  43  27.755  -4.415  -4.451
  321   2HD2  ASN  43          1HD2      ASN  43  28.049  -3.329  -5.793
  322    H    GLN  44           H        GLN  44  25.615  -0.961  -1.006
  323    HA   GLN  44           HA       GLN  44  26.827   1.141  -2.105
  324   1HB   GLN  44          1HB       GLN  44  25.255   0.930   0.432
  325   2HB   GLN  44          2HB       GLN  44  25.626   2.475  -0.333
  326   1HG   GLN  44          1HG       GLN  44  24.315   0.227  -1.935
  327   2HG   GLN  44          2HG       GLN  44  23.456   1.306  -0.887
  328   1HE2  GLN  44          2HE2      GLN  44  23.553   3.678  -1.358
  329   2HE2  GLN  44          1HE2      GLN  44  23.841   4.197  -3.007
  330    H    ARG  45           H        ARG  45  27.660   3.044  -0.789
  331    HA   ARG  45           HA       ARG  45  29.384   4.104   0.202
  332   1HB   ARG  45          1HB       ARG  45  29.240   1.934   2.340
  333   2HB   ARG  45          2HB       ARG  45  29.990   3.529   2.454
  334   1HG   ARG  45          1HG       ARG  45  27.563   4.391   1.753
  335   2HG   ARG  45          2HG       ARG  45  27.057   2.787   2.309
  336   1HD   ARG  45          1HD       ARG  45  26.831   4.300   4.154
  337   2HD   ARG  45          2HD       ARG  45  28.257   3.295   4.503
  338    HE   ARG  45           HE       ARG  45  29.108   5.602   3.087
  339   1HH1  ARG  45          1HH1      ARG  45  27.777   4.807   6.276
  340   2HH1  ARG  45          2HH1      ARG  45  28.467   6.212   7.049
  341   1HH2  ARG  45          1HH2      ARG  45  29.961   7.449   4.077
  342   2HH2  ARG  45          2HH2      ARG  45  29.740   7.721   5.789
  343    H    LYS  46           H        LYS  46  30.502   3.462  -1.726
  344    HA   LYS  46           HA       LYS  46  32.563   1.382  -1.568
  345   1HB   LYS  46          1HB       LYS  46  31.008   1.779  -3.543
  346   2HB   LYS  46          2HB       LYS  46  31.862   3.297  -3.834
  347   1HG   LYS  46          1HG       LYS  46  33.998   1.995  -4.111
  348   2HG   LYS  46          2HG       LYS  46  33.099   0.501  -3.771
  349   1HD   LYS  46          1HD       LYS  46  31.678   0.913  -5.780
  350   2HD   LYS  46          2HD       LYS  46  32.551   2.425  -6.079
  351   1HE   LYS  46          1HE       LYS  46  33.410   0.706  -7.559
  352   2HE   LYS  46          2HE       LYS  46  34.666   1.150  -6.390
  353   1HZ   LYS  46          1HZ       LYS  46  32.915  -1.207  -6.214
  354   2HZ   LYS  46          2HZ       LYS  46  34.489  -1.213  -6.700
  355   3HZ   LYS  46          3HZ       LYS  46  34.110  -0.815  -5.148
  356    H    ILE  47           H        ILE  47  32.886   3.046   0.293
  357    HA   ILE  47           HA       ILE  47  34.413   4.265   1.450
  358    HB   ILE  47           HB       ILE  47  36.044   4.717  -1.075
  359   1HG1  ILE  47          1HG1      ILE  47  35.839   2.312  -0.895
  360   2HG1  ILE  47          2HG1      ILE  47  37.441   2.817  -0.388
  361   1HG2  ILE  47          1HG2      ILE  47  36.728   4.824   1.891
  362   2HG2  ILE  47          2HG2      ILE  47  37.903   4.934   0.565
  363   3HG2  ILE  47          3HG2      ILE  47  36.675   6.183   0.763
  364   1HD1  ILE  47          1HD1      ILE  47  36.785   2.545   1.999
  365   2HD1  ILE  47          2HD1      ILE  47  35.159   2.034   1.485
  366   3HD1  ILE  47          3HD1      ILE  47  36.573   1.058   1.065
  367    H    VAL  48           H        VAL  48  32.211   5.314   1.171
  368    HA   VAL  48           HA       VAL  48  32.615   8.134   1.066
  369    HB   VAL  48           HB       VAL  48  32.320   7.830  -1.338
  370   1HG1  VAL  48          1HG1      VAL  48  31.079   5.676  -1.356
  371   2HG1  VAL  48          2HG1      VAL  48  29.629   6.519  -0.765
  372   3HG1  VAL  48          3HG1      VAL  48  30.311   6.920  -2.348
  373   1HG2  VAL  48          1HG2      VAL  48  31.338   9.820  -0.244
  374   2HG2  VAL  48          2HG2      VAL  48  30.464   9.341  -1.710
  375   3HG2  VAL  48          3HG2      VAL  48  29.780   8.975  -0.115
  Start of MODEL   10
    1   1H    LEU   1          1H        LEU   1 -21.469  10.808   7.764
    2   2H    LEU   1          2H        LEU   1 -22.259   9.525   7.018
    3    HA   LEU   1           HA       LEU   1 -20.570   9.405   9.423
    4   1HB   LEU   1          1HB       LEU   1 -21.903   7.113   7.905
    5   2HB   LEU   1          2HB       LEU   1 -20.797   6.970   9.264
    6    HG   LEU   1           HG       LEU   1 -22.844   6.540  10.176
    7   1HD1  LEU   1          1HD1      LEU   1 -21.539   8.178  11.509
    8   2HD1  LEU   1          2HD1      LEU   1 -22.499   9.498  10.801
    9   3HD1  LEU   1          3HD1      LEU   1 -23.285   8.267  11.803
   10   1HD2  LEU   1          1HD2      LEU   1 -24.265   7.316   8.298
   11   2HD2  LEU   1          2HD2      LEU   1 -24.907   7.690   9.905
   12   3HD2  LEU   1          3HD2      LEU   1 -24.179   8.972   8.936
   13    H    GLU   2           H        GLU   2 -18.558   8.197   9.111
   14    HA   GLU   2           HA       GLU   2 -17.225   8.853   6.651
   15   1HB   GLU   2          1HB       GLU   2 -16.029   8.894   8.727
   16   2HB   GLU   2          2HB       GLU   2 -16.477   7.226   9.111
   17   1HG   GLU   2          1HG       GLU   2 -14.142   7.498   8.355
   18   2HG   GLU   2          2HG       GLU   2 -15.043   6.343   7.378
   19    HE2  GLU   2           HE2      GLU   2 -14.581   8.107   4.410
   20    H    GLU   3           H        GLU   3 -18.101   7.789   4.837
   21    HA   GLU   3           HA       GLU   3 -19.120   5.338   4.657
   22   1HB   GLU   3          1HB       GLU   3 -17.799   7.313   2.789
   23   2HB   GLU   3          2HB       GLU   3 -18.234   5.720   2.138
   24   1HG   GLU   3          1HG       GLU   3 -20.470   5.881   2.866
   25   2HG   GLU   3          2HG       GLU   3 -20.147   7.247   3.857
   26    HE2  GLU   3           HE2      GLU   3 -21.685   8.912   1.111
   27    H    MET   4           H        MET   4 -18.589   3.908   3.434
   28    HA   MET   4           HA       MET   4 -16.316   2.478   2.709
   29   1HB   MET   4          1HB       MET   4 -15.810   2.534   5.198
   30   2HB   MET   4          2HB       MET   4 -17.242   1.540   5.472
   31   1HG   MET   4          1HG       MET   4 -16.307  -0.268   4.135
   32   2HG   MET   4          2HG       MET   4 -14.983   0.763   3.578
   33   1HE   MET   4          1HE       MET   4 -14.461  -2.112   4.560
   34   2HE   MET   4          2HE       MET   4 -13.161  -0.989   4.086
   35   3HE   MET   4          3HE       MET   4 -13.052  -1.880   5.621
   36    H    MET   5           H        MET   5 -19.504   2.325   4.232
   37    HA   MET   5           HA       MET   5 -20.457  -0.085   3.095
   38   1HB   MET   5          1HB       MET   5 -22.568   0.574   3.849
   39   2HB   MET   5          2HB       MET   5 -21.373   1.017   5.079
   40   1HG   MET   5          1HG       MET   5 -21.308   3.299   4.012
   41   2HG   MET   5          2HG       MET   5 -22.677   2.776   3.017
   42   1HE   MET   5          1HE       MET   5 -23.894   5.025   3.802
   43   2HE   MET   5          2HE       MET   5 -24.192   5.443   5.505
   44   3HE   MET   5          3HE       MET   5 -22.531   5.440   4.870
   45    H    THR   6           H        THR   6 -20.306   3.260   2.003
   46    HA   THR   6           HA       THR   6 -21.845   2.836  -0.418
   47    HB   THR   6           HB       THR   6 -19.902   5.053   0.328
   48    HG1  THR   6           HG1      THR   6 -22.726   4.815   0.544
   49   1HG2  THR   6          1HG2      THR   6 -21.202   6.391  -1.321
   50   2HG2  THR   6          2HG2      THR   6 -20.335   5.058  -2.099
   51   3HG2  THR   6          3HG2      THR   6 -22.084   4.927  -1.806
   52    H    ALA   7           H        ALA   7 -18.413   2.737   0.437
   53    HA   ALA   7           HA       ALA   7 -17.379   2.362  -2.210
   54   1HB   ALA   7          1HB       ALA   7 -16.002   3.037  -0.247
   55   2HB   ALA   7          2HB       ALA   7 -16.189   1.403   0.426
   56   3HB   ALA   7          3HB       ALA   7 -15.342   1.637  -1.107
   57    H    CYS   8           H        CYS   8 -18.607   0.183   0.288
   58    HA   CYS   8           HA       CYS   8 -18.242  -2.242  -1.316
   59   1HB   CYS   8          1HB       CYS   8 -19.638  -1.723   1.351
   60   2HB   CYS   8          2HB       CYS   8 -19.450  -3.321   0.604
   61    HG   CYS   8           HG       CYS   8 -17.073  -1.204   1.433
   62    H    GLN   9           H        GLN   9 -19.447  -0.730  -2.967
   63    HA   GLN   9           HA       GLN   9 -22.206  -0.266  -2.718
   64   1HB   GLN   9          1HB       GLN   9 -20.536   0.838  -4.303
   65   2HB   GLN   9          2HB       GLN   9 -20.636  -0.599  -5.310
   66   1HG   GLN   9          1HG       GLN   9 -22.088   1.198  -6.144
   67   2HG   GLN   9          2HG       GLN   9 -23.025  -0.230  -5.694
   68   1HE2  GLN   9          2HE2      GLN   9 -21.690   2.352  -3.501
   69   2HE2  GLN   9          1HE2      GLN   9 -23.264   2.901  -2.972
   70    H    GLY  10           H        GLY  10 -20.469  -2.906  -4.295
   71   1HA   GLY  10          1HA       GLY  10 -22.983  -4.511  -4.613
   72   2HA   GLY  10          2HA       GLY  10 -21.491  -4.717  -5.548
   73    H    VAL  11           H        VAL  11 -22.115  -4.184  -2.065
   74    HA   VAL  11           HA       VAL  11 -21.225  -4.949  -0.240
   75    HB   VAL  11           HB       VAL  11 -23.091  -6.227  -0.680
   76   1HG1  VAL  11          1HG2      VAL  11 -21.144  -8.371  -1.567
   77   2HG1  VAL  11          2HG2      VAL  11 -22.837  -8.676  -1.092
   78   3HG1  VAL  11          3HG2      VAL  11 -22.487  -7.637  -2.489
   79   1HG2  VAL  11          1HG1      VAL  11 -21.934  -6.280   1.517
   80   2HG2  VAL  11          2HG1      VAL  11 -22.735  -7.822   1.176
   81   3HG2  VAL  11          3HG1      VAL  11 -20.977  -7.682   0.991
   82    H    GLY  12           H        GLY  12 -19.495  -4.210  -1.942
   83   1HA   GLY  12          1HA       GLY  12 -17.012  -4.354  -1.337
   84   2HA   GLY  12          2HA       GLY  12 -17.116  -6.042  -1.871
   85    H    GLY  13           H        GLY  13 -18.477  -2.951  -3.110
   86   1HA   GLY  13          1HA       GLY  13 -18.229  -3.623  -5.863
   87   2HA   GLY  13          2HA       GLY  13 -18.632  -2.057  -5.126
   88    HA   PRO  14           HA       PRO  14 -14.465  -1.962  -7.514
   89   1HB   PRO  14          1HB       PRO  14 -15.040   0.600  -8.577
   90   2HB   PRO  14          2HB       PRO  14 -15.382  -0.963  -9.324
   91   1HG   PRO  14          1HG       PRO  14 -17.310   0.730  -7.780
   92   2HG   PRO  14          2HG       PRO  14 -17.558  -0.090  -9.347
   93   1HD   PRO  14          1HD       PRO  14 -18.452  -1.200  -7.099
   94   2HD   PRO  14          2HD       PRO  14 -17.643  -2.239  -8.302
   95    H    GLY  15           H        GLY  15 -16.197   0.695  -6.092
   96   1HA   GLY  15          1HA       GLY  15 -14.216   2.386  -5.106
   97   2HA   GLY  15          2HA       GLY  15 -15.740   2.098  -4.249
   98    H    HIS  16           H        HIS  16 -15.465  -0.571  -3.446
   99    HA   HIS  16           HA       HIS  16 -13.452  -0.306  -1.330
  100   1HB   HIS  16          1HB       HIS  16 -15.699  -1.186  -0.811
  101   2HB   HIS  16          2HB       HIS  16 -15.463  -2.519  -1.948
  102    HD1  HIS  16           HD1      HIS  16 -15.173  -4.614  -0.564
  103    HD2  HIS  16           HD2      HIS  16 -13.237  -1.267   1.124
  104    HE1  HIS  16           HE1      HIS  16 -13.997  -5.405   1.559
  105    HE2  HIS  16           HE2      HIS  16 -12.804  -3.388   2.608
  106    H    LYS  17           H        LYS  17 -13.726  -2.064  -4.378
  107    HA   LYS  17           HA       LYS  17 -11.517  -3.882  -3.918
  108   1HB   LYS  17          1HB       LYS  17 -12.858  -2.737  -6.354
  109   2HB   LYS  17          2HB       LYS  17 -11.507  -3.807  -6.483
  110   1HG   LYS  17          1HG       LYS  17 -14.127  -4.488  -5.079
  111   2HG   LYS  17          2HG       LYS  17 -13.681  -4.957  -6.712
  112   1HD   LYS  17          1HD       LYS  17 -12.690  -6.791  -5.958
  113   2HD   LYS  17          2HD       LYS  17 -11.512  -5.838  -5.069
  114   1HE   LYS  17          1HE       LYS  17 -14.244  -6.770  -4.049
  115   2HE   LYS  17          2HE       LYS  17 -12.673  -7.468  -3.619
  116   1HZ   LYS  17          1HZ       LYS  17 -13.528  -4.735  -3.009
  117   2HZ   LYS  17          2HZ       LYS  17 -13.483  -6.002  -1.951
  118   3HZ   LYS  17          3HZ       LYS  17 -12.085  -5.418  -2.596
  119    H    ALA  18           H        ALA  18 -11.810  -0.512  -4.858
  120    HA   ALA  18           HA       ALA  18  -9.005  -0.091  -5.418
  121   1HB   ALA  18          1HB       ALA  18 -10.789   1.283  -6.427
  122   2HB   ALA  18          2HB       ALA  18 -11.254   1.878  -4.823
  123   3HB   ALA  18          3HB       ALA  18  -9.657   2.272  -5.480
  124    H    ARG  19           H        ARG  19 -11.180   0.201  -2.524
  125    HA   ARG  19           HA       ARG  19  -9.206   1.564  -0.933
  126   1HB   ARG  19          1HB       ARG  19 -11.661   1.611  -0.598
  127   2HB   ARG  19          2HB       ARG  19 -11.603  -0.084  -0.077
  128   1HG   ARG  19          1HG       ARG  19 -10.337   0.458   1.884
  129   2HG   ARG  19          2HG       ARG  19 -10.005   2.107   1.302
  130   1HD   ARG  19          1HD       ARG  19 -12.348   2.696   1.408
  131   2HD   ARG  19          2HD       ARG  19 -12.806   1.044   1.872
  132    HE   ARG  19           HE       ARG  19 -11.039   1.735   3.832
  133   1HH1  ARG  19          1HH2      ARG  19 -13.947   3.326   2.550
  134   2HH1  ARG  19          2HH2      ARG  19 -14.404   4.010   4.087
  135   1HH2  ARG  19          1HH1      ARG  19 -11.667   2.635   5.853
  136   2HH2  ARG  19          2HH1      ARG  19 -13.105   3.616   5.966
  137    H    VAL  20           H        VAL  20 -10.028  -1.809  -1.536
  138    HA   VAL  20           HA       VAL  20  -8.347  -2.983   0.502
  139    HB   VAL  20           HB       VAL  20  -9.734  -4.050  -1.970
  140   1HG1  VAL  20          1HG2      VAL  20  -8.093  -5.604   0.075
  141   2HG1  VAL  20          2HG2      VAL  20  -9.209  -6.338  -1.096
  142   3HG1  VAL  20          3HG2      VAL  20  -7.777  -5.480  -1.671
  143   1HG2  VAL  20          1HG1      VAL  20 -11.118  -3.410   0.074
  144   2HG2  VAL  20          2HG1      VAL  20 -11.247  -5.110  -0.401
  145   3HG2  VAL  20          3HG1      VAL  20 -10.236  -4.640   0.980
  146    H    LEU  21           H        LEU  21  -8.003  -2.245  -2.982
  147    HA   LEU  21           HA       LEU  21  -5.381  -3.315  -3.241
  148   1HB   LEU  21          1HB       LEU  21  -6.803  -2.653  -5.175
  149   2HB   LEU  21          2HB       LEU  21  -6.708  -0.967  -4.653
  150    HG   LEU  21           HG       LEU  21  -4.123  -1.173  -4.871
  151   1HD1  LEU  21          1HD1      LEU  21  -5.028  -3.717  -6.327
  152   2HD1  LEU  21          2HD1      LEU  21  -3.445  -2.959  -6.535
  153   3HD1  LEU  21          3HD1      LEU  21  -3.896  -3.626  -4.958
  154   1HD2  LEU  21          1HD2      LEU  21  -5.902  -1.447  -7.289
  155   2HD2  LEU  21          2HD2      LEU  21  -5.534   0.049  -6.384
  156   3HD2  LEU  21          3HD2      LEU  21  -4.234  -0.797  -7.257
  157    H    ALA  22           H        ALA  22  -6.507   0.059  -2.574
  158    HA   ALA  22           HA       ALA  22  -4.062   1.295  -2.213
  159   1HB   ALA  22          1HB       ALA  22  -6.204   2.479  -2.262
  160   2HB   ALA  22          2HB       ALA  22  -6.635   1.809  -0.672
  161   3HB   ALA  22          3HB       ALA  22  -5.265   2.927  -0.826
  162    H    GLU  23           H        GLU  23  -5.826  -0.741   0.138
  163    HA   GLU  23           HA       GLU  23  -4.171  -0.215   2.400
  164   1HB   GLU  23          1HB       GLU  23  -6.498  -1.356   2.233
  165   2HB   GLU  23          2HB       GLU  23  -5.631  -2.808   1.794
  166   1HG   GLU  23          1HG       GLU  23  -6.065  -2.875   4.169
  167   2HG   GLU  23          2HG       GLU  23  -4.326  -2.715   3.906
  168    HE2  GLU  23           HE2      GLU  23  -6.432   0.449   5.404
  169    H    ALA  24           H        ALA  24  -4.174  -2.648  -0.163
  170    HA   ALA  24           HA       ALA  24  -1.906  -4.129   0.875
  171   1HB   ALA  24          1HB       ALA  24  -3.630  -5.184  -0.587
  172   2HB   ALA  24          2HB       ALA  24  -3.123  -4.142  -1.935
  173   3HB   ALA  24          3HB       ALA  24  -2.000  -5.344  -1.275
  174    H    MET  25           H        MET  25  -2.288  -1.462  -1.434
  175    HA   MET  25           HA       MET  25   0.514  -1.471  -2.198
  176   1HB   MET  25          1HB       MET  25  -1.844   0.444  -2.642
  177   2HB   MET  25          2HB       MET  25  -0.239   0.680  -3.346
  178   1HG   MET  25          1HG       MET  25  -1.969  -1.778  -3.917
  179   2HG   MET  25          2HG       MET  25  -1.885  -0.327  -4.857
  180   1HE   MET  25          1HE       MET  25  -1.314  -1.939  -6.945
  181   2HE   MET  25          2HE       MET  25   0.117  -2.992  -7.019
  182   3HE   MET  25          3HE       MET  25  -1.212  -3.392  -5.910
  183    H    SER  26           H        SER  26  -0.913  -0.802   0.639
  184    HA   SER  26           HA       SER  26   0.979   1.410   1.319
  185   1HB   SER  26          1HB       SER  26  -1.415   1.788   1.915
  186   2HB   SER  26          2HB       SER  26  -1.364   0.347   2.952
  187    HG   SER  26           HG       SER  26  -0.926   2.257   4.101
  188    H    GLN  27           H        GLN  27  -0.087  -1.904   1.933
  189    HA   GLN  27           HA       GLN  27   1.713  -2.445   4.117
  190   1HB   GLN  27          1HB       GLN  27  -0.660  -3.420   3.581
  191   2HB   GLN  27          2HB       GLN  27   0.140  -4.399   2.363
  192   1HG   GLN  27          1HG       GLN  27   1.603  -5.403   4.102
  193   2HG   GLN  27          2HG       GLN  27   0.814  -4.399   5.334
  194   1HE2  GLN  27          2HE2      GLN  27   0.662  -6.865   6.064
  195   2HE2  GLN  27          1HE2      GLN  27  -0.861  -7.632   5.666
  196    H    VAL  28           H        VAL  28   1.575  -3.348   0.650
  197    HA   VAL  28           HA       VAL  28   3.738  -5.262   0.749
  198    HB   VAL  28           HB       VAL  28   2.373  -3.753  -1.507
  199   1HG1  VAL  28          1HG2      VAL  28   4.408  -6.020  -1.663
  200   2HG1  VAL  28          2HG2      VAL  28   3.406  -5.456  -3.018
  201   3HG1  VAL  28          3HG2      VAL  28   4.605  -4.373  -2.303
  202   1HG2  VAL  28          1HG1      VAL  28   1.012  -5.476  -0.192
  203   2HG2  VAL  28          2HG1      VAL  28   1.200  -5.822  -1.918
  204   3HG2  VAL  28          3HG1      VAL  28   2.184  -6.689  -0.714
  205    H    THR  29           H        THR  29   3.339  -1.884  -0.439
  206    HA   THR  29           HA       THR  29   5.827  -1.155  -1.047
  207    HB   THR  29           HB       THR  29   3.464   0.345   0.214
  208    HG1  THR  29           HG1      THR  29   2.600   0.240  -1.900
  209   1HG2  THR  29          1HG2      THR  29   5.294   0.961  -2.089
  210   2HG2  THR  29          2HG2      THR  29   3.940   1.975  -1.473
  211   3HG2  THR  29          3HG2      THR  29   5.392   1.689  -0.434
  212    H    ASN  30           H        ASN  30   4.268  -1.306   2.163
  213    HA   ASN  30           HA       ASN  30   6.381   0.060   3.580
  214   1HB   ASN  30          1HB       ASN  30   3.986  -0.469   4.416
  215   2HB   ASN  30          2HB       ASN  30   4.623  -2.031   4.864
  216   1HD2  ASN  30          2HD2      ASN  30   6.673  -2.007   6.269
  217   2HD2  ASN  30          1HD2      ASN  30   6.765  -0.745   7.478
  218    H    SER  31           H        SER  31   5.563  -3.307   2.899
  219    HA   SER  31           HA       SER  31   7.661  -4.549   4.408
  220   1HB   SER  31          1HB       SER  31   5.621  -5.732   3.541
  221   2HB   SER  31          2HB       SER  31   6.317  -5.668   1.909
  222    HG   SER  31           HG       SER  31   8.158  -6.769   2.805
  223    H    ALA  32           H        ALA  32   7.496  -3.118   1.199
  224    HA   ALA  32           HA       ALA  32  10.243  -3.894   0.474
  225   1HB   ALA  32          1HB       ALA  32   8.574  -3.733  -1.241
  226   2HB   ALA  32          2HB       ALA  32   8.352  -1.995  -0.890
  227   3HB   ALA  32          3HB       ALA  32   9.917  -2.601  -1.501
  228    H    THR  33           H        THR  33   8.640  -1.130   2.075
  229    HA   THR  33           HA       THR  33  10.924   0.609   1.849
  230    HB   THR  33           HB       THR  33   8.315   0.844   2.845
  231    HG1  THR  33           HG1      THR  33  10.484   2.631   3.099
  232   1HG2  THR  33          1HG2      THR  33  10.181   1.461   5.174
  233   2HG2  THR  33          2HG2      THR  33   8.443   1.782   5.067
  234   3HG2  THR  33          3HG2      THR  33   9.022   0.124   5.161
  235    H    ILE  34           H        ILE  34  10.018  -2.073   3.940
  236    HA   ILE  34           HA       ILE  34  12.081  -1.644   5.916
  237    HB   ILE  34           HB       ILE  34  10.578  -4.121   5.037
  238   1HG1  ILE  34          1HG1      ILE  34   9.283  -2.447   6.304
  239   2HG1  ILE  34          2HG1      ILE  34   9.461  -3.996   7.135
  240   1HG2  ILE  34          1HG2      ILE  34  12.727  -3.853   7.131
  241   2HG2  ILE  34          2HG2      ILE  34  11.552  -5.184   7.140
  242   3HG2  ILE  34          3HG2      ILE  34  12.668  -5.005   5.782
  243   1HD1  ILE  34          1HD1      ILE  34  11.193  -3.016   8.621
  244   2HD1  ILE  34          2HD1      ILE  34  10.999  -1.445   7.809
  245   3HD1  ILE  34          3HD1      ILE  34   9.655  -2.153   8.709
  246    H    MET  35           H        MET  35  12.023  -2.995   2.644
  247    HA   MET  35           HA       MET  35  14.660  -4.197   2.690
  248   1HB   MET  35          1HB       MET  35  13.087  -3.326   0.282
  249   2HB   MET  35          2HB       MET  35  14.450  -4.418   0.365
  250   1HG   MET  35          1HG       MET  35  11.759  -4.852   1.698
  251   2HG   MET  35          2HG       MET  35  12.315  -5.534   0.207
  252   1HE   MET  35          1HE       MET  35  14.311  -7.233   0.011
  253   2HE   MET  35          2HE       MET  35  15.459  -6.395   1.086
  254   3HE   MET  35          3HE       MET  35  15.046  -8.096   1.381
  255    H    MET  36           H        MET  36  13.257  -1.059   1.532
  256    HA   MET  36           HA       MET  36  15.713  -0.120   0.416
  257   1HB   MET  36          1HB       MET  36  14.502   1.713  -0.253
  258   2HB   MET  36          2HB       MET  36  13.225   0.521  -0.027
  259   1HG   MET  36          1HG       MET  36  12.296   2.322   0.925
  260   2HG   MET  36          2HG       MET  36  13.006   1.594   2.344
  261   1HE   MET  36          1HE       MET  36  12.844   3.608   3.869
  262   2HE   MET  36          2HE       MET  36  13.299   5.259   3.387
  263   3HE   MET  36          3HE       MET  36  11.951   4.436   2.569
  264    H    GLN  37           H        GLN  37  14.219   0.080   3.584
  265    HA   GLN  37           HA       GLN  37  16.035   1.867   4.863
  266   1HB   GLN  37          1HB       GLN  37  13.684   1.460   5.510
  267   2HB   GLN  37          2HB       GLN  37  14.015  -0.270   5.733
  268   1HG   GLN  37          1HG       GLN  37  15.471   0.154   7.538
  269   2HG   GLN  37          2HG       GLN  37  15.272   1.926   7.316
  270   1HE2  GLN  37          2HE2      GLN  37  12.828   2.634   7.354
  271   2HE2  GLN  37          1HE2      GLN  37  11.839   1.901   8.600
  272    H    ARG  38           H        ARG  38  15.778  -1.694   4.467
  273    HA   ARG  38           HA       ARG  38  17.890  -2.474   6.151
  274   1HB   ARG  38          1HB       ARG  38  16.076  -3.684   4.348
  275   2HB   ARG  38          2HB       ARG  38  17.580  -4.067   3.683
  276   1HG   ARG  38          1HG       ARG  38  17.240  -5.848   5.126
  277   2HG   ARG  38          2HG       ARG  38  18.099  -4.800   6.259
  278   1HD   ARG  38          1HD       ARG  38  15.053  -5.074   5.946
  279   2HD   ARG  38          2HD       ARG  38  16.031  -5.819   7.214
  280    HE   ARG  38           HE       ARG  38  16.231  -2.899   7.036
  281   1HH1  ARG  38          1HH1      ARG  38  14.353  -5.565   8.447
  282   2HH1  ARG  38          2HH1      ARG  38  13.780  -4.603   9.784
  283   1HH2  ARG  38          1HH2      ARG  38  15.495  -1.674   8.803
  284   2HH2  ARG  38          2HH2      ARG  38  14.406  -2.373   9.967
  285    H    GLY  39           H        GLY  39  19.850  -1.784   6.076
  286   1HA   GLY  39          1HA       GLY  39  22.002  -1.413   5.272
  287   2HA   GLY  39          2HA       GLY  39  21.456  -1.685   3.616
  288    H    ASN  40           H        ASN  40  19.166   0.378   4.105
  289    HA   ASN  40           HA       ASN  40  18.732   2.501   3.790
  290   1HB   ASN  40          1HB       ASN  40  19.936   2.620   6.005
  291   2HB   ASN  40          2HB       ASN  40  21.366   3.201   5.140
  292   1HD2  ASN  40          2HD2      ASN  40  21.355   5.339   4.274
  293   2HD2  ASN  40          1HD2      ASN  40  20.101   6.492   4.683
  294    H    PHE  41           H        PHE  41  21.639   1.312   2.313
  295    HA   PHE  41           HA       PHE  41  21.512   3.360   0.198
  296   1HB   PHE  41          1HB       PHE  41  23.926   2.216   1.692
  297   2HB   PHE  41          2HB       PHE  41  23.972   3.293   0.319
  298    HD1  PHE  41           HD1      PHE  41  24.324   3.180   3.793
  299    HD2  PHE  41           HD2      PHE  41  22.399   5.548   0.748
  300    HE1  PHE  41           HE1      PHE  41  24.439   5.170   5.262
  301    HE2  PHE  41           HE2      PHE  41  22.542   7.542   2.212
  302    HZ   PHE  41           HZ       PHE  41  23.591   7.365   4.458
  303    H    ARG  42           H        ARG  42  22.676   0.211   1.366
  304    HA   ARG  42           HA       ARG  42  23.668  -0.993  -0.898
  305   1HB   ARG  42          1HB       ARG  42  23.811  -1.786   1.394
  306   2HB   ARG  42          2HB       ARG  42  22.111  -2.173   1.426
  307   1HG   ARG  42          1HG       ARG  42  24.041  -3.512  -0.521
  308   2HG   ARG  42          2HG       ARG  42  23.765  -4.076   1.133
  309   1HD   ARG  42          1HD       ARG  42  21.262  -4.156   0.567
  310   2HD   ARG  42          2HD       ARG  42  21.763  -4.037  -1.140
  311    HE   ARG  42           HE       ARG  42  23.275  -6.087   0.017
  312   1HH1  ARG  42          1HH1      ARG  42  19.866  -5.387  -0.708
  313   2HH1  ARG  42          2HH1      ARG  42  19.433  -7.062  -0.915
  314   1HH2  ARG  42          1HH2      ARG  42  22.689  -8.289  -0.259
  315   2HH2  ARG  42          2HH2      ARG  42  21.047  -8.720  -0.660
  316    H    ASN  43           H        ASN  43  20.403  -1.426   0.395
  317    HA   ASN  43           HA       ASN  43  19.469  -3.008  -1.805
  318   1HB   ASN  43          1HB       ASN  43  18.652  -3.117   0.556
  319   2HB   ASN  43          2HB       ASN  43  17.885  -1.540   0.329
  320   1HD2  ASN  43          2HD2      ASN  43  16.064  -1.426  -1.252
  321   2HD2  ASN  43          1HD2      ASN  43  15.186  -2.881  -1.667
  322    H    GLN  44           H        GLN  44  19.117   0.386  -0.876
  323    HA   GLN  44           HA       GLN  44  17.424   1.279  -2.772
  324   1HB   GLN  44          1HB       GLN  44  19.808   2.873  -1.751
  325   2HB   GLN  44          2HB       GLN  44  18.259   3.462  -2.371
  326   1HG   GLN  44          1HG       GLN  44  17.233   2.048  -0.439
  327   2HG   GLN  44          2HG       GLN  44  18.854   2.060   0.254
  328   1HE2  GLN  44          2HE2      GLN  44  16.956   3.152   1.793
  329   2HE2  GLN  44          1HE2      GLN  44  17.062   4.903   1.803
  330    H    ARG  45           H        ARG  45  20.856   0.716  -2.881
  331    HA   ARG  45           HA       ARG  45  22.454   0.522  -4.463
  332   1HB   ARG  45          1HB       ARG  45  20.244   0.737  -6.561
  333   2HB   ARG  45          2HB       ARG  45  21.943   0.376  -6.858
  334   1HG   ARG  45          1HG       ARG  45  21.818  -1.689  -5.574
  335   2HG   ARG  45          2HG       ARG  45  20.160  -1.326  -5.072
  336   1HD   ARG  45          1HD       ARG  45  20.138  -2.947  -6.884
  337   2HD   ARG  45          2HD       ARG  45  19.381  -1.423  -7.390
  338    HE   ARG  45           HE       ARG  45  22.163  -1.414  -8.072
  339   1HH1  ARG  45          1HH2      ARG  45  19.108  -2.917  -9.070
  340   2HH1  ARG  45          2HH2      ARG  45  19.609  -3.136 -10.727
  341   1HH2  ARG  45          1HH1      ARG  45  22.808  -1.698 -10.249
  342   2HH2  ARG  45          2HH1      ARG  45  21.727  -2.441 -11.400
  343    H    LYS  46           H        LYS  46  22.330   2.815  -3.092
  344    HA   LYS  46           HA       LYS  46  22.490   5.148  -4.882
  345   1HB   LYS  46          1HB       LYS  46  20.743   4.811  -3.104
  346   2HB   LYS  46          2HB       LYS  46  22.018   4.826  -1.919
  347   1HG   LYS  46          1HG       LYS  46  22.624   7.192  -2.803
  348   2HG   LYS  46          2HG       LYS  46  21.261   7.025  -3.920
  349   1HD   LYS  46          1HD       LYS  46  19.696   6.838  -2.034
  350   2HD   LYS  46          2HD       LYS  46  21.040   6.788  -0.885
  351   1HE   LYS  46          1HE       LYS  46  20.048   9.003  -0.873
  352   2HE   LYS  46          2HE       LYS  46  21.703   9.085  -1.500
  353   1HZ   LYS  46          1HZ       LYS  46  19.252   9.060  -3.125
  354   2HZ   LYS  46          2HZ       LYS  46  20.171  10.386  -2.787
  355   3HZ   LYS  46          3HZ       LYS  46  20.792   9.169  -3.707
  356    H    ILE  47           H        ILE  47  23.695   5.698  -2.403
  357    HA   ILE  47           HA       ILE  47  26.411   4.680  -2.231
  358    HB   ILE  47           HB       ILE  47  27.548   6.883  -2.484
  359   1HG1  ILE  47          1HG1      ILE  47  24.950   7.846  -3.772
  360   2HG1  ILE  47          2HG1      ILE  47  25.550   8.348  -2.184
  361   1HG2  ILE  47          1HG2      ILE  47  27.467   5.144  -4.319
  362   2HG2  ILE  47          2HG2      ILE  47  26.204   6.127  -5.098
  363   3HG2  ILE  47          3HG2      ILE  47  27.827   6.789  -4.842
  364   1HD1  ILE  47          1HD1      ILE  47  27.614   9.243  -3.264
  365   2HD1  ILE  47          2HD1      ILE  47  26.896   8.884  -4.854
  366   3HD1  ILE  47          3HD1      ILE  47  26.116  10.047  -3.773
  367    H    VAL  48           H        VAL  48  27.527   5.517  -0.311
  368    HA   VAL  48           HA       VAL  48  25.734   5.945   1.890
  369    HB   VAL  48           HB       VAL  48  27.753   6.123   3.245
  370   1HG1  VAL  48          1HG2      VAL  48  26.838   3.907   2.632
  371   2HG1  VAL  48          2HG2      VAL  48  27.923   3.845   1.226
  372   3HG1  VAL  48          3HG2      VAL  48  28.594   3.866   2.868
  373   1HG2  VAL  48          1HG1      VAL  48  29.255   7.341   1.708
  374   2HG2  VAL  48          2HG1      VAL  48  29.992   5.838   2.274
  375   3HG2  VAL  48          3HG1      VAL  48  29.327   5.927   0.634
  Start of MODEL   11
    1   1H    LEU   1          1H        LEU   1 -29.783   6.026  10.293
    2   2H    LEU   1          2H        LEU   1 -29.763   4.454   9.697
    3    HA   LEU   1           HA       LEU   1 -30.490   6.770   8.408
    4   1HB   LEU   1          1HB       LEU   1 -29.090   6.929   6.526
    5   2HB   LEU   1          2HB       LEU   1 -28.100   7.148   7.955
    6    HG   LEU   1           HG       LEU   1 -28.251   4.439   6.569
    7   1HD1  LEU   1          1HD2      LEU   1 -26.438   6.762   5.831
    8   2HD1  LEU   1          2HD2      LEU   1 -26.305   5.098   5.220
    9   3HD1  LEU   1          3HD2      LEU   1 -27.730   6.070   4.825
   10   1HD2  LEU   1          1HD1      LEU   1 -26.065   5.834   8.191
   11   2HD2  LEU   1          2HD1      LEU   1 -27.064   4.485   8.764
   12   3HD2  LEU   1          3HD1      LEU   1 -25.931   4.233   7.439
   13    H    GLU   2           H        GLU   2 -30.986   6.173   5.989
   14    HA   GLU   2           HA       GLU   2 -32.850   4.020   5.986
   15   1HB   GLU   2          1HB       GLU   2 -33.246   4.713   3.712
   16   2HB   GLU   2          2HB       GLU   2 -33.054   6.138   4.727
   17   1HG   GLU   2          1HG       GLU   2 -30.710   6.409   3.912
   18   2HG   GLU   2          2HG       GLU   2 -30.890   4.956   2.917
   19    HE2  GLU   2           HE2      GLU   2 -32.795   8.372   1.831
   20    H    GLU   3           H        GLU   3 -32.838   2.633   3.845
   21    HA   GLU   3           HA       GLU   3 -31.249   0.469   4.059
   22   1HB   GLU   3          1HB       GLU   3 -33.077   1.812   2.008
   23   2HB   GLU   3          2HB       GLU   3 -32.307   0.340   1.529
   24   1HG   GLU   3          1HG       GLU   3 -34.189  -0.374   2.354
   25   2HG   GLU   3          2HG       GLU   3 -33.102  -0.769   3.669
   26    HE2  GLU   3           HE2      GLU   3 -35.628   0.572   5.699
   27    H    MET   4           H        MET   4 -30.557  -0.341   1.918
   28    HA   MET   4           HA       MET   4 -28.905  -0.964   0.679
   29   1HB   MET   4          1HB       MET   4 -28.193   1.910   0.372
   30   2HB   MET   4          2HB       MET   4 -27.872   0.461  -0.635
   31   1HG   MET   4          1HG       MET   4 -30.534   1.827  -0.226
   32   2HG   MET   4          2HG       MET   4 -29.584   1.650  -1.701
   33   1HE   MET   4          1HE       MET   4 -31.880   1.034  -2.895
   34   2HE   MET   4          2HE       MET   4 -32.891  -0.346  -2.407
   35   3HE   MET   4          3HE       MET   4 -32.746   1.069  -1.339
   36    H    MET   5           H        MET   5 -28.248   0.808   3.568
   37    HA   MET   5           HA       MET   5 -25.448   0.347   3.784
   38   1HB   MET   5          1HB       MET   5 -25.650   1.056   5.987
   39   2HB   MET   5          2HB       MET   5 -26.734   2.066   5.018
   40   1HG   MET   5          1HG       MET   5 -28.576   0.519   5.613
   41   2HG   MET   5          2HG       MET   5 -27.464  -0.349   6.684
   42   1HE   MET   5          1HE       MET   5 -29.363  -0.162   8.517
   43   2HE   MET   5          2HE       MET   5 -29.973   1.382   9.154
   44   3HE   MET   5          3HE       MET   5 -30.375   0.887   7.493
   45    H    THR   6           H        THR   6 -28.347  -1.554   4.352
   46    HA   THR   6           HA       THR   6 -27.232  -3.614   5.970
   47    HB   THR   6           HB       THR   6 -29.583  -3.718   4.026
   48    HG1  THR   6           HG1      THR   6 -29.465  -2.907   6.739
   49   1HG2  THR   6          1HG2      THR   6 -30.481  -5.380   5.637
   50   2HG2  THR   6          2HG2      THR   6 -28.966  -5.942   4.910
   51   3HG2  THR   6          3HG2      THR   6 -28.971  -5.298   6.568
   52    H    ALA   7           H        ALA   7 -27.495  -3.069   2.499
   53    HA   ALA   7           HA       ALA   7 -26.337  -5.631   1.708
   54   1HB   ALA   7          1HB       ALA   7 -27.903  -4.460   0.230
   55   2HB   ALA   7          2HB       ALA   7 -26.802  -3.071   0.123
   56   3HB   ALA   7          3HB       ALA   7 -26.316  -4.644  -0.544
   57    H    CYS   8           H        CYS   8 -25.267  -2.245   1.717
   58    HA   CYS   8           HA       CYS   8 -22.455  -2.962   1.235
   59   1HB   CYS   8          1HB       CYS   8 -23.808  -0.256   1.659
   60   2HB   CYS   8          2HB       CYS   8 -22.121  -0.511   1.171
   61    HG   CYS   8           HG       CYS   8 -24.889  -1.424  -0.359
   62    H    GLN   9           H        GLN   9 -22.906  -4.261   3.351
   63    HA   GLN   9           HA       GLN   9 -22.766  -2.754   5.842
   64   1HB   GLN   9          1HB       GLN   9 -24.061  -4.850   5.421
   65   2HB   GLN   9          2HB       GLN   9 -22.546  -5.757   5.380
   66   1HG   GLN   9          1HG       GLN   9 -22.068  -4.967   7.716
   67   2HG   GLN   9          2HG       GLN   9 -23.598  -4.074   7.711
   68   1HE2  GLN   9          2HE2      GLN   9 -25.491  -5.714   6.727
   69   2HE2  GLN   9          1HE2      GLN   9 -25.590  -7.193   7.658
   70    H    GLY  10           H        GLY  10 -20.772  -1.626   5.080
   71   1HA   GLY  10          1HA       GLY  10 -18.530  -1.205   5.290
   72   2HA   GLY  10          2HA       GLY  10 -18.380  -2.645   6.314
   73    H    VAL  11           H        VAL  11 -19.521  -2.312   2.927
   74    HA   VAL  11           HA       VAL  11 -18.007  -4.585   2.050
   75    HB   VAL  11           HB       VAL  11 -20.243  -4.061   1.287
   76   1HG1  VAL  11          1HG2      VAL  11 -19.870  -1.615   1.005
   77   2HG1  VAL  11          2HG2      VAL  11 -18.841  -1.974  -0.408
   78   3HG1  VAL  11          3HG2      VAL  11 -20.567  -2.416  -0.429
   79   1HG2  VAL  11          1HG1      VAL  11 -18.780  -5.638   0.062
   80   2HG2  VAL  11          2HG1      VAL  11 -19.860  -4.752  -1.027
   81   3HG2  VAL  11          3HG1      VAL  11 -18.150  -4.298  -0.921
   82    H    GLY  12           H        GLY  12 -17.598  -1.091   1.851
   83   1HA   GLY  12          1HA       GLY  12 -15.636   0.104   1.450
   84   2HA   GLY  12          2HA       GLY  12 -14.810  -1.369   0.926
   85    H    GLY  13           H        GLY  13 -16.969   1.235   0.006
   86   1HA   GLY  13          1HA       GLY  13 -17.721   0.440  -2.587
   87   2HA   GLY  13          2HA       GLY  13 -17.590   2.114  -2.009
   88    HA   PRO  14           HA       PRO  14 -14.351   0.701  -5.372
   89   1HB   PRO  14          1HB       PRO  14 -15.123   2.655  -7.263
   90   2HB   PRO  14          2HB       PRO  14 -15.704   0.990  -7.166
   91   1HG   PRO  14          1HG       PRO  14 -17.091   3.428  -6.113
   92   2HG   PRO  14          2HG       PRO  14 -17.777   2.071  -7.045
   93   1HD   PRO  14          1HD       PRO  14 -18.024   2.171  -4.366
   94   2HD   PRO  14          2HD       PRO  14 -17.680   0.612  -5.169
   95    H    GLY  15           H        GLY  15 -15.565   3.934  -4.930
   96   1HA   GLY  15          1HA       GLY  15 -13.349   5.559  -5.276
   97   2HA   GLY  15          2HA       GLY  15 -14.618   5.914  -4.093
   98    H    HIS  16           H        HIS  16 -14.120   3.700  -2.287
   99    HA   HIS  16           HA       HIS  16 -11.608   4.656  -1.009
  100   1HB   HIS  16          1HB       HIS  16 -13.751   4.249   0.366
  101   2HB   HIS  16          2HB       HIS  16 -13.592   2.528  -0.051
  102    HD1  HIS  16           HD1      HIS  16 -11.907   5.261   2.000
  103    HD2  HIS  16           HD2      HIS  16 -11.661   1.101   1.307
  104    HE1  HIS  16           HE1      HIS  16 -10.294   4.291   3.735
  105    HE2  HIS  16           HE2      HIS  16 -10.143   1.757   3.352
  106    H    LYS  17           H        LYS  17 -12.839   1.794  -2.702
  107    HA   LYS  17           HA       LYS  17 -10.681   0.076  -1.941
  108   1HB   LYS  17          1HB       LYS  17 -12.615   0.205  -4.241
  109   2HB   LYS  17          2HB       LYS  17 -11.366  -1.001  -4.210
  110   1HG   LYS  17          1HG       LYS  17 -13.196  -0.631  -1.826
  111   2HG   LYS  17          2HG       LYS  17 -13.709  -1.576  -3.237
  112   1HD   LYS  17          1HD       LYS  17 -11.911  -3.157  -2.959
  113   2HD   LYS  17          2HD       LYS  17 -11.116  -2.151  -1.743
  114   1HE   LYS  17          1HE       LYS  17 -12.263  -4.029  -0.674
  115   2HE   LYS  17          2HE       LYS  17 -12.960  -2.483  -0.170
  116   1HZ   LYS  17          1HZ       LYS  17 -14.724  -2.848  -1.753
  117   2HZ   LYS  17          2HZ       LYS  17 -14.091  -4.316  -2.173
  118   3HZ   LYS  17          3HZ       LYS  17 -14.659  -4.049  -0.642
  119    H    ALA  18           H        ALA  18 -11.014   2.762  -4.162
  120    HA   ALA  18           HA       ALA  18  -8.553   2.349  -5.623
  121   1HB   ALA  18          1HB       ALA  18 -10.443   3.691  -6.499
  122   2HB   ALA  18          2HB       ALA  18 -10.227   4.860  -5.183
  123   3HB   ALA  18          3HB       ALA  18  -8.949   4.647  -6.392
  124    H    ARG  19           H        ARG  19  -9.580   4.199  -2.651
  125    HA   ARG  19           HA       ARG  19  -7.001   5.450  -2.335
  126   1HB   ARG  19          1HB       ARG  19  -9.156   6.326  -1.468
  127   2HB   ARG  19          2HB       ARG  19  -9.224   4.992  -0.304
  128   1HG   ARG  19          1HG       ARG  19  -7.133   5.751   0.749
  129   2HG   ARG  19          2HG       ARG  19  -6.955   7.034  -0.461
  130   1HD   ARG  19          1HD       ARG  19  -9.265   6.778   1.514
  131   2HD   ARG  19          2HD       ARG  19  -7.853   7.839   1.710
  132    HE   ARG  19           HE       ARG  19  -9.024   8.390  -0.809
  133   1HH1  ARG  19          1HH1      ARG  19  -9.737   8.817   2.643
  134   2HH1  ARG  19          2HH1      ARG  19 -10.738  10.223   2.390
  135   1HH2  ARG  19          1HH2      ARG  19 -10.339  10.234  -1.126
  136   2HH2  ARG  19          2HH2      ARG  19 -11.077  11.036   0.235
  137    H    VAL  20           H        VAL  20  -8.509   2.510  -1.132
  138    HA   VAL  20           HA       VAL  20  -6.523   1.934   0.847
  139    HB   VAL  20           HB       VAL  20  -9.140   1.214   0.528
  140   1HG1  VAL  20          1HG1      VAL  20  -8.656  -0.310  -1.340
  141   2HG1  VAL  20          2HG1      VAL  20  -7.816  -1.368  -0.189
  142   3HG1  VAL  20          3HG1      VAL  20  -9.540  -0.983   0.036
  143   1HG2  VAL  20          1HG2      VAL  20  -7.827   1.068   2.619
  144   2HG2  VAL  20          2HG2      VAL  20  -8.783  -0.401   2.355
  145   3HG2  VAL  20          3HG2      VAL  20  -7.037  -0.409   2.021
  146    H    LEU  21           H        LEU  21  -7.128   0.942  -2.517
  147    HA   LEU  21           HA       LEU  21  -4.982  -0.934  -2.648
  148   1HB   LEU  21          1HB       LEU  21  -6.660  -0.770  -4.492
  149   2HB   LEU  21          2HB       LEU  21  -6.170   0.900  -4.801
  150    HG   LEU  21           HG       LEU  21  -3.766  -0.047  -5.271
  151   1HD1  LEU  21          1HD2      LEU  21  -5.387  -2.613  -5.334
  152   2HD1  LEU  21          2HD2      LEU  21  -3.721  -2.407  -5.935
  153   3HD1  LEU  21          3HD2      LEU  21  -4.064  -2.227  -4.208
  154   1HD2  LEU  21          1HD1      LEU  21  -6.021  -0.797  -7.124
  155   2HD2  LEU  21          2HD1      LEU  21  -5.207   0.787  -7.014
  156   3HD2  LEU  21          3HD1      LEU  21  -4.291  -0.639  -7.530
  157    H    ALA  22           H        ALA  22  -5.210   2.565  -3.612
  158    HA   ALA  22           HA       ALA  22  -2.619   3.016  -4.356
  159   1HB   ALA  22          1HB       ALA  22  -4.405   4.666  -4.564
  160   2HB   ALA  22          2HB       ALA  22  -4.408   4.920  -2.805
  161   3HB   ALA  22          3HB       ALA  22  -2.986   5.368  -3.766
  162    H    GLU  23           H        GLU  23  -3.869   2.958  -1.026
  163    HA   GLU  23           HA       GLU  23  -1.472   3.787   0.260
  164   1HB   GLU  23          1HB       GLU  23  -3.982   3.561   1.115
  165   2HB   GLU  23          2HB       GLU  23  -3.562   1.896   1.409
  166   1HG   GLU  23          1HG       GLU  23  -3.282   3.149   3.468
  167   2HG   GLU  23          2HG       GLU  23  -1.701   2.588   2.907
  168    HE2  GLU  23           HE2      GLU  23  -2.606   6.559   2.624
  169    H    ALA  24           H        ALA  24  -2.796   0.677  -0.647
  170    HA   ALA  24           HA       ALA  24  -0.711  -0.799   0.741
  171   1HB   ALA  24          1HB       ALA  24  -3.010  -1.769   0.435
  172   2HB   ALA  24          2HB       ALA  24  -2.754  -1.777  -1.327
  173   3HB   ALA  24          3HB       ALA  24  -1.756  -2.802  -0.285
  174    H    MET  25           H        MET  25  -1.217   0.250  -2.661
  175    HA   MET  25           HA       MET  25   0.870  -1.568  -3.538
  176   1HB   MET  25          1HB       MET  25   0.738  -0.427  -5.644
  177   2HB   MET  25          2HB       MET  25  -0.753  -1.186  -5.104
  178   1HG   MET  25          1HG       MET  25  -1.339   0.756  -6.213
  179   2HG   MET  25          2HG       MET  25  -1.671   1.039  -4.561
  180   1HE   MET  25          1HE       MET  25   0.705   1.683  -7.547
  181   2HE   MET  25          2HE       MET  25   1.737   3.025  -7.004
  182   3HE   MET  25          3HE       MET  25   1.986   1.400  -6.340
  183    H    SER  26           H        SER  26   0.675   1.854  -2.555
  184    HA   SER  26           HA       SER  26   3.398   2.459  -3.142
  185   1HB   SER  26          1HB       SER  26   3.095   4.342  -1.593
  186   2HB   SER  26          2HB       SER  26   1.769   4.219  -2.764
  187    HG   SER  26           HG       SER  26   0.495   3.291  -1.165
  188    H    GLN  27           H        GLN  27   1.823   0.774  -0.458
  189    HA   GLN  27           HA       GLN  27   4.176   0.824   1.223
  190   1HB   GLN  27          1HB       GLN  27   1.699   0.664   2.022
  191   2HB   GLN  27          2HB       GLN  27   1.678  -0.960   1.383
  192   1HG   GLN  27          1HG       GLN  27   2.029  -0.924   3.811
  193   2HG   GLN  27          2HG       GLN  27   3.329  -1.747   2.954
  194   1HE2  GLN  27          2HE2      GLN  27   5.428  -0.723   2.811
  195   2HE2  GLN  27          1HE2      GLN  27   5.873   0.552   3.934
  196    H    VAL  28           H        VAL  28   2.690  -1.530  -0.981
  197    HA   VAL  28           HA       VAL  28   4.263  -3.819  -0.207
  198    HB   VAL  28           HB       VAL  28   2.570  -3.117  -2.617
  199   1HG1  VAL  28          1HG2      VAL  28   3.905  -5.776  -1.965
  200   2HG1  VAL  28          2HG2      VAL  28   2.609  -5.559  -3.161
  201   3HG1  VAL  28          3HG2      VAL  28   4.173  -4.776  -3.410
  202   1HG2  VAL  28          1HG1      VAL  28   1.568  -3.565  -0.203
  203   2HG2  VAL  28          2HG1      VAL  28   0.848  -4.341  -1.623
  204   3HG2  VAL  28          3HG1      VAL  28   1.950  -5.241  -0.556
  205    H    THR  29           H        THR  29   4.312  -1.501  -2.896
  206    HA   THR  29           HA       THR  29   6.765  -2.359  -4.089
  207    HB   THR  29           HB       THR  29   4.865  -0.848  -4.884
  208    HG1  THR  29           HG1      THR  29   7.591  -0.486  -5.605
  209   1HG2  THR  29          1HG2      THR  29   6.870   1.241  -4.095
  210   2HG2  THR  29          2HG2      THR  29   5.362   1.449  -5.038
  211   3HG2  THR  29          3HG2      THR  29   5.278   0.944  -3.331
  212    H    ASN  30           H        ASN  30   6.065  -0.141  -1.462
  213    HA   ASN  30           HA       ASN  30   8.754   0.839  -1.090
  214   1HB   ASN  30          1HB       ASN  30   6.788   1.948  -0.001
  215   2HB   ASN  30          2HB       ASN  30   6.602   0.502   0.964
  216   1HD2  ASN  30          2HD2      ASN  30   7.932   0.165   2.780
  217   2HD2  ASN  30          1HD2      ASN  30   9.118   1.343   3.304
  218    H    SER  31           H        SER  31   6.950  -1.981   0.068
  219    HA   SER  31           HA       SER  31   8.896  -2.884   1.984
  220   1HB   SER  31          1HB       SER  31   6.503  -3.643   1.925
  221   2HB   SER  31          2HB       SER  31   6.890  -4.628   0.499
  222    HG   SER  31           HG       SER  31   8.527  -5.625   1.802
  223    H    ALA  32           H        ALA  32   8.447  -3.321  -1.503
  224    HA   ALA  32           HA       ALA  32  10.726  -5.143  -1.795
  225   1HB   ALA  32          1HB       ALA  32   8.831  -5.330  -3.257
  226   2HB   ALA  32          2HB       ALA  32   9.125  -3.683  -3.883
  227   3HB   ALA  32          3HB       ALA  32  10.330  -4.975  -4.143
  228    H    THR  33           H        THR  33  10.213  -1.613  -1.867
  229    HA   THR  33           HA       THR  33  12.761  -1.023  -3.086
  230    HB   THR  33           HB       THR  33  10.532   0.469  -2.285
  231    HG1  THR  33           HG1      THR  33  11.716   2.154  -3.220
  232   1HG2  THR  33          1HG2      THR  33  12.909   1.548  -0.701
  233   2HG2  THR  33          2HG2      THR  33  11.312   2.291  -0.884
  234   3HG2  THR  33          3HG2      THR  33  11.488   0.813   0.046
  235    H    ILE  34           H        ILE  34  11.651  -1.823   0.180
  236    HA   ILE  34           HA       ILE  34  14.113  -1.156   1.478
  237    HB   ILE  34           HB       ILE  34  11.806  -2.961   2.183
  238   1HG1  ILE  34          1HG1      ILE  34  13.115  -0.468   3.383
  239   2HG1  ILE  34          2HG1      ILE  34  11.611  -0.527   2.447
  240   1HG2  ILE  34          1HG2      ILE  34  14.490  -2.767   3.554
  241   2HG2  ILE  34          2HG2      ILE  34  13.051  -3.424   4.364
  242   3HG2  ILE  34          3HG2      ILE  34  13.714  -4.243   2.965
  243   1HD1  ILE  34          1HD1      ILE  34  10.714  -2.100   4.240
  244   2HD1  ILE  34          2HD1      ILE  34  12.144  -1.643   5.211
  245   3HD1  ILE  34          3HD1      ILE  34  10.983  -0.401   4.716
  246    H    MET  35           H        MET  35  12.996  -3.945  -0.441
  247    HA   MET  35           HA       MET  35  15.157  -5.711   0.254
  248   1HB   MET  35          1HB       MET  35  13.527  -5.711  -2.288
  249   2HB   MET  35          2HB       MET  35  14.539  -7.001  -1.664
  250   1HG   MET  35          1HG       MET  35  12.108  -5.828  -0.275
  251   2HG   MET  35          2HG       MET  35  12.175  -7.286  -1.204
  252   1HE   MET  35          1HE       MET  35  13.429  -9.458  -0.490
  253   2HE   MET  35          2HE       MET  35  14.981  -8.679  -0.089
  254   3HE   MET  35          3HE       MET  35  14.181  -9.727   1.099
  255    H    MET  36           H        MET  36  14.605  -3.297  -2.363
  256    HA   MET  36           HA       MET  36  17.009  -3.921  -3.781
  257   1HB   MET  36          1HB       MET  36  16.178  -2.497  -5.324
  258   2HB   MET  36          2HB       MET  36  14.708  -2.677  -4.385
  259   1HG   MET  36          1HG       MET  36  14.734  -0.478  -4.633
  260   2HG   MET  36          2HG       MET  36  15.548  -0.541  -3.109
  261   1HE   MET  36          1HE       MET  36  15.752   0.444  -6.787
  262   2HE   MET  36          2HE       MET  36  17.483   0.716  -7.079
  263   3HE   MET  36          3HE       MET  36  16.867  -0.939  -6.908
  264    H    GLN  37           H        GLN  37  16.142  -1.668  -1.219
  265    HA   GLN  37           HA       GLN  37  18.543  -0.161  -1.069
  266   1HB   GLN  37          1HB       GLN  37  16.397   0.693  -0.428
  267   2HB   GLN  37          2HB       GLN  37  16.118  -0.663   0.683
  268   1HG   GLN  37          1HG       GLN  37  17.749   0.025   2.164
  269   2HG   GLN  37          2HG       GLN  37  18.378   1.250   1.014
  270   1HE2  GLN  37          2HE2      GLN  37  15.134   0.374   2.411
  271   2HE2  GLN  37          1HE2      GLN  37  14.715   2.012   2.867
  272    H    ARG  38           H        ARG  38  17.385  -3.175   0.423
  273    HA   ARG  38           HA       ARG  38  19.671  -3.468   2.217
  274   1HB   ARG  38          1HB       ARG  38  17.138  -4.374   2.100
  275   2HB   ARG  38          2HB       ARG  38  17.894  -5.831   1.624
  276   1HG   ARG  38          1HG       ARG  38  18.148  -6.207   3.865
  277   2HG   ARG  38          2HG       ARG  38  19.358  -4.924   3.923
  278   1HD   ARG  38          1HD       ARG  38  16.332  -4.613   4.294
  279   2HD   ARG  38          2HD       ARG  38  17.536  -4.608   5.594
  280    HE   ARG  38           HE       ARG  38  18.331  -2.588   3.854
  281   1HH1  ARG  38          1HH1      ARG  38  15.418  -3.251   5.798
  282   2HH1  ARG  38          2HH1      ARG  38  15.079  -1.563   6.083
  283   1HH2  ARG  38          1HH2      ARG  38  17.895  -0.391   4.296
  284   2HH2  ARG  38          2HH2      ARG  38  16.484   0.068   5.209
  285    H    GLY  39           H        GLY  39  20.452  -3.022  -0.146
  286   1HA   GLY  39          1HA       GLY  39  22.315  -5.112  -0.952
  287   2HA   GLY  39          2HA       GLY  39  21.040  -4.820  -2.161
  288    H    ASN  40           H        ASN  40  20.556  -2.244  -2.194
  289    HA   ASN  40           HA       ASN  40  22.970  -0.902  -3.124
  290   1HB   ASN  40          1HB       ASN  40  20.757  -0.769  -4.276
  291   2HB   ASN  40          2HB       ASN  40  20.092   0.069  -2.869
  292   1HD2  ASN  40          2HD2      ASN  40  19.668   2.074  -3.801
  293   2HD2  ASN  40          1HD2      ASN  40  20.900   3.095  -4.513
  294    H    PHE  41           H        PHE  41  23.745  -1.373  -0.872
  295    HA   PHE  41           HA       PHE  41  23.992   0.953   0.799
  296   1HB   PHE  41          1HB       PHE  41  21.882   0.222   1.696
  297   2HB   PHE  41          2HB       PHE  41  22.336  -1.463   1.634
  298    HD1  PHE  41           HD1      PHE  41  22.258  -2.308   3.808
  299    HD2  PHE  41           HD2      PHE  41  24.263   1.450   3.088
  300    HE1  PHE  41           HE1      PHE  41  23.221  -2.376   6.087
  301    HE2  PHE  41           HE2      PHE  41  25.264   1.334   5.348
  302    HZ   PHE  41           HZ       PHE  41  24.733  -0.559   6.858
  303    H    ARG  42           H        ARG  42  23.945  -2.576   0.873
  304    HA   ARG  42           HA       ARG  42  26.394  -3.126   2.160
  305   1HB   ARG  42          1HB       ARG  42  24.462  -4.649   1.642
  306   2HB   ARG  42          2HB       ARG  42  25.039  -4.765  -0.010
  307   1HG   ARG  42          1HG       ARG  42  27.112  -5.800   0.653
  308   2HG   ARG  42          2HG       ARG  42  26.827  -5.441   2.363
  309   1HD   ARG  42          1HD       ARG  42  26.451  -7.817   1.796
  310   2HD   ARG  42          2HD       ARG  42  25.046  -7.047   2.514
  311    HE   ARG  42           HE       ARG  42  25.448  -7.896  -0.319
  312   1HH1  ARG  42          1HH2      ARG  42  23.180  -6.554   2.093
  313   2HH1  ARG  42          2HH2      ARG  42  21.785  -6.834   1.087
  314   1HH2  ARG  42          1HH1      ARG  42  23.586  -8.272  -1.579
  315   2HH2  ARG  42          2HH1      ARG  42  22.011  -7.821  -0.977
  316    H    ASN  43           H        ASN  43  25.533  -2.720  -1.226
  317    HA   ASN  43           HA       ASN  43  28.109  -3.218  -2.402
  318   1HB   ASN  43          1HB       ASN  43  25.981  -3.357  -3.634
  319   2HB   ASN  43          2HB       ASN  43  25.687  -1.637  -3.376
  320   1HD2  ASN  43          2HD2      ASN  43  28.083  -3.909  -4.839
  321   2HD2  ASN  43          1HD2      ASN  43  28.582  -2.812  -6.110
  322    H    GLN  44           H        GLN  44  26.291  -0.276  -1.668
  323    HA   GLN  44           HA       GLN  44  27.971   1.630  -2.502
  324   1HB   GLN  44          1HB       GLN  44  26.175   1.819  -0.034
  325   2HB   GLN  44          2HB       GLN  44  26.814   3.156  -0.999
  326   1HG   GLN  44          1HG       GLN  44  25.697   2.177  -2.967
  327   2HG   GLN  44          2HG       GLN  44  24.827   1.057  -1.930
  328   1HE2  GLN  44          2HE2      GLN  44  23.394   2.928  -3.485
  329   2HE2  GLN  44          1HE2      GLN  44  22.660   4.111  -2.418
  330    H    ARG  45           H        ARG  45  27.805   0.091   0.616
  331    HA   ARG  45           HA       ARG  45  28.874   0.040   2.496
  332   1HB   ARG  45          1HB       ARG  45  30.727  -0.532   0.688
  333   2HB   ARG  45          2HB       ARG  45  31.405   1.025   1.146
  334   1HG   ARG  45          1HG       ARG  45  32.420  -0.618   2.476
  335   2HG   ARG  45          2HG       ARG  45  31.309   0.303   3.534
  336   1HD   ARG  45          1HD       ARG  45  31.402  -2.231   3.920
  337   2HD   ARG  45          2HD       ARG  45  29.807  -1.531   3.721
  338    HE   ARG  45           HE       ARG  45  29.481  -2.674   1.776
  339   1HH1  ARG  45          1HH1      ARG  45  32.950  -2.860   2.532
  340   2HH1  ARG  45          2HH1      ARG  45  33.295  -3.939   1.205
  341   1HH2  ARG  45          1HH2      ARG  45  29.941  -4.020   0.061
  342   2HH2  ARG  45          2HH2      ARG  45  31.561  -4.627  -0.215
  343    H    LYS  46           H        LYS  46  27.235   2.127   2.388
  344    HA   LYS  46           HA       LYS  46  28.539   4.567   3.379
  345   1HB   LYS  46          1HB       LYS  46  27.565   4.251   0.993
  346   2HB   LYS  46          2HB       LYS  46  26.026   4.115   1.746
  347   1HG   LYS  46          1HG       LYS  46  25.992   6.382   1.576
  348   2HG   LYS  46          2HG       LYS  46  27.082   6.433   2.963
  349   1HD   LYS  46          1HD       LYS  46  27.894   6.427   0.008
  350   2HD   LYS  46          2HD       LYS  46  27.826   7.821   1.081
  351   1HE   LYS  46          1HE       LYS  46  30.090   7.315   0.988
  352   2HE   LYS  46          2HE       LYS  46  29.581   6.670   2.553
  353   1HZ   LYS  46          1HZ       LYS  46  29.919   5.104   0.072
  354   2HZ   LYS  46          2HZ       LYS  46  31.028   5.209   1.284
  355   3HZ   LYS  46          3HZ       LYS  46  29.586   4.488   1.563
  356    H    ILE  47           H        ILE  47  25.744   4.811   3.523
  357    HA   ILE  47           HA       ILE  47  24.954   3.556   6.128
  358    HB   ILE  47           HB       ILE  47  23.961   5.642   6.924
  359   1HG1  ILE  47          1HG1      ILE  47  25.276   7.002   4.523
  360   2HG1  ILE  47          2HG1      ILE  47  23.541   6.712   4.707
  361   1HG2  ILE  47          1HG2      ILE  47  26.312   4.969   7.496
  362   2HG2  ILE  47          2HG2      ILE  47  26.895   6.077   6.237
  363   3HG2  ILE  47          3HG2      ILE  47  26.003   6.700   7.639
  364   1HD1  ILE  47          1HD1      ILE  47  23.552   8.092   6.791
  365   2HD1  ILE  47          2HD1      ILE  47  25.254   8.504   6.465
  366   3HD1  ILE  47          3HD1      ILE  47  23.993   8.983   5.321
  367    H    VAL  48           H        VAL  48  22.516   3.887   6.554
  368    HA   VAL  48           HA       VAL  48  20.825   4.254   4.240
  369    HB   VAL  48           HB       VAL  48  21.627   1.920   3.940
  370   1HG1  VAL  48          1HG2      VAL  48  21.943   1.296   6.336
  371   2HG1  VAL  48          2HG2      VAL  48  20.181   1.309   6.559
  372   3HG1  VAL  48          3HG2      VAL  48  20.924   0.139   5.462
  373   1HG2  VAL  48          1HG1      VAL  48  19.410   2.617   3.130
  374   2HG2  VAL  48          2HG1      VAL  48  19.492   0.900   3.563
  375   3HG2  VAL  48          3HG1      VAL  48  18.678   2.046   4.648
  Start of MODEL   12
    1   1H    LEU   1          1H        LEU   1 -35.620  -6.516   1.526
    2   2H    LEU   1          2H        LEU   1 -34.332  -7.141   2.408
    3    HA   LEU   1           HA       LEU   1 -33.996  -5.434   0.491
    4   1HB   LEU   1          1HB       LEU   1 -34.276  -3.711   2.986
    5   2HB   LEU   1          2HB       LEU   1 -33.724  -3.162   1.400
    6    HG   LEU   1           HG       LEU   1 -36.530  -4.167   2.066
    7   1HD1  LEU   1          1HD1      LEU   1 -35.988  -1.958   3.019
    8   2HD1  LEU   1          2HD1      LEU   1 -35.483  -1.383   1.416
    9   3HD1  LEU   1          3HD1      LEU   1 -37.177  -1.826   1.712
   10   1HD2  LEU   1          1HD2      LEU   1 -35.367  -3.074  -0.540
   11   2HD2  LEU   1          2HD2      LEU   1 -36.013  -4.711  -0.277
   12   3HD2  LEU   1          3HD2      LEU   1 -37.096  -3.318  -0.220
   13    H    GLU   2           H        GLU   2 -31.806  -4.418   0.458
   14    HA   GLU   2           HA       GLU   2 -29.886  -6.048   1.912
   15   1HB   GLU   2          1HB       GLU   2 -29.610  -3.757  -0.086
   16   2HB   GLU   2          2HB       GLU   2 -28.280  -4.733   0.553
   17   1HG   GLU   2          1HG       GLU   2 -29.286  -6.776  -0.418
   18   2HG   GLU   2          2HG       GLU   2 -30.620  -5.810  -1.076
   19    HE2  GLU   2           HE2      GLU   2 -26.907  -5.436  -2.705
   20    H    GLU   3           H        GLU   3 -30.882  -5.123   4.020
   21    HA   GLU   3           HA       GLU   3 -30.243  -2.474   4.664
   22   1HB   GLU   3          1HB       GLU   3 -31.245  -2.980   6.843
   23   2HB   GLU   3          2HB       GLU   3 -32.203  -3.768   5.574
   24   1HG   GLU   3          1HG       GLU   3 -30.849  -5.823   5.877
   25   2HG   GLU   3          2HG       GLU   3 -29.940  -5.040   7.156
   26    HE2  GLU   3           HE2      GLU   3 -32.613  -5.217   9.505
   27    H    MET   4           H        MET   4 -28.162  -4.301   4.167
   28    HA   MET   4           HA       MET   4 -26.200  -3.976   6.359
   29   1HB   MET   4          1HB       MET   4 -26.213  -6.041   4.985
   30   2HB   MET   4          2HB       MET   4 -25.860  -5.087   3.534
   31   1HG   MET   4          1HG       MET   4 -23.725  -4.337   4.554
   32   2HG   MET   4          2HG       MET   4 -24.079  -5.284   6.003
   33   1HE   MET   4          1HE       MET   4 -23.956  -7.827   6.183
   34   2HE   MET   4          2HE       MET   4 -25.136  -8.121   4.881
   35   3HE   MET   4          3HE       MET   4 -23.561  -8.938   4.854
   36    H    MET   5           H        MET   5 -26.977  -2.792   3.114
   37    HA   MET   5           HA       MET   5 -24.896  -0.831   2.872
   38   1HB   MET   5          1HB       MET   5 -27.641  -1.067   1.555
   39   2HB   MET   5          2HB       MET   5 -26.335   0.009   1.050
   40   1HG   MET   5          1HG       MET   5 -24.902  -1.906   0.515
   41   2HG   MET   5          2HG       MET   5 -26.119  -3.031   1.122
   42   1HE   MET   5          1HE       MET   5 -25.107  -0.563  -1.679
   43   2HE   MET   5          2HE       MET   5 -26.460  -0.673  -2.827
   44   3HE   MET   5          3HE       MET   5 -26.682   0.170  -1.280
   45    H    THR   6           H        THR   6 -28.199  -0.906   4.150
   46    HA   THR   6           HA       THR   6 -28.440   1.918   4.624
   47    HB   THR   6           HB       THR   6 -29.969  -0.361   5.944
   48    HG1  THR   6           HG1      THR   6 -30.408   0.973   3.481
   49   1HG2  THR   6          1HG2      THR   6 -31.794   1.322   6.024
   50   2HG2  THR   6          2HG2      THR   6 -30.385   1.854   6.958
   51   3HG2  THR   6          3HG2      THR   6 -30.696   2.546   5.351
   52    H    ALA   7           H        ALA   7 -27.442  -0.879   6.558
   53    HA   ALA   7           HA       ALA   7 -27.077   0.513   9.041
   54   1HB   ALA   7          1HB       ALA   7 -25.774  -2.035   8.004
   55   2HB   ALA   7          2HB       ALA   7 -25.692  -1.435   9.673
   56   3HB   ALA   7          3HB       ALA   7 -27.252  -1.909   8.980
   57    H    CYS   8           H        CYS   8 -24.651  -0.615   6.696
   58    HA   CYS   8           HA       CYS   8 -22.679   1.376   7.666
   59   1HB   CYS   8          1HB       CYS   8 -22.045  -1.030   7.352
   60   2HB   CYS   8          2HB       CYS   8 -22.327  -0.845   5.610
   61    HG   CYS   8           HG       CYS   8 -20.297   0.824   7.618
   62    H    GLN   9           H        GLN   9 -24.479   2.889   6.788
   63    HA   GLN   9           HA       GLN   9 -24.390   3.364   3.889
   64   1HB   GLN   9          1HB       GLN   9 -26.443   3.522   5.230
   65   2HB   GLN   9          2HB       GLN   9 -25.787   4.910   6.110
   66   1HG   GLN   9          1HG       GLN   9 -25.833   6.250   4.072
   67   2HG   GLN   9          2HG       GLN   9 -26.082   4.809   3.071
   68   1HE2  GLN   9          2HE2      GLN   9 -27.669   6.201   6.024
   69   2HE2  GLN   9          1HE2      GLN   9 -29.298   6.039   5.401
   70    H    GLY  10           H        GLY  10 -21.976   3.462   4.260
   71   1HA   GLY  10          1HA       GLY  10 -20.800   5.805   3.553
   72   2HA   GLY  10          2HA       GLY  10 -20.837   5.934   5.326
   73    H    VAL  11           H        VAL  11 -20.290   3.256   2.980
   74    HA   VAL  11           HA       VAL  11 -18.344   1.979   4.657
   75    HB   VAL  11           HB       VAL  11 -19.956   0.795   3.282
   76   1HG1  VAL  11          1HG1      VAL  11 -19.698   2.231   1.266
   77   2HG1  VAL  11          2HG1      VAL  11 -18.082   1.513   1.014
   78   3HG1  VAL  11          3HG1      VAL  11 -19.536   0.483   0.951
   79   1HG2  VAL  11          1HG2      VAL  11 -17.955  -0.322   4.218
   80   2HG2  VAL  11          2HG2      VAL  11 -18.414  -0.997   2.646
   81   3HG2  VAL  11          3HG2      VAL  11 -17.029   0.104   2.763
   82    H    GLY  12           H        GLY  12 -18.204   4.087   1.840
   83   1HA   GLY  12          1HA       GLY  12 -15.774   5.258   2.219
   84   2HA   GLY  12          2HA       GLY  12 -15.337   3.730   1.419
   85    H    GLY  13           H        GLY  13 -17.354   3.300  -0.359
   86   1HA   GLY  13          1HA       GLY  13 -18.219   3.940  -2.390
   87   2HA   GLY  13          2HA       GLY  13 -17.842   5.635  -2.025
   88    HA   PRO  14           HA       PRO  14 -15.072   3.920  -5.431
   89   1HB   PRO  14          1HB       PRO  14 -15.485   6.812  -6.340
   90   2HB   PRO  14          2HB       PRO  14 -15.447   5.334  -7.309
   91   1HG   PRO  14          1HG       PRO  14 -17.822   6.503  -6.710
   92   2HG   PRO  14          2HG       PRO  14 -17.602   4.733  -6.537
   93   1HD   PRO  14          1HD       PRO  14 -17.468   6.760  -4.323
   94   2HD   PRO  14          2HD       PRO  14 -18.409   5.241  -4.418
   95    H    GLY  15           H        GLY  15 -15.115   7.165  -4.254
   96   1HA   GLY  15          1HA       GLY  15 -12.436   7.956  -4.506
   97   2HA   GLY  15          2HA       GLY  15 -13.515   8.591  -3.247
   98    H    HIS  16           H        HIS  16 -13.942   6.619  -1.497
   99    HA   HIS  16           HA       HIS  16 -11.204   5.868  -0.573
  100   1HB   HIS  16          1HB       HIS  16 -12.662   7.134   1.002
  101   2HB   HIS  16          2HB       HIS  16 -13.839   5.825   0.956
  102    HD1  HIS  16           HD1      HIS  16 -10.179   6.427   1.929
  103    HD2  HIS  16           HD2      HIS  16 -13.402   3.838   2.781
  104    HE1  HIS  16           HE1      HIS  16  -9.461   4.920   3.878
  105    HE2  HIS  16           HE2      HIS  16 -11.407   3.339   4.416
  106    H    LYS  17           H        LYS  17 -11.252   4.636  -2.316
  107    HA   LYS  17           HA       LYS  17 -11.306   1.845  -1.770
  108   1HB   LYS  17          1HB       LYS  17 -13.601   2.087  -2.786
  109   2HB   LYS  17          2HB       LYS  17 -12.843   2.726  -4.234
  110   1HG   LYS  17          1HG       LYS  17 -13.376   0.391  -4.541
  111   2HG   LYS  17          2HG       LYS  17 -11.638   0.652  -4.623
  112   1HD   LYS  17          1HD       LYS  17 -12.278  -1.409  -3.390
  113   2HD   LYS  17          2HD       LYS  17 -11.285  -0.313  -2.439
  114   1HE   LYS  17          1HE       LYS  17 -13.120  -1.307  -1.115
  115   2HE   LYS  17          2HE       LYS  17 -13.253   0.452  -1.172
  116   1HZ   LYS  17          1HZ       LYS  17 -14.772  -1.434  -2.839
  117   2HZ   LYS  17          2HZ       LYS  17 -15.348  -0.622  -1.525
  118   3HZ   LYS  17          3HZ       LYS  17 -14.909   0.210  -2.877
  119    H    ALA  18           H        ALA  18 -11.135   4.406  -4.219
  120    HA   ALA  18           HA       ALA  18  -8.748   3.610  -5.557
  121   1HB   ALA  18          1HB       ALA  18 -10.085   6.343  -5.185
  122   2HB   ALA  18          2HB       ALA  18  -8.842   5.957  -6.388
  123   3HB   ALA  18          3HB       ALA  18 -10.442   5.188  -6.480
  124    H    ARG  19           H        ARG  19  -9.531   5.584  -2.613
  125    HA   ARG  19           HA       ARG  19  -6.838   6.546  -2.254
  126   1HB   ARG  19          1HB       ARG  19  -9.122   7.387  -1.265
  127   2HB   ARG  19          2HB       ARG  19  -8.836   6.196   0.006
  128   1HG   ARG  19          1HG       ARG  19  -6.544   7.234   0.362
  129   2HG   ARG  19          2HG       ARG  19  -6.973   8.442  -0.861
  130   1HD   ARG  19          1HD       ARG  19  -7.410   9.528   1.156
  131   2HD   ARG  19          2HD       ARG  19  -9.015   8.998   0.614
  132    HE   ARG  19           HE       ARG  19  -7.759   7.029   2.314
  133   1HH1  ARG  19          1HH2      ARG  19  -9.339  10.206   2.476
  134   2HH1  ARG  19          2HH2      ARG  19  -9.734  10.066   4.169
  135   1HH2  ARG  19          1HH1      ARG  19  -8.239   6.883   4.558
  136   2HH2  ARG  19          2HH1      ARG  19  -9.127   8.159   5.348
  137    H    VAL  20           H        VAL  20  -8.742   3.848  -1.069
  138    HA   VAL  20           HA       VAL  20  -6.879   2.824   0.862
  139    HB   VAL  20           HB       VAL  20  -9.120   1.422  -0.639
  140   1HG1  VAL  20          1HG2      VAL  20  -7.648   0.642   1.914
  141   2HG1  VAL  20          2HG2      VAL  20  -9.103  -0.160   1.289
  142   3HG1  VAL  20          3HG2      VAL  20  -7.599  -0.227   0.364
  143   1HG2  VAL  20          1HG1      VAL  20  -9.102   2.756   2.097
  144   2HG2  VAL  20          2HG1      VAL  20  -9.959   3.358   0.660
  145   3HG2  VAL  20          3HG1      VAL  20 -10.457   1.837   1.409
  146    H    LEU  21           H        LEU  21  -7.488   2.198  -2.588
  147    HA   LEU  21           HA       LEU  21  -5.532   0.137  -2.859
  148   1HB   LEU  21          1HB       LEU  21  -7.238   0.529  -4.581
  149   2HB   LEU  21          2HB       LEU  21  -6.596   2.152  -4.864
  150    HG   LEU  21           HG       LEU  21  -4.355   1.062  -5.537
  151   1HD1  LEU  21          1HD1      LEU  21  -6.091  -1.457  -5.497
  152   2HD1  LEU  21          2HD1      LEU  21  -4.483  -1.316  -6.234
  153   3HD1  LEU  21          3HD1      LEU  21  -4.662  -1.169  -4.483
  154   1HD2  LEU  21          1HD2      LEU  21  -6.864   0.410  -7.085
  155   2HD2  LEU  21          2HD2      LEU  21  -5.966   1.952  -7.098
  156   3HD2  LEU  21          3HD2      LEU  21  -5.198   0.477  -7.735
  157    H    ALA  22           H        ALA  22  -5.396   3.719  -3.507
  158    HA   ALA  22           HA       ALA  22  -2.729   3.888  -4.235
  159   1HB   ALA  22          1HB       ALA  22  -4.317   5.755  -4.366
  160   2HB   ALA  22          2HB       ALA  22  -4.310   5.907  -2.596
  161   3HB   ALA  22          3HB       ALA  22  -2.831   6.228  -3.520
  162    H    GLU  23           H        GLU  23  -4.073   3.661  -0.941
  163    HA   GLU  23           HA       GLU  23  -1.653   4.157   0.514
  164   1HB   GLU  23          1HB       GLU  23  -4.172   4.119   1.254
  165   2HB   GLU  23          2HB       GLU  23  -3.951   2.389   1.409
  166   1HG   GLU  23          1HG       GLU  23  -2.075   2.722   2.984
  167   2HG   GLU  23          2HG       GLU  23  -2.258   4.479   2.840
  168    HE2  GLU  23           HE2      GLU  23  -5.304   4.549   4.673
  169    H    ALA  24           H        ALA  24  -3.288   1.250  -0.666
  170    HA   ALA  24           HA       ALA  24  -1.379  -0.576   0.523
  171   1HB   ALA  24          1HB       ALA  24  -3.711  -1.261   0.015
  172   2HB   ALA  24          2HB       ALA  24  -3.394  -1.061  -1.724
  173   3HB   ALA  24          3HB       ALA  24  -2.532  -2.308  -0.802
  174    H    MET  25           H        MET  25  -1.666   0.998  -2.644
  175    HA   MET  25           HA       MET  25   0.595  -0.427  -3.777
  176   1HB   MET  25          1HB       MET  25  -1.009   2.054  -4.606
  177   2HB   MET  25          2HB       MET  25   0.203   1.282  -5.622
  178   1HG   MET  25          1HG       MET  25  -2.394  -0.031  -4.681
  179   2HG   MET  25          2HG       MET  25  -2.069   0.674  -6.224
  180   1HE   MET  25          1HE       MET  25  -0.285  -0.266  -7.919
  181   2HE   MET  25          2HE       MET  25   1.051  -0.555  -6.774
  182   3HE   MET  25          3HE       MET  25   0.467  -1.873  -7.807
  183    H    SER  26           H        SER  26   0.367   1.895  -1.396
  184    HA   SER  26           HA       SER  26   3.038   3.082  -2.046
  185   1HB   SER  26          1HB       SER  26   0.928   3.936  -0.022
  186   2HB   SER  26          2HB       SER  26   2.547   4.633  -0.190
  187    HG   SER  26           HG       SER  26   0.547   4.558  -2.192
  188    H    GLN  27           H        GLN  27   1.311   0.759  -0.105
  189    HA   GLN  27           HA       GLN  27   3.456   0.474   1.885
  190   1HB   GLN  27          1HB       GLN  27   0.878   0.473   2.298
  191   2HB   GLN  27          2HB       GLN  27   0.869  -1.119   1.556
  192   1HG   GLN  27          1HG       GLN  27   2.499  -1.932   3.259
  193   2HG   GLN  27          2HG       GLN  27   2.486  -0.333   4.020
  194   1HE2  GLN  27          2HE2      GLN  27   0.164   0.501   4.579
  195   2HE2  GLN  27          1HE2      GLN  27  -0.908  -0.686   5.293
  196    H    VAL  28           H        VAL  28   1.877  -1.537  -0.656
  197    HA   VAL  28           HA       VAL  28   3.272  -3.971  -0.055
  198    HB   VAL  28           HB       VAL  28   1.697  -2.943  -2.448
  199   1HG1  VAL  28          1HG2      VAL  28   2.758  -5.755  -1.912
  200   2HG1  VAL  28          2HG2      VAL  28   1.546  -5.345  -3.144
  201   3HG1  VAL  28          3HG2      VAL  28   3.187  -4.706  -3.281
  202   1HG2  VAL  28          1HG1      VAL  28   0.444  -3.307  -0.265
  203   2HG2  VAL  28          2HG1      VAL  28  -0.095  -4.337  -1.599
  204   3HG2  VAL  28          3HG1      VAL  28   0.955  -4.998  -0.323
  205    H    THR  29           H        THR  29   3.507  -1.450  -2.629
  206    HA   THR  29           HA       THR  29   5.707  -2.206  -3.961
  207    HB   THR  29           HB       THR  29   4.526   0.520  -3.190
  208    HG1  THR  29           HG1      THR  29   3.627  -1.409  -5.091
  209   1HG2  THR  29          1HG2      THR  29   4.901   1.040  -5.498
  210   2HG2  THR  29          2HG2      THR  29   6.439   0.596  -4.661
  211   3HG2  THR  29          3HG2      THR  29   5.622  -0.591  -5.755
  212    H    ASN  30           H        ASN  30   5.412  -0.546  -0.834
  213    HA   ASN  30           HA       ASN  30   8.195   0.243  -0.650
  214   1HB   ASN  30          1HB       ASN  30   6.118   1.147   0.617
  215   2HB   ASN  30          2HB       ASN  30   6.425  -0.142   1.760
  216   1HD2  ASN  30          2HD2      ASN  30   9.091  -0.296   2.145
  217   2HD2  ASN  30          1HD2      ASN  30   9.739   1.245   2.665
  218    H    SER  31           H        SER  31   6.177  -2.419   0.515
  219    HA   SER  31           HA       SER  31   8.155  -3.777   2.084
  220   1HB   SER  31          1HB       SER  31   5.740  -4.961   0.641
  221   2HB   SER  31          2HB       SER  31   6.691  -5.732   1.917
  222    HG   SER  31           HG       SER  31   4.798  -4.675   2.693
  223    H    ALA  32           H        ALA  32   7.352  -3.744  -1.350
  224    HA   ALA  32           HA       ALA  32   9.335  -5.783  -2.078
  225   1HB   ALA  32          1HB       ALA  32   7.305  -5.578  -3.342
  226   2HB   ALA  32          2HB       ALA  32   7.747  -3.914  -3.821
  227   3HB   ALA  32          3HB       ALA  32   8.747  -5.299  -4.341
  228    H    THR  33           H        THR  33   9.281  -2.212  -1.776
  229    HA   THR  33           HA       THR  33  11.764  -1.840  -3.197
  230    HB   THR  33           HB       THR  33   9.863  -0.149  -2.029
  231    HG1  THR  33           HG1      THR  33  12.429   0.477  -3.020
  232   1HG2  THR  33          1HG2      THR  33  12.501   0.421  -0.615
  233   2HG2  THR  33          2HG2      THR  33  11.027   1.401  -0.585
  234   3HG2  THR  33          3HG2      THR  33  11.045  -0.175   0.196
  235    H    ILE  34           H        ILE  34  10.866  -2.825   0.079
  236    HA   ILE  34           HA       ILE  34  13.520  -2.626   1.155
  237    HB   ILE  34           HB       ILE  34  11.041  -4.148   1.946
  238   1HG1  ILE  34          1HG1      ILE  34  12.871  -2.112   3.306
  239   2HG1  ILE  34          2HG1      ILE  34  11.338  -1.754   2.487
  240   1HG2  ILE  34          1HG2      ILE  34  13.826  -4.537   3.082
  241   2HG2  ILE  34          2HG2      ILE  34  12.346  -5.090   3.899
  242   3HG2  ILE  34          3HG2      ILE  34  12.800  -5.796   2.366
  243   1HD1  ILE  34          1HD1      ILE  34  10.234  -3.369   4.120
  244   2HD1  ILE  34          2HD1      ILE  34  11.767  -3.338   5.036
  245   3HD1  ILE  34          3HD1      ILE  34  10.854  -1.840   4.799
  246    H    MET  35           H        MET  35  11.850  -5.006  -0.912
  247    HA   MET  35           HA       MET  35  13.802  -7.107  -0.584
  248   1HB   MET  35          1HB       MET  35  11.972  -6.647  -2.942
  249   2HB   MET  35          2HB       MET  35  12.853  -8.114  -2.526
  250   1HG   MET  35          1HG       MET  35  10.748  -6.796  -0.783
  251   2HG   MET  35          2HG       MET  35  10.521  -8.133  -1.865
  252   1HE   MET  35          1HE       MET  35   9.307  -9.318   0.211
  253   2HE   MET  35          2HE       MET  35  10.110  -9.645   1.764
  254   3HE   MET  35          3HE       MET  35   9.731  -7.972   1.297
  255    H    MET  36           H        MET  36  13.378  -4.373  -2.880
  256    HA   MET  36           HA       MET  36  15.550  -5.118  -4.587
  257   1HB   MET  36          1HB       MET  36  14.792  -3.418  -5.879
  258   2HB   MET  36          2HB       MET  36  13.393  -3.538  -4.826
  259   1HG   MET  36          1HG       MET  36  13.677  -1.346  -4.795
  260   2HG   MET  36          2HG       MET  36  14.683  -1.686  -3.416
  261   1HE   MET  36          1HE       MET  36  14.853   1.070  -4.691
  262   2HE   MET  36          2HE       MET  36  15.929   0.542  -3.373
  263   3HE   MET  36          3HE       MET  36  16.610   1.318  -4.821
  264    H    GLN  37           H        GLN  37  15.243  -3.200  -1.666
  265    HA   GLN  37           HA       GLN  37  17.908  -2.064  -1.644
  266   1HB   GLN  37          1HB       GLN  37  15.884  -0.875  -0.810
  267   2HB   GLN  37          2HB       GLN  37  15.481  -2.255   0.217
  268   1HG   GLN  37          1HG       GLN  37  17.263  -1.935   1.651
  269   2HG   GLN  37          2HG       GLN  37  18.020  -0.742   0.542
  270   1HE2  GLN  37          2HE2      GLN  37  14.809  -1.252   2.163
  271   2HE2  GLN  37          1HE2      GLN  37  14.643   0.401   2.717
  272    H    ARG  38           H        ARG  38  16.305  -4.911  -0.287
  273    HA   ARG  38           HA       ARG  38  18.151  -5.320   1.778
  274   1HB   ARG  38          1HB       ARG  38  15.902  -6.358   1.444
  275   2HB   ARG  38          2HB       ARG  38  16.642  -7.597   0.470
  276   1HG   ARG  38          1HG       ARG  38  16.713  -8.580   2.572
  277   2HG   ARG  38          2HG       ARG  38  18.165  -7.602   2.825
  278   1HD   ARG  38          1HD       ARG  38  15.282  -6.789   3.540
  279   2HD   ARG  38          2HD       ARG  38  16.448  -7.446   4.690
  280    HE   ARG  38           HE       ARG  38  17.802  -5.317   3.707
  281   1HH1  ARG  38          1HH1      ARG  38  14.572  -5.603   5.175
  282   2HH1  ARG  38          2HH1      ARG  38  14.603  -3.982   5.819
  283   1HH2  ARG  38          1HH2      ARG  38  17.828  -3.233   4.566
  284   2HH2  ARG  38          2HH2      ARG  38  16.460  -2.625   5.462
  285    H    GLY  39           H        GLY  39  20.043  -5.961   1.787
  286   1HA   GLY  39          1HA       GLY  39  22.057  -7.089   1.169
  287   2HA   GLY  39          2HA       GLY  39  21.418  -7.374  -0.457
  288    H    ASN  40           H        ASN  40  20.482  -4.461  -0.788
  289    HA   ASN  40           HA       ASN  40  23.029  -3.463  -1.754
  290   1HB   ASN  40          1HB       ASN  40  20.962  -3.177  -3.051
  291   2HB   ASN  40          2HB       ASN  40  20.260  -2.212  -1.746
  292   1HD2  ASN  40          2HD2      ASN  40  23.322  -2.304  -3.690
  293   2HD2  ASN  40          1HD2      ASN  40  23.395  -0.572  -3.930
  294    H    PHE  41           H        PHE  41  20.609  -2.414   0.715
  295    HA   PHE  41           HA       PHE  41  21.768  -0.117   1.636
  296   1HB   PHE  41          1HB       PHE  41  20.524  -0.341   3.551
  297   2HB   PHE  41          2HB       PHE  41  19.587  -1.174   2.317
  298    HD1  PHE  41           HD1      PHE  41  20.130  -3.885   2.287
  299    HD2  PHE  41           HD2      PHE  41  20.551  -1.249   5.671
  300    HE1  PHE  41           HE1      PHE  41  20.028  -5.833   3.830
  301    HE2  PHE  41           HE2      PHE  41  20.374  -3.186   7.195
  302    HZ   PHE  41           HZ       PHE  41  20.120  -5.481   6.278
  303    H    ARG  42           H        ARG  42  22.384  -3.311   2.814
  304    HA   ARG  42           HA       ARG  42  24.357  -3.091   4.729
  305   1HB   ARG  42          1HB       ARG  42  23.124  -5.073   3.962
  306   2HB   ARG  42          2HB       ARG  42  24.083  -5.162   2.523
  307   1HG   ARG  42          1HG       ARG  42  25.265  -5.347   5.340
  308   2HG   ARG  42          2HG       ARG  42  24.652  -6.740   4.454
  309   1HD   ARG  42          1HD       ARG  42  27.069  -5.047   3.758
  310   2HD   ARG  42          2HD       ARG  42  27.020  -6.751   4.159
  311    HE   ARG  42           HE       ARG  42  26.537  -5.498   1.587
  312   1HH1  ARG  42          1HH2      ARG  42  25.798  -8.408   3.486
  313   2HH1  ARG  42          2HH2      ARG  42  25.329  -9.345   2.091
  314   1HH2  ARG  42          1HH1      ARG  42  25.858  -6.717  -0.216
  315   2HH2  ARG  42          2HH1      ARG  42  25.393  -8.387  -0.025
  316    H    ASN  43           H        ASN  43  24.799  -3.415   1.241
  317    HA   ASN  43           HA       ASN  43  27.675  -3.390   1.291
  318   1HB   ASN  43          1HB       ASN  43  26.314  -4.516  -0.452
  319   2HB   ASN  43          2HB       ASN  43  25.741  -2.946  -1.021
  320   1HD2  ASN  43          2HD2      ASN  43  28.745  -4.873  -0.519
  321   2HD2  ASN  43          1HD2      ASN  43  29.640  -4.108  -1.814
  322    H    GLN  44           H        GLN  44  25.202  -0.973   0.542
  323    HA   GLN  44           HA       GLN  44  26.625   0.984  -0.548
  324   1HB   GLN  44          1HB       GLN  44  24.134   0.988   1.111
  325   2HB   GLN  44          2HB       GLN  44  24.682   2.478   0.355
  326   1HG   GLN  44          1HG       GLN  44  24.574   0.003  -1.387
  327   2HG   GLN  44          2HG       GLN  44  23.090   0.767  -0.843
  328   1HE2  GLN  44          2HE2      GLN  44  22.542   1.400  -3.005
  329   2HE2  GLN  44          1HE2      GLN  44  23.399   2.689  -3.830
  330    H    ARG  45           H        ARG  45  26.634   3.301   0.414
  331    HA   ARG  45           HA       ARG  45  27.743   4.864   1.607
  332   1HB   ARG  45          1HB       ARG  45  27.586   3.036   4.040
  333   2HB   ARG  45          2HB       ARG  45  27.881   4.767   4.006
  334   1HG   ARG  45          1HG       ARG  45  25.301   3.318   3.270
  335   2HG   ARG  45          2HG       ARG  45  25.602   4.318   4.686
  336   1HD   ARG  45          1HD       ARG  45  25.433   5.239   1.784
  337   2HD   ARG  45          2HD       ARG  45  24.273   5.569   3.060
  338    HE   ARG  45           HE       ARG  45  26.770   6.942   2.505
  339   1HH1  ARG  45          1HH1      ARG  45  24.482   6.204   5.122
  340   2HH1  ARG  45          2HH1      ARG  45  24.922   7.605   6.064
  341   1HH2  ARG  45          1HH2      ARG  45  27.330   8.766   3.748
  342   2HH2  ARG  45          2HH2      ARG  45  26.552   9.065   5.280
  343    H    LYS  46           H        LYS  46  29.482   4.130  -0.065
  344    HA   LYS  46           HA       LYS  46  31.649   2.519   0.572
  345   1HB   LYS  46          1HB       LYS  46  30.640   4.353  -1.634
  346   2HB   LYS  46          2HB       LYS  46  31.788   3.070  -1.679
  347   1HG   LYS  46          1HG       LYS  46  28.831   2.781  -1.403
  348   2HG   LYS  46          2HG       LYS  46  29.836   2.316  -2.756
  349   1HD   LYS  46          1HD       LYS  46  29.926   0.984  -0.001
  350   2HD   LYS  46          2HD       LYS  46  28.975   0.456  -1.384
  351   1HE   LYS  46          1HE       LYS  46  30.820  -0.941  -1.434
  352   2HE   LYS  46          2HE       LYS  46  31.124   0.233  -2.723
  353   1HZ   LYS  46          1HZ       LYS  46  32.270   0.288  -0.011
  354   2HZ   LYS  46          2HZ       LYS  46  33.048  -0.222  -1.369
  355   3HZ   LYS  46          3HZ       LYS  46  32.619   1.357  -1.216
  356    H    ILE  47           H        ILE  47  32.471   4.758  -1.012
  357    HA   ILE  47           HA       ILE  47  34.276   6.152   0.865
  358    HB   ILE  47           HB       ILE  47  33.914   6.717  -2.103
  359   1HG1  ILE  47          1HG1      ILE  47  34.478   4.388  -1.952
  360   2HG1  ILE  47          2HG1      ILE  47  35.880   5.300  -2.492
  361   1HG2  ILE  47          1HG2      ILE  47  36.170   7.355  -0.150
  362   2HG2  ILE  47          2HG2      ILE  47  36.247   7.585  -1.909
  363   3HG2  ILE  47          3HG2      ILE  47  35.095   8.513  -0.945
  364   1HD1  ILE  47          1HD1      ILE  47  36.853   5.166  -0.197
  365   2HD1  ILE  47          2HD1      ILE  47  35.442   4.217   0.330
  366   3HD1  ILE  47          3HD1      ILE  47  36.536   3.575  -0.902
  367    H    VAL  48           H        VAL  48  32.497   6.940   2.170
  368    HA   VAL  48           HA       VAL  48  30.749   9.047   1.184
  369    HB   VAL  48           HB       VAL  48  31.432   8.066   3.988
  370   1HG1  VAL  48          1HG2      VAL  48  29.246   9.986   3.066
  371   2HG1  VAL  48          2HG2      VAL  48  29.395   9.290   4.696
  372   3HG1  VAL  48          3HG2      VAL  48  30.632  10.397   4.100
  373   1HG2  VAL  48          1HG1      VAL  48  29.000   7.579   2.205
  374   2HG2  VAL  48          2HG1      VAL  48  30.244   6.380   2.607
  375   3HG2  VAL  48          3HG1      VAL  48  29.195   7.013   3.878
  Start of MODEL   13
    1   1H    LEU   1          1H        LEU   1 -34.856  -1.753  -4.527
    2   2H    LEU   1          2H        LEU   1 -35.253  -3.387  -4.479
    3    HA   LEU   1           HA       LEU   1 -36.296  -2.156  -2.210
    4   1HB   LEU   1          1HB       LEU   1 -33.948  -4.073  -2.499
    5   2HB   LEU   1          2HB       LEU   1 -34.897  -3.806  -1.032
    6    HG   LEU   1           HG       LEU   1 -35.922  -5.060  -3.621
    7   1HD1  LEU   1          1HD1      LEU   1 -34.363  -6.483  -2.346
    8   2HD1  LEU   1          2HD1      LEU   1 -35.346  -6.259  -0.882
    9   3HD1  LEU   1          3HD1      LEU   1 -36.018  -7.116  -2.286
   10   1HD2  LEU   1          1HD2      LEU   1 -37.317  -4.584  -0.945
   11   2HD2  LEU   1          2HD2      LEU   1 -37.769  -3.872  -2.511
   12   3HD2  LEU   1          3HD2      LEU   1 -37.942  -5.610  -2.252
   13    H    GLU   2           H        GLU   2 -34.831  -1.615  -0.254
   14    HA   GLU   2           HA       GLU   2 -33.065   0.591  -0.972
   15   1HB   GLU   2          1HB       GLU   2 -34.797   0.470   0.908
   16   2HB   GLU   2          2HB       GLU   2 -33.650  -0.521   1.805
   17   1HG   GLU   2          1HG       GLU   2 -33.130   2.301   0.717
   18   2HG   GLU   2          2HG       GLU   2 -33.681   1.913   2.347
   19    HE2  GLU   2           HE2      GLU   2 -29.788   1.454   1.401
   20    H    GLU   3           H        GLU   3 -31.818  -1.138  -2.219
   21    HA   GLU   3           HA       GLU   3 -29.946  -2.637  -0.612
   22   1HB   GLU   3          1HB       GLU   3 -29.604  -3.973  -2.604
   23   2HB   GLU   3          2HB       GLU   3 -31.351  -3.748  -2.420
   24   1HG   GLU   3          1HG       GLU   3 -31.184  -1.763  -3.922
   25   2HG   GLU   3          2HG       GLU   3 -29.480  -2.045  -4.115
   26    HE2  GLU   3           HE2      GLU   3 -29.983  -4.831  -6.292
   27    H    MET   4           H        MET   4 -29.826   0.102  -1.242
   28    HA   MET   4           HA       MET   4 -27.249   0.668  -2.471
   29   1HB   MET   4          1HB       MET   4 -29.049   2.425  -0.793
   30   2HB   MET   4          2HB       MET   4 -27.625   2.919  -1.697
   31   1HG   MET   4          1HG       MET   4 -30.243   1.856  -2.799
   32   2HG   MET   4          2HG       MET   4 -29.502   3.440  -3.012
   33   1HE   MET   4          1HE       MET   4 -27.441   3.978  -4.495
   34   2HE   MET   4          2HE       MET   4 -26.439   2.673  -3.813
   35   3HE   MET   4          3HE       MET   4 -26.649   2.805  -5.571
   36    H    MET   5           H        MET   5 -28.551   0.097   0.816
   37    HA   MET   5           HA       MET   5 -26.342   0.712   2.351
   38   1HB   MET   5          1HB       MET   5 -28.576   0.902   3.190
   39   2HB   MET   5          2HB       MET   5 -29.137  -0.635   2.483
   40   1HG   MET   5          1HG       MET   5 -27.916  -1.937   3.807
   41   2HG   MET   5          2HG       MET   5 -26.941  -0.526   4.296
   42   1HE   MET   5          1HE       MET   5 -30.826  -1.298   4.140
   43   2HE   MET   5          2HE       MET   5 -30.113  -2.722   4.930
   44   3HE   MET   5          3HE       MET   5 -31.188  -1.641   5.846
   45    H    THR   6           H        THR   6 -27.795  -2.119   0.761
   46    HA   THR   6           HA       THR   6 -26.063  -4.097   1.893
   47    HB   THR   6           HB       THR   6 -27.655  -4.242  -0.702
   48    HG1  THR   6           HG1      THR   6 -28.459  -4.736   1.970
   49   1HG2  THR   6          1HG2      THR   6 -27.817  -6.644  -0.131
   50   2HG2  THR   6          2HG2      THR   6 -26.129  -6.154  -0.351
   51   3HG2  THR   6          3HG2      THR   6 -26.779  -6.385   1.287
   52    H    ALA   7           H        ALA   7 -26.059  -2.186  -1.082
   53    HA   ALA   7           HA       ALA   7 -23.723  -3.364  -2.272
   54   1HB   ALA   7          1HB       ALA   7 -25.003  -0.634  -2.698
   55   2HB   ALA   7          2HB       ALA   7 -23.741  -1.359  -3.715
   56   3HB   ALA   7          3HB       ALA   7 -25.339  -2.121  -3.604
   57    H    CYS   8           H        CYS   8 -24.118  -0.163  -0.767
   58    HA   CYS   8           HA       CYS   8 -21.222   0.029  -0.231
   59   1HB   CYS   8          1HB       CYS   8 -23.486   2.030   0.208
   60   2HB   CYS   8          2HB       CYS   8 -21.752   2.353   0.405
   61    HG   CYS   8           HG       CYS   8 -22.623   3.428  -1.797
   62    H    GLN   9           H        GLN   9 -21.835  -1.999   1.151
   63    HA   GLN   9           HA       GLN   9 -22.906  -1.444   3.797
   64   1HB   GLN   9          1HB       GLN   9 -23.193  -3.573   2.566
   65   2HB   GLN   9          2HB       GLN   9 -21.463  -3.906   2.730
   66   1HG   GLN   9          1HG       GLN   9 -21.696  -3.890   5.201
   67   2HG   GLN   9          2HG       GLN   9 -23.415  -3.489   5.047
   68   1HE2  GLN   9          2HE2      GLN   9 -24.671  -5.090   3.520
   69   2HE2  GLN   9          1HE2      GLN   9 -24.336  -6.787   3.799
   70    H    GLY  10           H        GLY  10 -19.730  -2.292   2.466
   71   1HA   GLY  10          1HA       GLY  10 -18.353  -0.635   4.493
   72   2HA   GLY  10          2HA       GLY  10 -17.943  -2.362   4.446
   73    H    VAL  11           H        VAL  11 -18.777  -0.064   1.812
   74    HA   VAL  11           HA       VAL  11 -16.613  -0.922   0.143
   75    HB   VAL  11           HB       VAL  11 -18.769  -0.312  -0.696
   76   1HG1  VAL  11          1HG1      VAL  11 -19.163   1.635   0.780
   77   2HG1  VAL  11          2HG1      VAL  11 -17.907   2.531  -0.118
   78   3HG1  VAL  11          3HG1      VAL  11 -19.383   1.990  -0.954
   79   1HG2  VAL  11          1HG2      VAL  11 -16.769  -0.338  -2.165
   80   2HG2  VAL  11          2HG2      VAL  11 -17.945   0.889  -2.668
   81   3HG2  VAL  11          3HG2      VAL  11 -16.477   1.377  -1.801
   82    H    GLY  12           H        GLY  12 -17.199   1.855   2.231
   83   1HA   GLY  12          1HA       GLY  12 -15.554   3.014   3.447
   84   2HA   GLY  12          2HA       GLY  12 -14.299   2.462   2.332
   85    H    GLY  13           H        GLY  13 -15.715   3.138  -0.100
   86   1HA   GLY  13          1HA       GLY  13 -16.382   4.914  -1.429
   87   2HA   GLY  13          2HA       GLY  13 -16.305   6.000  -0.031
   88    HA   PRO  14           HA       PRO  14 -12.770   6.630  -3.152
   89   1HB   PRO  14          1HB       PRO  14 -12.989   9.442  -3.178
   90   2HB   PRO  14          2HB       PRO  14 -13.786   8.308  -4.273
   91   1HG   PRO  14          1HG       PRO  14 -14.985   9.625  -1.865
   92   2HG   PRO  14          2HG       PRO  14 -15.708   9.363  -3.472
   93   1HD   PRO  14          1HD       PRO  14 -16.264   7.746  -1.381
   94   2HD   PRO  14          2HD       PRO  14 -16.106   7.074  -3.029
   95    H    GLY  15           H        GLY  15 -13.539   8.957  -0.671
   96   1HA   GLY  15          1HA       GLY  15 -11.094   9.830   0.261
   97   2HA   GLY  15          2HA       GLY  15 -12.501   9.607   1.315
   98    H    HIS  16           H        HIS  16 -12.731   6.757   1.229
   99    HA   HIS  16           HA       HIS  16 -10.475   6.043   2.977
  100   1HB   HIS  16          1HB       HIS  16 -12.898   5.275   3.398
  101   2HB   HIS  16          2HB       HIS  16 -12.725   4.273   1.933
  102    HD1  HIS  16           HD1      HIS  16 -11.491   4.529   5.523
  103    HD2  HIS  16           HD2      HIS  16 -11.248   1.963   2.174
  104    HE1  HIS  16           HE1      HIS  16 -10.418   2.343   6.311
  105    HE2  HIS  16           HE2      HIS  16 -10.274   0.755   4.298
  106    H    LYS  17           H        LYS  17 -11.452   5.312  -0.399
  107    HA   LYS  17           HA       LYS  17  -9.599   3.157  -0.614
  108   1HB   LYS  17          1HB       LYS  17 -11.382   3.518  -2.284
  109   2HB   LYS  17          2HB       LYS  17 -10.709   5.094  -2.682
  110   1HG   LYS  17          1HG       LYS  17 -10.183   3.502  -4.418
  111   2HG   LYS  17          2HG       LYS  17  -8.709   4.089  -3.645
  112   1HD   LYS  17          1HD       LYS  17  -8.597   1.960  -2.312
  113   2HD   LYS  17          2HD       LYS  17 -10.106   1.430  -3.070
  114   1HE   LYS  17          1HE       LYS  17  -8.231   0.355  -4.165
  115   2HE   LYS  17          2HE       LYS  17  -8.971   1.496  -5.300
  116   1HZ   LYS  17          1HZ       LYS  17  -6.558   1.995  -3.691
  117   2HZ   LYS  17          2HZ       LYS  17  -6.581   1.612  -5.294
  118   3HZ   LYS  17          3HZ       LYS  17  -7.220   3.040  -4.780
  119    H    ALA  18           H        ALA  18  -9.320   6.654  -0.594
  120    HA   ALA  18           HA       ALA  18  -6.588   6.789  -1.558
  121   1HB   ALA  18          1HB       ALA  18  -8.139   8.713  -1.669
  122   2HB   ALA  18          2HB       ALA  18  -8.170   8.791   0.104
  123   3HB   ALA  18          3HB       ALA  18  -6.657   9.085  -0.765
  124    H    ARG  19           H        ARG  19  -8.223   6.490   1.687
  125    HA   ARG  19           HA       ARG  19  -5.762   6.816   3.137
  126   1HB   ARG  19          1HB       ARG  19  -7.963   7.245   4.144
  127   2HB   ARG  19          2HB       ARG  19  -8.416   5.553   3.921
  128   1HG   ARG  19          1HG       ARG  19  -7.792   6.038   6.238
  129   2HG   ARG  19          2HG       ARG  19  -6.774   4.789   5.519
  130   1HD   ARG  19          1HD       ARG  19  -4.960   6.431   5.184
  131   2HD   ARG  19          2HD       ARG  19  -5.994   7.721   5.841
  132    HE   ARG  19           HE       ARG  19  -5.950   5.754   7.794
  133   1HH1  ARG  19          1HH2      ARG  19  -3.480   7.695   6.132
  134   2HH1  ARG  19          2HH2      ARG  19  -2.366   7.651   7.473
  135   1HH2  ARG  19          1HH1      ARG  19  -4.483   5.721   9.550
  136   2HH2  ARG  19          2HH1      ARG  19  -2.944   6.535   9.428
  137    H    VAL  20           H        VAL  20  -7.554   4.065   1.877
  138    HA   VAL  20           HA       VAL  20  -6.067   2.052   3.259
  139    HB   VAL  20           HB       VAL  20  -8.557   2.112   2.159
  140   1HG1  VAL  20          1HG1      VAL  20  -7.721   2.169  -0.133
  141   2HG1  VAL  20          2HG1      VAL  20  -7.149   0.500   0.072
  142   3HG1  VAL  20          3HG1      VAL  20  -8.879   0.888   0.253
  143   1HG2  VAL  20          1HG2      VAL  20  -7.709   0.415   3.753
  144   2HG2  VAL  20          2HG2      VAL  20  -8.614  -0.340   2.429
  145   3HG2  VAL  20          3HG2      VAL  20  -6.837  -0.392   2.430
  146    H    LEU  21           H        LEU  21  -5.874   3.589   0.062
  147    HA   LEU  21           HA       LEU  21  -3.792   1.867  -0.943
  148   1HB   LEU  21          1HB       LEU  21  -5.057   3.354  -2.461
  149   2HB   LEU  21          2HB       LEU  21  -4.535   4.761  -1.533
  150    HG   LEU  21           HG       LEU  21  -2.060   4.003  -2.155
  151   1HD1  LEU  21          1HD1      LEU  21  -3.658   2.516  -4.276
  152   2HD1  LEU  21          2HD1      LEU  21  -1.901   2.779  -4.251
  153   3HD1  LEU  21          3HD1      LEU  21  -2.656   1.764  -3.012
  154   1HD2  LEU  21          1HD2      LEU  21  -4.011   5.099  -4.181
  155   2HD2  LEU  21          2HD2      LEU  21  -3.149   6.011  -2.917
  156   3HD2  LEU  21          3HD2      LEU  21  -2.229   5.244  -4.227
  157    H    ALA  22           H        ALA  22  -3.817   5.164   0.575
  158    HA   ALA  22           HA       ALA  22  -1.135   5.654   0.746
  159   1HB   ALA  22          1HB       ALA  22  -2.835   7.281   1.344
  160   2HB   ALA  22          2HB       ALA  22  -3.237   6.367   2.815
  161   3HB   ALA  22          3HB       ALA  22  -1.640   7.119   2.642
  162    H    GLU  23           H        GLU  23  -3.060   3.668   2.983
  163    HA   GLU  23           HA       GLU  23  -1.037   3.168   4.911
  164   1HB   GLU  23          1HB       GLU  23  -3.650   2.783   4.928
  165   2HB   GLU  23          2HB       GLU  23  -3.288   1.275   4.134
  166   1HG   GLU  23          1HG       GLU  23  -3.500   0.882   6.520
  167   2HG   GLU  23          2HG       GLU  23  -1.826   0.593   6.030
  168    HE2  GLU  23           HE2      GLU  23  -2.682   3.923   8.225
  169    H    ALA  24           H        ALA  24  -2.044   1.580   1.958
  170    HA   ALA  24           HA       ALA  24  -0.347  -0.737   2.381
  171   1HB   ALA  24          1HB       ALA  24  -2.540  -0.929   1.215
  172   2HB   ALA  24          2HB       ALA  24  -1.936   0.113  -0.092
  173   3HB   ALA  24          3HB       ALA  24  -1.205  -1.479   0.182
  174    H    MET  25           H        MET  25  -0.026   2.324   0.549
  175    HA   MET  25           HA       MET  25   2.389   1.271  -0.744
  176   1HB   MET  25          1HB       MET  25   2.441   3.357  -1.911
  177   2HB   MET  25          2HB       MET  25   0.906   2.534  -2.123
  178   1HG   MET  25          1HG       MET  25   0.506   4.849  -1.973
  179   2HG   MET  25          2HG       MET  25  -0.167   4.119  -0.581
  180   1HE   MET  25          1HE       MET  25   2.380   6.586  -2.072
  181   2HE   MET  25          2HE       MET  25   3.442   7.003  -0.708
  182   3HE   MET  25          3HE       MET  25   3.553   5.397  -1.455
  183    H    SER  26           H        SER  26   1.880   1.910   2.228
  184    HA   SER  26           HA       SER  26   4.570   3.098   2.688
  185   1HB   SER  26          1HB       SER  26   3.767   3.745   4.930
  186   2HB   SER  26          2HB       SER  26   2.954   4.618   3.620
  187    HG   SER  26           HG       SER  26   1.827   2.301   4.787
  188    H    GLN  27           H        GLN  27   2.214   0.529   3.258
  189    HA   GLN  27           HA       GLN  27   3.843  -0.940   5.131
  190   1HB   GLN  27          1HB       GLN  27   1.270  -0.973   5.003
  191   2HB   GLN  27          2HB       GLN  27   1.414  -1.775   3.458
  192   1HG   GLN  27          1HG       GLN  27   0.922  -3.353   5.268
  193   2HG   GLN  27          2HG       GLN  27   2.423  -3.746   4.433
  194   1HE2  GLN  27          2HE2      GLN  27   4.473  -3.356   5.530
  195   2HE2  GLN  27          1HE2      GLN  27   4.518  -3.240   7.280
  196    H    VAL  28           H        VAL  28   2.972  -1.278   1.659
  197    HA   VAL  28           HA       VAL  28   4.237  -3.836   1.260
  198    HB   VAL  28           HB       VAL  28   3.361  -1.605  -0.610
  199   1HG1  VAL  28          1HG2      VAL  28   4.344  -4.412  -1.293
  200   2HG1  VAL  28          2HG2      VAL  28   3.517  -3.322  -2.424
  201   3HG1  VAL  28          3HG2      VAL  28   5.101  -2.879  -1.779
  202   1HG2  VAL  28          1HG1      VAL  28   1.565  -2.861   0.685
  203   2HG2  VAL  28          2HG1      VAL  28   1.460  -3.039  -1.073
  204   3HG2  VAL  28          3HG1      VAL  28   2.140  -4.348  -0.078
  205    H    THR  29           H        THR  29   5.074  -0.429   0.517
  206    HA   THR  29           HA       THR  29   7.582  -0.594  -0.375
  207    HB   THR  29           HB       THR  29   6.320   1.561   1.397
  208    HG1  THR  29           HG1      THR  29   5.556   0.852  -1.255
  209   1HG2  THR  29          1HG2      THR  29   7.612   1.563  -1.332
  210   2HG2  THR  29          2HG2      THR  29   7.042   2.991  -0.407
  211   3HG2  THR  29          3HG2      THR  29   8.430   2.010   0.215
  212    H    ASN  30           H        ASN  30   6.418  -0.648   2.997
  213    HA   ASN  30           HA       ASN  30   9.025  -0.397   4.215
  214   1HB   ASN  30          1HB       ASN  30   6.736  -0.105   5.355
  215   2HB   ASN  30          2HB       ASN  30   6.710  -1.847   5.501
  216   1HD2  ASN  30          2HD2      ASN  30   8.583  -2.911   6.634
  217   2HD2  ASN  30          1HD2      ASN  30   9.356  -2.018   7.926
  218    H    SER  31           H        SER  31   6.888  -3.060   3.326
  219    HA   SER  31           HA       SER  31   8.469  -5.216   4.350
  220   1HB   SER  31          1HB       SER  31   6.045  -5.383   3.714
  221   2HB   SER  31          2HB       SER  31   6.521  -5.333   2.004
  222    HG   SER  31           HG       SER  31   6.303  -7.462   2.792
  223    H    ALA  32           H        ALA  32   8.585  -3.335   1.397
  224    HA   ALA  32           HA       ALA  32  10.713  -4.986   0.182
  225   1HB   ALA  32          1HB       ALA  32   9.075  -3.952  -1.239
  226   2HB   ALA  32          2HB       ALA  32   9.585  -2.332  -0.682
  227   3HB   ALA  32          3HB       ALA  32  10.721  -3.377  -1.580
  228    H    THR  33           H        THR  33  10.483  -2.083   2.262
  229    HA   THR  33           HA       THR  33  13.189  -1.230   1.874
  230    HB   THR  33           HB       THR  33  11.015  -0.284   3.327
  231    HG1  THR  33           HG1      THR  33  13.714   0.511   3.460
  232   1HG2  THR  33          1HG2      THR  33  13.215  -0.853   5.369
  233   2HG2  THR  33          2HG2      THR  33  11.734   0.084   5.616
  234   3HG2  THR  33          3HG2      THR  33  11.641  -1.654   5.379
  235    H    ILE  34           H        ILE  34  11.616  -3.733   3.799
  236    HA   ILE  34           HA       ILE  34  13.835  -4.442   5.436
  237    HB   ILE  34           HB       ILE  34  11.382  -5.924   4.484
  238   1HG1  ILE  34          1HG1      ILE  34  12.334  -4.680   7.108
  239   2HG1  ILE  34          2HG1      ILE  34  10.938  -4.212   6.126
  240   1HG2  ILE  34          1HG2      ILE  34  13.220  -7.594   4.754
  241   2HG2  ILE  34          2HG2      ILE  34  13.501  -6.911   6.383
  242   3HG2  ILE  34          3HG2      ILE  34  11.989  -7.770   5.970
  243   1HD1  ILE  34          1HD1      ILE  34  10.007  -6.547   6.586
  244   2HD1  ILE  34          2HD1      ILE  34  11.315  -6.724   7.789
  245   3HD1  ILE  34          3HD1      ILE  34  10.109  -5.445   7.986
  246    H    MET  35           H        MET  35  12.916  -5.190   2.084
  247    HA   MET  35           HA       MET  35  14.788  -7.373   1.664
  248   1HB   MET  35          1HB       MET  35  13.516  -5.561  -0.391
  249   2HB   MET  35          2HB       MET  35  14.302  -7.107  -0.662
  250   1HG   MET  35          1HG       MET  35  11.828  -6.638   1.036
  251   2HG   MET  35          2HG       MET  35  11.890  -7.247  -0.585
  252   1HE   MET  35          1HE       MET  35  12.892  -9.570  -1.264
  253   2HE   MET  35          2HE       MET  35  14.413  -9.431  -0.346
  254   3HE   MET  35          3HE       MET  35  13.366 -10.846  -0.120
  255    H    MET  36           H        MET  36  14.853  -3.840   1.140
  256    HA   MET  36           HA       MET  36  17.389  -3.659  -0.205
  257   1HB   MET  36          1HB       MET  36  15.908  -1.664   1.576
  258   2HB   MET  36          2HB       MET  36  17.288  -1.273   0.553
  259   1HG   MET  36          1HG       MET  36  14.644  -2.370  -0.483
  260   2HG   MET  36          2HG       MET  36  15.059  -0.670  -0.353
  261   1HE   MET  36          1HE       MET  36  14.295  -0.496  -2.915
  262   2HE   MET  36          2HE       MET  36  15.010  -1.471  -4.221
  263   3HE   MET  36          3HE       MET  36  14.010  -2.252  -2.975
  264    H    GLN  37           H        GLN  37  16.333  -3.301   3.136
  265    HA   GLN  37           HA       GLN  37  18.780  -3.001   4.491
  266   1HB   GLN  37          1HB       GLN  37  16.645  -2.348   5.379
  267   2HB   GLN  37          2HB       GLN  37  15.962  -3.947   5.106
  268   1HG   GLN  37          1HG       GLN  37  17.385  -4.915   6.775
  269   2HG   GLN  37          2HG       GLN  37  18.017  -3.271   7.146
  270   1HE2  GLN  37          2HE2      GLN  37  16.099  -1.615   7.555
  271   2HE2  GLN  37          1HE2      GLN  37  14.799  -2.203   8.571
  272    H    ARG  38           H        ARG  38  17.022  -5.897   3.427
  273    HA   ARG  38           HA       ARG  38  18.924  -7.810   4.587
  274   1HB   ARG  38          1HB       ARG  38  16.336  -7.782   3.268
  275   2HB   ARG  38          2HB       ARG  38  17.186  -9.117   2.699
  276   1HG   ARG  38          1HG       ARG  38  15.950  -9.875   4.618
  277   2HG   ARG  38          2HG       ARG  38  17.656  -9.845   5.084
  278   1HD   ARG  38          1HD       ARG  38  17.239  -7.592   6.171
  279   2HD   ARG  38          2HD       ARG  38  15.533  -7.772   5.797
  280    HE   ARG  38           HE       ARG  38  17.187  -9.296   7.732
  281   1HH1  ARG  38          1HH1      ARG  38  13.906  -8.922   6.399
  282   2HH1  ARG  38          2HH1      ARG  38  13.129  -9.488   7.855
  283   1HH2  ARG  38          1HH2      ARG  38  16.158 -10.127   9.557
  284   2HH2  ARG  38          2HH2      ARG  38  14.419 -10.250   9.618
  285    H    GLY  39           H        GLY  39  20.140  -6.046   3.251
  286   1HA   GLY  39          1HA       GLY  39  22.241  -7.138   1.979
  287   2HA   GLY  39          2HA       GLY  39  21.122  -6.932   0.614
  288    H    ASN  40           H        ASN  40  21.659  -4.830   3.530
  289    HA   ASN  40           HA       ASN  40  21.351  -2.438   2.182
  290   1HB   ASN  40          1HB       ASN  40  22.296  -1.383   4.156
  291   2HB   ASN  40          2HB       ASN  40  21.184  -2.681   4.594
  292   1HD2  ASN  40          2HD2      ASN  40  24.388  -1.447   4.985
  293   2HD2  ASN  40          1HD2      ASN  40  25.052  -2.812   5.855
  294    H    PHE  41           H        PHE  41  24.463  -4.081   2.973
  295    HA   PHE  41           HA       PHE  41  26.229  -2.160   2.025
  296   1HB   PHE  41          1HB       PHE  41  26.474  -5.195   1.924
  297   2HB   PHE  41          2HB       PHE  41  27.798  -4.047   1.830
  298    HD1  PHE  41           HD1      PHE  41  25.663  -5.956   4.046
  299    HD2  PHE  41           HD2      PHE  41  28.181  -2.457   3.847
  300    HE1  PHE  41           HE1      PHE  41  25.802  -5.911   6.517
  301    HE2  PHE  41           HE2      PHE  41  28.319  -2.423   6.324
  302    HZ   PHE  41           HZ       PHE  41  27.136  -4.152   7.662
  303    H    ARG  42           H        ARG  42  24.759  -4.884   0.257
  304    HA   ARG  42           HA       ARG  42  26.004  -4.469  -2.240
  305   1HB   ARG  42          1HB       ARG  42  24.841  -6.513  -1.502
  306   2HB   ARG  42          2HB       ARG  42  23.313  -5.687  -1.517
  307   1HG   ARG  42          1HG       ARG  42  23.546  -7.083  -3.514
  308   2HG   ARG  42          2HG       ARG  42  23.311  -5.381  -3.895
  309   1HD   ARG  42          1HD       ARG  42  25.860  -5.219  -4.258
  310   2HD   ARG  42          2HD       ARG  42  25.910  -6.966  -4.023
  311    HE   ARG  42           HE       ARG  42  25.058  -7.257  -6.135
  312   1HH1  ARG  42          1HH2      ARG  42  24.519  -3.851  -5.195
  313   2HH1  ARG  42          2HH2      ARG  42  24.015  -3.379  -6.795
  314   1HH2  ARG  42          1HH1      ARG  42  24.381  -6.595  -8.213
  315   2HH2  ARG  42          2HH1      ARG  42  23.929  -4.936  -8.508
  316    H    ASN  43           H        ASN  43  22.935  -3.447  -0.901
  317    HA   ASN  43           HA       ASN  43  21.732  -2.381  -3.246
  318   1HB   ASN  43          1HB       ASN  43  20.458  -3.090  -1.284
  319   2HB   ASN  43          2HB       ASN  43  21.225  -1.846  -0.292
  320   1HD2  ASN  43          2HD2      ASN  43  19.823  -0.206   0.120
  321   2HD2  ASN  43          1HD2      ASN  43  18.699   0.482  -1.029
  322    H    GLN  44           H        GLN  44  23.535  -0.898  -0.579
  323    HA   GLN  44           HA       GLN  44  23.162   1.677  -1.063
  324   1HB   GLN  44          1HB       GLN  44  25.428   0.114   0.117
  325   2HB   GLN  44          2HB       GLN  44  25.581   1.867   0.058
  326   1HG   GLN  44          1HG       GLN  44  22.950   0.736   1.052
  327   2HG   GLN  44          2HG       GLN  44  24.387   0.583   2.040
  328   1HE2  GLN  44          2HE2      GLN  44  23.358   2.050   3.615
  329   2HE2  GLN  44          1HE2      GLN  44  23.285   3.773   3.308
  330    H    ARG  45           H        ARG  45  24.720   3.346  -1.562
  331    HA   ARG  45           HA       ARG  45  25.600   4.681  -3.174
  332   1HB   ARG  45          1HB       ARG  45  27.293   2.287  -3.986
  333   2HB   ARG  45          2HB       ARG  45  27.642   3.996  -4.243
  334   1HG   ARG  45          1HG       ARG  45  27.612   2.472  -1.606
  335   2HG   ARG  45          2HG       ARG  45  28.997   3.178  -2.433
  336   1HD   ARG  45          1HD       ARG  45  26.714   4.664  -1.063
  337   2HD   ARG  45          2HD       ARG  45  28.386   4.579  -0.533
  338    HE   ARG  45           HE       ARG  45  27.224   6.315  -2.572
  339   1HH1  ARG  45          1HH2      ARG  45  30.295   4.857  -1.529
  340   2HH1  ARG  45          2HH2      ARG  45  31.261   6.104  -2.276
  341   1HH2  ARG  45          1HH1      ARG  45  28.450   7.880  -3.509
  342   2HH2  ARG  45          2HH1      ARG  45  30.204   7.863  -3.430
  343    H    LYS  46           H        LYS  46  23.213   3.997  -3.838
  344    HA   LYS  46           HA       LYS  46  23.067   2.844  -6.542
  345   1HB   LYS  46          1HB       LYS  46  21.694   2.090  -4.553
  346   2HB   LYS  46          2HB       LYS  46  20.861   3.639  -4.612
  347   1HG   LYS  46          1HG       LYS  46  19.892   3.137  -6.759
  348   2HG   LYS  46          2HG       LYS  46  21.040   1.821  -7.049
  349   1HD   LYS  46          1HD       LYS  46  18.852   0.912  -6.514
  350   2HD   LYS  46          2HD       LYS  46  20.046   0.461  -5.287
  351   1HE   LYS  46          1HE       LYS  46  19.173   2.215  -3.769
  352   2HE   LYS  46          2HE       LYS  46  18.015   2.727  -5.015
  353   1HZ   LYS  46          1HZ       LYS  46  17.032   0.546  -4.874
  354   2HZ   LYS  46          2HZ       LYS  46  18.119   0.090  -3.721
  355   3HZ   LYS  46          3HZ       LYS  46  17.027   1.280  -3.398
  356    H    ILE  47           H        ILE  47  24.409   4.980  -6.543
  357    HA   ILE  47           HA       ILE  47  24.756   6.962  -7.605
  358    HB   ILE  47           HB       ILE  47  21.787   7.200  -8.230
  359   1HG1  ILE  47          1HG1      ILE  47  22.453   5.073  -9.173
  360   2HG1  ILE  47          2HG1      ILE  47  22.285   6.269 -10.447
  361   1HG2  ILE  47          1HG2      ILE  47  24.275   8.458  -9.453
  362   2HG2  ILE  47          2HG2      ILE  47  22.630   8.594 -10.106
  363   3HG2  ILE  47          3HG2      ILE  47  23.014   9.279  -8.526
  364   1HD1  ILE  47          1HD1      ILE  47  24.761   6.518 -10.554
  365   2HD1  ILE  47          2HD1      ILE  47  24.930   5.304  -9.263
  366   3HD1  ILE  47          3HD1      ILE  47  24.236   4.851 -10.825
  367    H    VAL  48           H        VAL  48  25.073   6.971  -5.194
  368    HA   VAL  48           HA       VAL  48  23.810   9.359  -4.005
  369    HB   VAL  48           HB       VAL  48  24.148   6.664  -2.593
  370   1HG1  VAL  48          1HG1      VAL  48  23.109   9.343  -1.570
  371   2HG1  VAL  48          2HG1      VAL  48  23.070   7.812  -0.671
  372   3HG1  VAL  48          3HG1      VAL  48  24.622   8.549  -1.080
  373   1HG2  VAL  48          1HG2      VAL  48  21.617   8.177  -3.369
  374   2HG2  VAL  48          2HG2      VAL  48  22.138   6.594  -3.989
  375   3HG2  VAL  48          3HG2      VAL  48  21.673   6.763  -2.297
  Start of MODEL   14
    1   1H    LEU   1          1H        LEU   1 -18.730   2.849  10.612
    2   2H    LEU   1          2H        LEU   1 -18.646   2.122  12.126
    3    HA   LEU   1           HA       LEU   1 -16.556   1.118  11.521
    4   1HB   LEU   1          1HB       LEU   1 -18.717  -0.100  11.392
    5   2HB   LEU   1          2HB       LEU   1 -18.919   0.446   9.724
    6    HG   LEU   1           HG       LEU   1 -16.891  -0.858   9.065
    7   1HD1  LEU   1          1HD1      LEU   1 -16.955  -1.819  11.962
    8   2HD1  LEU   1          2HD1      LEU   1 -16.005  -2.558  10.658
    9   3HD1  LEU   1          3HD1      LEU   1 -15.634  -0.917  11.186
   10   1HD2  LEU   1          1HD2      LEU   1 -19.145  -1.827   8.884
   11   2HD2  LEU   1          2HD2      LEU   1 -17.938  -3.067   9.269
   12   3HD2  LEU   1          3HD2      LEU   1 -19.016  -2.456  10.541
   13    H    GLU   2           H        GLU   2 -14.930   0.751   9.980
   14    HA   GLU   2           HA       GLU   2 -14.969   2.372   7.476
   15   1HB   GLU   2          1HB       GLU   2 -12.855   1.836   9.601
   16   2HB   GLU   2          2HB       GLU   2 -12.400   2.170   7.938
   17   1HG   GLU   2          1HG       GLU   2 -12.327   4.225   9.221
   18   2HG   GLU   2          2HG       GLU   2 -13.561   4.316   7.960
   19    HE2  GLU   2           HE2      GLU   2 -15.802   5.453  10.320
   20    H    GLU   3           H        GLU   3 -13.503   1.402   5.776
   21    HA   GLU   3           HA       GLU   3 -14.275  -1.109   5.028
   22   1HB   GLU   3          1HB       GLU   3 -12.191   0.913   4.285
   23   2HB   GLU   3          2HB       GLU   3 -11.910  -0.686   3.637
   24   1HG   GLU   3          1HG       GLU   3 -14.547   0.757   3.353
   25   2HG   GLU   3          2HG       GLU   3 -13.157   0.776   2.269
   26    HE2  GLU   3           HE2      GLU   3 -14.696  -1.701   0.458
   27    H    MET   4           H        MET   4 -13.041  -2.389   4.225
   28    HA   MET   4           HA       MET   4 -10.683  -3.602   5.118
   29   1HB   MET   4          1HB       MET   4 -12.143  -4.193   7.098
   30   2HB   MET   4          2HB       MET   4 -12.906  -5.384   6.020
   31   1HG   MET   4          1HG       MET   4 -10.658  -6.401   5.643
   32   2HG   MET   4          2HG       MET   4  -9.962  -5.206   6.745
   33   1HE   MET   4          1HE       MET   4  -8.816  -7.168   8.077
   34   2HE   MET   4          2HE       MET   4  -9.699  -8.567   8.730
   35   3HE   MET   4          3HE       MET   4  -9.549  -8.356   6.971
   36    H    MET   5           H        MET   5 -12.003  -2.770   2.685
   37    HA   MET   5           HA       MET   5 -13.136  -3.174   0.955
   38   1HB   MET   5          1HB       MET   5 -10.472  -4.380   1.173
   39   2HB   MET   5          2HB       MET   5 -11.395  -4.995  -0.221
   40   1HG   MET   5          1HG       MET   5 -11.823  -2.543  -0.808
   41   2HG   MET   5          2HG       MET   5 -10.674  -2.131   0.468
   42   1HE   MET   5          1HE       MET   5  -8.114  -2.662   0.374
   43   2HE   MET   5          2HE       MET   5  -8.363  -4.391   0.025
   44   3HE   MET   5          3HE       MET   5  -7.290  -3.425  -1.007
   45    H    THR   6           H        THR   6 -14.227  -4.195   2.947
   46    HA   THR   6           HA       THR   6 -16.068  -6.218   2.076
   47    HB   THR   6           HB       THR   6 -14.035  -7.020   4.162
   48    HG1  THR   6           HG1      THR   6 -13.371  -7.412   1.980
   49   1HG2  THR   6          1HG2      THR   6 -15.325  -9.175   4.204
   50   2HG2  THR   6          2HG2      THR   6 -16.289  -7.811   4.792
   51   3HG2  THR   6          3HG2      THR   6 -16.542  -8.435   3.145
   52    H    ALA   7           H        ALA   7 -14.325  -4.671   4.850
   53    HA   ALA   7           HA       ALA   7 -16.605  -4.900   6.560
   54   1HB   ALA   7          1HB       ALA   7 -14.280  -3.003   6.745
   55   2HB   ALA   7          2HB       ALA   7 -15.446  -3.287   8.030
   56   3HB   ALA   7          3HB       ALA   7 -14.399  -4.605   7.487
   57    H    CYS   8           H        CYS   8 -15.843  -2.506   4.069
   58    HA   CYS   8           HA       CYS   8 -18.586  -1.476   4.355
   59   1HB   CYS   8          1HB       CYS   8 -16.175   0.367   4.690
   60   2HB   CYS   8          2HB       CYS   8 -17.780   0.919   4.196
   61    HG   CYS   8           HG       CYS   8 -18.712  -0.656   6.403
   62    H    GLN   9           H        GLN   9 -17.960  -3.164   2.597
   63    HA   GLN   9           HA       GLN   9 -16.545  -2.351   0.292
   64   1HB   GLN   9          1HB       GLN   9 -17.120  -4.657   1.108
   65   2HB   GLN   9          2HB       GLN   9 -18.731  -4.461   0.423
   66   1HG   GLN   9          1HG       GLN   9 -17.688  -4.084  -1.814
   67   2HG   GLN   9          2HG       GLN   9 -16.077  -4.269  -1.093
   68   1HE2  GLN   9          2HE2      GLN   9 -15.606  -6.432   0.028
   69   2HE2  GLN   9          1HE2      GLN   9 -16.351  -7.847  -0.675
   70    H    GLY  10           H        GLY  10 -17.112  -0.595  -0.855
   71   1HA   GLY  10          1HA       GLY  10 -18.288   0.799  -2.233
   72   2HA   GLY  10          2HA       GLY  10 -19.425  -0.527  -2.490
   73    H    VAL  11           H        VAL  11 -18.702   1.085   0.661
   74    HA   VAL  11           HA       VAL  11 -21.461   1.641   1.167
   75    HB   VAL  11           HB       VAL  11 -19.818   1.201   2.898
   76   1HG1  VAL  11          1HG2      VAL  11 -18.027   2.645   2.012
   77   2HG1  VAL  11          2HG2      VAL  11 -19.018   4.086   2.388
   78   3HG1  VAL  11          3HG2      VAL  11 -18.453   3.037   3.702
   79   1HG2  VAL  11          1HG1      VAL  11 -22.034   2.171   3.396
   80   2HG2  VAL  11          2HG1      VAL  11 -20.789   2.797   4.491
   81   3HG2  VAL  11          3HG1      VAL  11 -21.383   3.807   3.158
   82    H    GLY  12           H        GLY  12 -18.750   3.507  -0.075
   83   1HA   GLY  12          1HA       GLY  12 -20.281   5.979  -0.479
   84   2HA   GLY  12          2HA       GLY  12 -18.622   5.640  -0.995
   85    H    GLY  13           H        GLY  13 -18.775   3.415  -2.519
   86   1HA   GLY  13          1HA       GLY  13 -20.665   2.707  -4.230
   87   2HA   GLY  13          2HA       GLY  13 -20.230   4.292  -4.914
   88    HA   PRO  14           HA       PRO  14 -17.391   1.068  -6.900
   89   1HB   PRO  14          1HB       PRO  14 -18.101   2.948  -9.188
   90   2HB   PRO  14          2HB       PRO  14 -17.937   1.189  -9.192
   91   1HG   PRO  14          1HG       PRO  14 -20.400   2.333  -9.218
   92   2HG   PRO  14          2HG       PRO  14 -20.046   0.951  -8.135
   93   1HD   PRO  14          1HD       PRO  14 -20.055   3.860  -7.370
   94   2HD   PRO  14          2HD       PRO  14 -20.887   2.481  -6.591
   95    H    GLY  15           H        GLY  15 -17.846   4.423  -7.660
   96   1HA   GLY  15          1HA       GLY  15 -15.298   5.400  -8.256
   97   2HA   GLY  15          2HA       GLY  15 -16.525   6.352  -7.401
   98    H    HIS  16           H        HIS  16 -16.714   4.955  -4.985
   99    HA   HIS  16           HA       HIS  16 -14.226   5.742  -3.655
  100   1HB   HIS  16          1HB       HIS  16 -15.828   6.278  -2.131
  101   2HB   HIS  16          2HB       HIS  16 -17.048   5.296  -2.927
  102    HD1  HIS  16           HD1      HIS  16 -16.892   2.587  -2.367
  103    HD2  HIS  16           HD2      HIS  16 -15.100   5.323   0.304
  104    HE1  HIS  16           HE1      HIS  16 -16.527   1.364  -0.136
  105    HE2  HIS  16           HE2      HIS  16 -15.471   3.014   1.514
  106    H    LYS  17           H        LYS  17 -15.702   2.710  -4.690
  107    HA   LYS  17           HA       LYS  17 -13.940   0.969  -3.201
  108   1HB   LYS  17          1HB       LYS  17 -15.785   0.730  -5.504
  109   2HB   LYS  17          2HB       LYS  17 -14.541  -0.472  -5.326
  110   1HG   LYS  17          1HG       LYS  17 -16.105   0.226  -2.864
  111   2HG   LYS  17          2HG       LYS  17 -16.954  -0.626  -4.152
  112   1HD   LYS  17          1HD       LYS  17 -16.149  -2.202  -2.560
  113   2HD   LYS  17          2HD       LYS  17 -15.352  -2.474  -4.104
  114   1HE   LYS  17          1HE       LYS  17 -14.036  -0.896  -1.837
  115   2HE   LYS  17          2HE       LYS  17 -13.979  -2.658  -1.931
  116   1HZ   LYS  17          1HZ       LYS  17 -12.956  -2.486  -4.077
  117   2HZ   LYS  17          2HZ       LYS  17 -12.905  -0.843  -3.967
  118   3HZ   LYS  17          3HZ       LYS  17 -12.055  -1.761  -2.908
  119    H    ALA  18           H        ALA  18 -13.670   2.840  -6.166
  120    HA   ALA  18           HA       ALA  18 -11.105   1.751  -6.961
  121   1HB   ALA  18          1HB       ALA  18 -12.692   2.728  -8.578
  122   2HB   ALA  18          2HB       ALA  18 -12.513   4.314  -7.800
  123   3HB   ALA  18          3HB       ALA  18 -11.120   3.559  -8.592
  124    H    ARG  19           H        ARG  19 -12.272   4.552  -4.951
  125    HA   ARG  19           HA       ARG  19  -9.678   5.775  -4.782
  126   1HB   ARG  19          1HB       ARG  19 -11.882   6.884  -4.325
  127   2HB   ARG  19          2HB       ARG  19 -12.012   5.917  -2.846
  128   1HG   ARG  19          1HG       ARG  19  -9.833   6.965  -2.057
  129   2HG   ARG  19          2HG       ARG  19  -9.830   7.940  -3.536
  130   1HD   ARG  19          1HD       ARG  19 -10.721   9.282  -1.752
  131   2HD   ARG  19          2HD       ARG  19 -12.058   8.886  -2.852
  132    HE   ARG  19           HE       ARG  19 -11.861   6.934  -0.754
  133   1HH1  ARG  19          1HH2      ARG  19 -12.880  10.293  -1.283
  134   2HH1  ARG  19          2HH2      ARG  19 -13.976  10.309   0.074
  135   1HH2  ARG  19          1HH1      ARG  19 -13.274   6.978   1.045
  136   2HH2  ARG  19          2HH1      ARG  19 -14.209   8.408   1.398
  137    H    VAL  20           H        VAL  20 -11.434   3.392  -2.864
  138    HA   VAL  20           HA       VAL  20  -9.544   3.183  -0.700
  139    HB   VAL  20           HB       VAL  20 -11.834   1.454  -1.672
  140   1HG1  VAL  20          1HG2      VAL  20 -10.114   1.049   0.813
  141   2HG1  VAL  20          2HG2      VAL  20 -11.644   0.213   0.473
  142   3HG1  VAL  20          3HG2      VAL  20 -10.247  -0.058  -0.571
  143   1HG2  VAL  20          1HG1      VAL  20 -12.361   3.689  -0.572
  144   2HG2  VAL  20          2HG1      VAL  20 -12.987   2.281   0.303
  145   3HG2  VAL  20          3HG1      VAL  20 -11.522   3.108   0.873
  146    H    LEU  21           H        LEU  21 -10.111   1.408  -3.736
  147    HA   LEU  21           HA       LEU  21  -8.058  -0.514  -3.328
  148   1HB   LEU  21          1HB       LEU  21  -9.719  -0.753  -5.161
  149   2HB   LEU  21          2HB       LEU  21  -9.073   0.697  -5.944
  150    HG   LEU  21           HG       LEU  21  -6.817  -0.480  -6.162
  151   1HD1  LEU  21          1HD2      LEU  21  -8.471  -2.837  -5.133
  152   2HD1  LEU  21          2HD2      LEU  21  -6.879  -2.977  -5.911
  153   3HD1  LEU  21          3HD2      LEU  21  -7.028  -2.144  -4.362
  154   1HD2  LEU  21          1HD1      LEU  21  -8.417  -0.398  -8.023
  155   2HD2  LEU  21          2HD1      LEU  21  -7.513  -1.923  -8.002
  156   3HD2  LEU  21          3HD1      LEU  21  -9.198  -1.885  -7.431
  157    H    ALA  22           H        ALA  22  -7.974   2.659  -5.095
  158    HA   ALA  22           HA       ALA  22  -5.285   2.674  -5.770
  159   1HB   ALA  22          1HB       ALA  22  -6.905   4.340  -6.544
  160   2HB   ALA  22          2HB       ALA  22  -6.998   5.041  -4.914
  161   3HB   ALA  22          3HB       ALA  22  -5.481   5.123  -5.832
  162    H    GLU  23           H        GLU  23  -6.764   3.550  -2.633
  163    HA   GLU  23           HA       GLU  23  -4.441   4.612  -1.374
  164   1HB   GLU  23          1HB       GLU  23  -6.947   4.720  -0.712
  165   2HB   GLU  23          2HB       GLU  23  -6.706   3.129  -0.006
  166   1HG   GLU  23          1HG       GLU  23  -4.887   4.014   1.428
  167   2HG   GLU  23          2HG       GLU  23  -5.132   5.628   0.733
  168    HE2  GLU  23           HE2      GLU  23  -6.938   5.595   3.880
  169    H    ALA  24           H        ALA  24  -5.921   1.407  -1.517
  170    HA   ALA  24           HA       ALA  24  -4.012   0.163   0.277
  171   1HB   ALA  24          1HB       ALA  24  -6.324  -0.739  -0.018
  172   2HB   ALA  24          2HB       ALA  24  -5.946  -1.133  -1.713
  173   3HB   ALA  24          3HB       ALA  24  -5.090  -1.960  -0.401
  174    H    MET  25           H        MET  25  -4.254   0.511  -3.236
  175    HA   MET  25           HA       MET  25  -2.268  -1.431  -3.960
  176   1HB   MET  25          1HB       MET  25  -3.481   1.030  -5.275
  177   2HB   MET  25          2HB       MET  25  -2.239   0.076  -6.073
  178   1HG   MET  25          1HG       MET  25  -4.812  -1.154  -5.038
  179   2HG   MET  25          2HG       MET  25  -4.615  -0.482  -6.646
  180   1HE   MET  25          1HE       MET  25  -3.362  -1.564  -8.565
  181   2HE   MET  25          2HE       MET  25  -1.791  -1.490  -7.727
  182   3HE   MET  25          3HE       MET  25  -2.341  -3.015  -8.449
  183    H    SER  26           H        SER  26  -2.271   2.101  -3.367
  184    HA   SER  26           HA       SER  26   0.512   2.522  -3.650
  185   1HB   SER  26          1HB       SER  26  -1.491   3.978  -1.878
  186   2HB   SER  26          2HB       SER  26   0.145   4.542  -2.267
  187    HG   SER  26           HG       SER  26  -0.474   4.469  -4.487
  188    H    GLN  27           H        GLN  27  -1.377   1.343  -0.877
  189    HA   GLN  27           HA       GLN  27   0.835   1.587   0.952
  190   1HB   GLN  27          1HB       GLN  27  -1.673   1.696   1.547
  191   2HB   GLN  27          2HB       GLN  27  -1.770  -0.016   1.193
  192   1HG   GLN  27          1HG       GLN  27  -1.609   0.419   3.605
  193   2HG   GLN  27          2HG       GLN  27  -0.295  -0.600   3.025
  194   1HE2  GLN  27          2HE2      GLN  27   1.868   0.295   2.899
  195   2HE2  GLN  27          1HE2      GLN  27   2.291   1.728   3.822
  196    H    VAL  28           H        VAL  28  -0.553  -1.047  -0.940
  197    HA   VAL  28           HA       VAL  28   0.840  -3.240   0.324
  198    HB   VAL  28           HB       VAL  28  -0.644  -2.883  -2.293
  199   1HG1  VAL  28          1HG2      VAL  28   0.497  -5.445  -1.103
  200   2HG1  VAL  28          2HG2      VAL  28  -0.690  -5.380  -2.423
  201   3HG1  VAL  28          3HG2      VAL  28   0.928  -4.712  -2.664
  202   1HG2  VAL  28          1HG1      VAL  28  -1.856  -2.869   0.059
  203   2HG2  VAL  28          2HG1      VAL  28  -2.493  -3.871  -1.254
  204   3HG2  VAL  28          3HG1      VAL  28  -1.518  -4.592   0.047
  205    H    THR  29           H        THR  29   1.180  -1.410  -2.709
  206    HA   THR  29           HA       THR  29   3.700  -2.529  -3.505
  207    HB   THR  29           HB       THR  29   1.875  -1.126  -4.710
  208    HG1  THR  29           HG1      THR  29   4.642  -1.135  -5.356
  209   1HG2  THR  29          1HG2      THR  29   4.017   0.934  -4.276
  210   2HG2  THR  29          2HG2      THR  29   2.602   1.030  -5.366
  211   3HG2  THR  29          3HG2      THR  29   2.357   0.945  -3.606
  212    H    ASN  30           H        ASN  30   2.846   0.131  -1.379
  213    HA   ASN  30           HA       ASN  30   5.530   1.122  -0.994
  214   1HB   ASN  30          1HB       ASN  30   3.548   2.450  -0.242
  215   2HB   ASN  30          2HB       ASN  30   3.242   1.182   0.929
  216   1HD2  ASN  30          2HD2      ASN  30   4.424   1.124   2.871
  217   2HD2  ASN  30          1HD2      ASN  30   5.617   2.338   3.279
  218    H    SER  31           H        SER  31   3.565  -1.411   0.518
  219    HA   SER  31           HA       SER  31   5.371  -2.038   2.668
  220   1HB   SER  31          1HB       SER  31   2.971  -2.749   2.594
  221   2HB   SER  31          2HB       SER  31   3.395  -3.942   1.347
  222    HG   SER  31           HG       SER  31   3.446  -4.814   3.450
  223    H    ALA  32           H        ALA  32   5.113  -3.001  -0.748
  224    HA   ALA  32           HA       ALA  32   7.334  -4.843  -0.472
  225   1HB   ALA  32          1HB       ALA  32   5.665  -5.327  -2.154
  226   2HB   ALA  32          2HB       ALA  32   6.080  -3.821  -3.028
  227   3HB   ALA  32          3HB       ALA  32   7.274  -5.128  -2.873
  228    H    THR  33           H        THR  33   6.955  -1.376  -1.233
  229    HA   THR  33           HA       THR  33   9.552  -1.037  -2.398
  230    HB   THR  33           HB       THR  33   7.414   0.635  -1.910
  231    HG1  THR  33           HG1      THR  33   8.746   2.153  -2.915
  232   1HG2  THR  33          1HG2      THR  33   9.724   1.778  -0.269
  233   2HG2  THR  33          2HG2      THR  33   8.182   2.565  -0.649
  234   3HG2  THR  33          3HG2      THR  33   8.222   1.196   0.447
  235    H    ILE  34           H        ILE  34   8.303  -1.349   0.884
  236    HA   ILE  34           HA       ILE  34  10.758  -0.739   2.217
  237    HB   ILE  34           HB       ILE  34   8.185  -2.050   3.087
  238   1HG1  ILE  34          1HG1      ILE  34   9.669   0.568   3.659
  239   2HG1  ILE  34          2HG1      ILE  34   8.168   0.365   2.744
  240   1HG2  ILE  34          1HG2      ILE  34  10.746  -1.652   4.622
  241   2HG2  ILE  34          2HG2      ILE  34   9.204  -2.059   5.407
  242   3HG2  ILE  34          3HG2      ILE  34   9.962  -3.213   4.330
  243   1HD1  ILE  34          1HD1      ILE  34   7.146  -0.570   4.880
  244   2HD1  ILE  34          2HD1      ILE  34   8.612   0.021   5.716
  245   3HD1  ILE  34          3HD1      ILE  34   7.559   1.167   4.872
  246    H    MET  35           H        MET  35   9.382  -3.723   0.759
  247    HA   MET  35           HA       MET  35  11.465  -5.382   2.011
  248   1HB   MET  35          1HB       MET  35  10.559  -7.240   1.146
  249   2HB   MET  35          2HB       MET  35   9.164  -6.181   1.452
  250   1HG   MET  35          1HG       MET  35   9.102  -5.606  -0.774
  251   2HG   MET  35          2HG       MET  35  10.459  -6.398  -1.283
  252   1HE   MET  35          1HE       MET  35   6.902  -6.987   0.317
  253   2HE   MET  35          2HE       MET  35   6.668  -8.728   0.061
  254   3HE   MET  35          3HE       MET  35   7.872  -8.166   1.236
  255    H    MET  36           H        MET  36  11.188  -3.569  -1.012
  256    HA   MET  36           HA       MET  36  13.524  -4.742  -2.257
  257   1HB   MET  36          1HB       MET  36  12.071  -2.076  -2.561
  258   2HB   MET  36          2HB       MET  36  13.433  -2.558  -3.573
  259   1HG   MET  36          1HG       MET  36  10.864  -4.173  -3.285
  260   2HG   MET  36          2HG       MET  36  11.129  -2.949  -4.504
  261   1HE   MET  36          1HE       MET  36  12.823  -3.139  -6.444
  262   2HE   MET  36          2HE       MET  36  14.251  -3.579  -5.473
  263   3HE   MET  36          3HE       MET  36  13.770  -4.588  -6.849
  264    H    GLN  37           H        GLN  37  12.865  -1.739  -0.500
  265    HA   GLN  37           HA       GLN  37  15.331  -0.603  -0.109
  266   1HB   GLN  37          1HB       GLN  37  13.154   0.397   0.363
  267   2HB   GLN  37          2HB       GLN  37  12.808  -0.871   1.546
  268   1HG   GLN  37          1HG       GLN  37  14.773  -0.010   2.847
  269   2HG   GLN  37          2HG       GLN  37  14.655   1.423   1.762
  270   1HE2  GLN  37          2HE2      GLN  37  12.332   2.379   1.673
  271   2HE2  GLN  37          1HE2      GLN  37  11.428   2.420   3.170
  272    H    ARG  38           H        ARG  38  13.708  -3.192   1.849
  273    HA   ARG  38           HA       ARG  38  15.868  -3.572   3.697
  274   1HB   ARG  38          1HB       ARG  38  13.170  -4.585   3.200
  275   2HB   ARG  38          2HB       ARG  38  14.233  -5.849   3.433
  276   1HG   ARG  38          1HG       ARG  38  13.288  -5.201   5.572
  277   2HG   ARG  38          2HG       ARG  38  14.984  -4.694   5.632
  278   1HD   ARG  38          1HD       ARG  38  14.324  -2.365   5.123
  279   2HD   ARG  38          2HD       ARG  38  12.660  -2.895   4.827
  280    HE   ARG  38           HE       ARG  38  13.556  -3.592   7.472
  281   1HH1  ARG  38          1HH1      ARG  38  12.266  -0.807   5.625
  282   2HH1  ARG  38          2HH1      ARG  38  11.368  -0.198   6.989
  283   1HH2  ARG  38          1HH2      ARG  38  12.459  -2.690   9.235
  284   2HH2  ARG  38          2HH2      ARG  38  11.539  -1.220   9.053
  285    H    GLY  39           H        GLY  39  17.492  -3.567   2.289
  286   1HA   GLY  39          1HA       GLY  39  19.134  -5.511   1.638
  287   2HA   GLY  39          2HA       GLY  39  17.958  -5.775   0.337
  288    H    ASN  40           H        ASN  40  17.256  -3.478  -0.705
  289    HA   ASN  40           HA       ASN  40  19.732  -2.543  -1.951
  290   1HB   ASN  40          1HB       ASN  40  16.844  -1.847  -2.579
  291   2HB   ASN  40          2HB       ASN  40  18.251  -1.554  -3.608
  292   1HD2  ASN  40          2HD2      ASN  40  19.677  -3.813  -3.742
  293   2HD2  ASN  40          1HD2      ASN  40  18.701  -5.143  -4.329
  294    H    PHE  41           H        PHE  41  19.016  -1.568   0.865
  295    HA   PHE  41           HA       PHE  41  19.879   1.164   0.533
  296   1HB   PHE  41          1HB       PHE  41  17.536   1.525  -0.002
  297   2HB   PHE  41          2HB       PHE  41  16.992   0.535   1.312
  298    HD1  PHE  41           HD1      PHE  41  16.726   1.363   3.563
  299    HD2  PHE  41           HD2      PHE  41  18.456   3.826   0.476
  300    HE1  PHE  41           HE1      PHE  41  16.223   3.387   4.896
  301    HE2  PHE  41           HE2      PHE  41  17.976   5.850   1.839
  302    HZ   PHE  41           HZ       PHE  41  16.846   5.634   4.033
  303    H    ARG  42           H        ARG  42  17.885  -0.795   2.666
  304    HA   ARG  42           HA       ARG  42  18.701   0.079   5.126
  305   1HB   ARG  42          1HB       ARG  42  16.796  -1.468   4.460
  306   2HB   ARG  42          2HB       ARG  42  17.956  -2.779   4.443
  307   1HG   ARG  42          1HG       ARG  42  16.696  -2.780   6.522
  308   2HG   ARG  42          2HG       ARG  42  18.412  -2.504   6.833
  309   1HD   ARG  42          1HD       ARG  42  16.888  -1.105   8.217
  310   2HD   ARG  42          2HD       ARG  42  18.034  -0.158   7.264
  311    HE   ARG  42           HE       ARG  42  15.612  -0.454   5.780
  312   1HH1  ARG  42          1HH2      ARG  42  16.783   1.176   8.708
  313   2HH1  ARG  42          2HH2      ARG  42  15.627   2.477   8.596
  314   1HH2  ARG  42          1HH1      ARG  42  14.075   1.249   5.662
  315   2HH2  ARG  42          2HH1      ARG  42  14.085   2.516   6.861
  316    H    ASN  43           H        ASN  43  19.934  -2.709   3.345
  317    HA   ASN  43           HA       ASN  43  22.049  -3.316   5.230
  318   1HB   ASN  43          1HB       ASN  43  20.802  -5.012   3.921
  319   2HB   ASN  43          2HB       ASN  43  21.517  -4.391   2.433
  320   1HD2  ASN  43          2HD2      ASN  43  23.841  -4.630   2.083
  321   2HD2  ASN  43          1HD2      ASN  43  24.735  -5.851   2.962
  322    H    GLN  44           H        GLN  44  21.906  -2.090   1.879
  323    HA   GLN  44           HA       GLN  44  24.385  -1.944   1.108
  324   1HB   GLN  44          1HB       GLN  44  22.137   0.002   0.703
  325   2HB   GLN  44          2HB       GLN  44  23.669   0.184  -0.161
  326   1HG   GLN  44          1HG       GLN  44  22.381  -2.547  -0.143
  327   2HG   GLN  44          2HG       GLN  44  21.655  -1.276  -1.085
  328   1HE2  GLN  44          2HE2      GLN  44  24.504  -3.339  -0.691
  329   2HE2  GLN  44          1HE2      GLN  44  25.229  -2.985  -2.243
  330    H    ARG  45           H        ARG  45  22.933   1.033   2.488
  331    HA   ARG  45           HA       ARG  45  23.910   2.964   3.214
  332   1HB   ARG  45          1HB       ARG  45  25.496   1.014   4.943
  333   2HB   ARG  45          2HB       ARG  45  25.163   2.719   5.290
  334   1HG   ARG  45          1HG       ARG  45  23.136   0.442   5.162
  335   2HG   ARG  45          2HG       ARG  45  23.642   1.361   6.587
  336   1HD   ARG  45          1HD       ARG  45  22.705   3.441   5.530
  337   2HD   ARG  45          2HD       ARG  45  22.099   2.439   4.185
  338    HE   ARG  45           HE       ARG  45  21.114   1.340   6.568
  339   1HH1  ARG  45          1HH1      ARG  45  20.763   4.159   4.413
  340   2HH1  ARG  45          2HH1      ARG  45  19.090   4.419   4.808
  341   1HH2  ARG  45          1HH2      ARG  45  18.926   1.773   7.159
  342   2HH2  ARG  45          2HH2      ARG  45  18.039   3.063   6.380
  343    H    LYS  46           H        LYS  46  24.743   2.599   0.891
  344    HA   LYS  46           HA       LYS  46  27.655   3.013   0.695
  345   1HB   LYS  46          1HB       LYS  46  26.266   1.428  -0.759
  346   2HB   LYS  46          2HB       LYS  46  25.519   2.866  -1.461
  347   1HG   LYS  46          1HG       LYS  46  27.898   3.635  -2.078
  348   2HG   LYS  46          2HG       LYS  46  28.450   2.027  -1.585
  349   1HD   LYS  46          1HD       LYS  46  26.422   2.682  -3.775
  350   2HD   LYS  46          2HD       LYS  46  28.097   2.160  -4.018
  351   1HE   LYS  46          1HE       LYS  46  27.558  -0.020  -2.907
  352   2HE   LYS  46          2HE       LYS  46  25.865   0.494  -2.755
  353   1HZ   LYS  46          1HZ       LYS  46  25.741   0.660  -5.113
  354   2HZ   LYS  46          2HZ       LYS  46  27.303   0.156  -5.277
  355   3HZ   LYS  46          3HZ       LYS  46  26.167  -0.860  -4.647
  356    H    ILE  47           H        ILE  47  26.543   4.739   2.204
  357    HA   ILE  47           HA       ILE  47  26.191   6.914   2.717
  358    HB   ILE  47           HB       ILE  47  27.072   7.684  -0.094
  359   1HG1  ILE  47          1HG1      ILE  47  28.775   7.122   2.380
  360   2HG1  ILE  47          2HG1      ILE  47  28.780   6.193   0.873
  361   1HG2  ILE  47          1HG2      ILE  47  25.998   9.448   1.408
  362   2HG2  ILE  47          2HG2      ILE  47  27.306   9.164   2.565
  363   3HG2  ILE  47          3HG2      ILE  47  27.654   9.803   0.943
  364   1HD1  ILE  47          1HD1      ILE  47  29.542   8.237  -0.356
  365   2HD1  ILE  47          2HD1      ILE  47  29.761   9.040   1.221
  366   3HD1  ILE  47          3HD1      ILE  47  30.693   7.590   0.830
  367    H    VAL  48           H        VAL  48  24.017   5.687   2.555
  368    HA   VAL  48           HA       VAL  48  22.072   7.447   1.368
  369    HB   VAL  48           HB       VAL  48  22.769   5.930  -0.553
  370   1HG1  VAL  48          1HG1      VAL  48  23.091   3.845   0.798
  371   2HG1  VAL  48          2HG1      VAL  48  21.329   3.741   1.006
  372   3HG1  VAL  48          3HG1      VAL  48  22.041   3.633  -0.613
  373   1HG2  VAL  48          1HG2      VAL  48  20.623   7.090  -0.545
  374   2HG2  VAL  48          2HG2      VAL  48  20.479   5.488  -1.292
  375   3HG2  VAL  48          3HG2      VAL  48  19.880   5.756   0.356
  Start of MODEL   15
    1   1H    LEU   1          1H        LEU   1 -34.549  12.791   1.475
    2   2H    LEU   1          2H        LEU   1 -34.931  12.313  -0.092
    3    HA   LEU   1           HA       LEU   1 -34.823  10.777   2.223
    4   1HB   LEU   1          1HB       LEU   1 -37.604  11.180   1.089
    5   2HB   LEU   1          2HB       LEU   1 -37.114   9.634   1.788
    6    HG   LEU   1           HG       LEU   1 -36.611  10.631   3.933
    7   1HD1  LEU   1          1HD2      LEU   1 -37.536  13.248   2.671
    8   2HD1  LEU   1          2HD2      LEU   1 -37.463  12.963   4.421
    9   3HD1  LEU   1          3HD2      LEU   1 -35.979  12.911   3.478
   10   1HD2  LEU   1          1HD1      LEU   1 -38.862   9.745   3.424
   11   2HD2  LEU   1          2HD1      LEU   1 -38.940  11.086   4.578
   12   3HD2  LEU   1          3HD1      LEU   1 -39.376  11.356   2.877
   13    H    GLU   2           H        GLU   2 -33.099  10.490   0.573
   14    HA   GLU   2           HA       GLU   2 -33.723   9.122  -1.911
   15   1HB   GLU   2          1HB       GLU   2 -31.149   9.924  -0.483
   16   2HB   GLU   2          2HB       GLU   2 -31.201   9.056  -2.019
   17   1HG   GLU   2          1HG       GLU   2 -30.877  11.388  -2.479
   18   2HG   GLU   2          2HG       GLU   2 -32.447  10.857  -3.088
   19    HE2  GLU   2           HE2      GLU   2 -33.675  13.787  -1.670
   20    H    GLU   3           H        GLU   3 -34.955   7.480  -0.582
   21    HA   GLU   3           HA       GLU   3 -33.486   5.580   0.884
   22   1HB   GLU   3          1HB       GLU   3 -35.678   4.496   1.207
   23   2HB   GLU   3          2HB       GLU   3 -35.899   6.254   1.300
   24   1HG   GLU   3          1HG       GLU   3 -36.396   6.265  -1.152
   25   2HG   GLU   3          2HG       GLU   3 -36.215   4.533  -1.190
   26    HE2  GLU   3           HE2      GLU   3 -39.518   6.185   0.575
   27    H    MET   4           H        MET   4 -32.945   5.853  -1.859
   28    HA   MET   4           HA       MET   4 -33.137   3.339  -3.211
   29   1HB   MET   4          1HB       MET   4 -31.726   4.203  -4.819
   30   2HB   MET   4          2HB       MET   4 -32.801   5.509  -4.313
   31   1HG   MET   4          1HG       MET   4 -30.992   6.203  -2.712
   32   2HG   MET   4          2HG       MET   4 -29.947   5.010  -3.506
   33   1HE   MET   4          1HE       MET   4 -28.103   6.859  -3.921
   34   2HE   MET   4          2HE       MET   4 -28.424   8.423  -4.707
   35   3HE   MET   4          3HE       MET   4 -29.137   8.066  -3.117
   36    H    MET   5           H        MET   5 -30.799   4.775  -0.983
   37    HA   MET   5           HA       MET   5 -28.860   2.664  -1.105
   38   1HB   MET   5          1HB       MET   5 -29.461   4.802   1.001
   39   2HB   MET   5          2HB       MET   5 -28.031   3.761   0.978
   40   1HG   MET   5          1HG       MET   5 -27.404   4.689  -1.243
   41   2HG   MET   5          2HG       MET   5 -28.780   5.801  -1.151
   42   1HE   MET   5          1HE       MET   5 -25.824   6.694  -1.741
   43   2HE   MET   5          2HE       MET   5 -27.151   7.874  -1.599
   44   3HE   MET   5          3HE       MET   5 -25.643   8.120  -0.692
   45    H    THR   6           H        THR   6 -31.845   3.201   0.683
   46    HA   THR   6           HA       THR   6 -31.435   1.046   2.578
   47    HB   THR   6           HB       THR   6 -34.076   2.305   1.755
   48    HG1  THR   6           HG1      THR   6 -32.172   3.178   3.663
   49   1HG2  THR   6          1HG2      THR   6 -34.704   1.764   4.072
   50   2HG2  THR   6          2HG2      THR   6 -34.249   0.299   3.183
   51   3HG2  THR   6          3HG2      THR   6 -33.114   1.021   4.346
   52    H    ALA   7           H        ALA   7 -33.100   1.507  -0.514
   53    HA   ALA   7           HA       ALA   7 -34.303  -1.055  -0.687
   54   1HB   ALA   7          1HB       ALA   7 -35.101   0.869  -1.952
   55   2HB   ALA   7          2HB       ALA   7 -33.602   0.910  -2.898
   56   3HB   ALA   7          3HB       ALA   7 -34.702  -0.476  -3.038
   57    H    CYS   8           H        CYS   8 -31.577   0.131  -2.667
   58    HA   CYS   8           HA       CYS   8 -30.773  -2.694  -3.176
   59   1HB   CYS   8          1HB       CYS   8 -29.465  -1.842  -5.028
   60   2HB   CYS   8          2HB       CYS   8 -31.163  -1.361  -5.151
   61    HG   CYS   8           HG       CYS   8 -29.664   0.520  -6.085
   62    H    GLN   9           H        GLN   9 -30.263  -2.429  -0.734
   63    HA   GLN   9           HA       GLN   9 -27.750  -1.098  -0.137
   64   1HB   GLN   9          1HB       GLN   9 -29.739  -1.265   1.382
   65   2HB   GLN   9          2HB       GLN   9 -29.378  -2.968   1.637
   66   1HG   GLN   9          1HG       GLN   9 -27.257  -2.451   2.672
   67   2HG   GLN   9          2HG       GLN   9 -27.289  -0.782   2.084
   68   1HE2  GLN   9          2HE2      GLN   9 -29.202   0.576   2.827
   69   2HE2  GLN   9          1HE2      GLN   9 -29.645   0.413   4.519
   70    H    GLY  10           H        GLY  10 -26.675  -2.369  -1.932
   71   1HA   GLY  10          1HA       GLY  10 -25.942  -5.124  -1.578
   72   2HA   GLY  10          2HA       GLY  10 -25.101  -3.916  -2.567
   73    H    VAL  11           H        VAL  11 -24.006  -2.118  -1.115
   74    HA   VAL  11           HA       VAL  11 -22.270  -1.572   0.059
   75    HB   VAL  11           HB       VAL  11 -24.151  -1.188   1.350
   76   1HG1  VAL  11          1HG1      VAL  11 -23.356  -3.693   2.854
   77   2HG1  VAL  11          2HG1      VAL  11 -24.457  -2.436   3.481
   78   3HG1  VAL  11          3HG1      VAL  11 -24.896  -3.343   2.020
   79   1HG2  VAL  11          1HG2      VAL  11 -21.913  -0.291   1.962
   80   2HG2  VAL  11          2HG2      VAL  11 -22.924  -0.552   3.392
   81   3HG2  VAL  11          3HG2      VAL  11 -21.628  -1.698   3.009
   82    H    GLY  12           H        GLY  12 -21.813  -3.623  -1.372
   83   1HA   GLY  12          1HA       GLY  12 -20.221  -5.666   0.104
   84   2HA   GLY  12          2HA       GLY  12 -20.621  -5.666  -1.618
   85    H    GLY  13           H        GLY  13 -19.289  -2.863   0.117
   86   1HA   GLY  13          1HA       GLY  13 -17.028  -2.658  -1.709
   87   2HA   GLY  13          2HA       GLY  13 -17.405  -1.593  -0.350
   88    HA   PRO  14           HA       PRO  14 -13.900  -4.642   0.826
   89   1HB   PRO  14          1HB       PRO  14 -11.767  -2.905   0.492
   90   2HB   PRO  14          2HB       PRO  14 -12.327  -4.082  -0.710
   91   1HG   PRO  14          1HG       PRO  14 -12.840  -1.124  -0.700
   92   2HG   PRO  14          2HG       PRO  14 -12.503  -2.211  -2.061
   93   1HD   PRO  14          1HD       PRO  14 -15.031  -1.364  -1.349
   94   2HD   PRO  14          2HD       PRO  14 -14.716  -2.919  -2.172
   95    H    GLY  15           H        GLY  15 -13.183  -1.237   1.238
   96   1HA   GLY  15          1HA       GLY  15 -13.452   0.318   2.877
   97   2HA   GLY  15          2HA       GLY  15 -14.559  -0.777   3.722
   98    H    HIS  16           H        HIS  16 -12.607  -2.894   3.833
   99    HA   HIS  16           HA       HIS  16 -10.517  -1.922   5.712
  100   1HB   HIS  16          1HB       HIS  16 -12.437  -2.908   7.017
  101   2HB   HIS  16          2HB       HIS  16 -12.283  -4.400   6.083
  102    HD1  HIS  16           HD1      HIS  16 -10.805  -2.528   8.980
  103    HD2  HIS  16           HD2      HIS  16  -9.942  -5.930   6.629
  104    HE1  HIS  16           HE1      HIS  16  -8.982  -3.849  10.193
  105    HE2  HIS  16           HE2      HIS  16  -8.436  -5.929   8.789
  106    H    LYS  17           H        LYS  17 -11.614  -4.360   3.336
  107    HA   LYS  17           HA       LYS  17  -9.095  -5.688   3.180
  108   1HB   LYS  17          1HB       LYS  17 -11.226  -6.530   2.175
  109   2HB   LYS  17          2HB       LYS  17 -11.187  -5.195   1.044
  110   1HG   LYS  17          1HG       LYS  17 -10.393  -7.317   0.049
  111   2HG   LYS  17          2HG       LYS  17  -9.223  -6.005  -0.064
  112   1HD   LYS  17          1HD       LYS  17  -8.178  -8.159   0.467
  113   2HD   LYS  17          2HD       LYS  17  -7.866  -6.962   1.723
  114   1HE   LYS  17          1HE       LYS  17  -9.589  -7.993   3.171
  115   2HE   LYS  17          2HE       LYS  17 -10.028  -9.118   1.871
  116   1HZ   LYS  17          1HZ       LYS  17  -7.420  -8.977   3.211
  117   2HZ   LYS  17          2HZ       LYS  17  -8.585 -10.114   3.472
  118   3HZ   LYS  17          3HZ       LYS  17  -7.830 -10.031   2.011
  119    H    ALA  18           H        ALA  18 -10.361  -2.620   2.073
  120    HA   ALA  18           HA       ALA  18  -8.354  -1.809   0.205
  121   1HB   ALA  18          1HB       ALA  18 -10.309  -0.277   1.996
  122   2HB   ALA  18          2HB       ALA  18  -9.363   0.438   0.674
  123   3HB   ALA  18          3HB       ALA  18 -10.596  -0.786   0.322
  124    H    ARG  19           H        ARG  19  -8.835  -1.524   3.775
  125    HA   ARG  19           HA       ARG  19  -6.534   0.177   4.161
  126   1HB   ARG  19          1HB       ARG  19  -8.535   0.135   5.564
  127   2HB   ARG  19          2HB       ARG  19  -8.110  -1.483   6.163
  128   1HG   ARG  19          1HG       ARG  19  -6.034  -0.608   7.134
  129   2HG   ARG  19          2HG       ARG  19  -6.364   1.003   6.475
  130   1HD   ARG  19          1HD       ARG  19  -8.130  -0.453   8.507
  131   2HD   ARG  19          2HD       ARG  19  -6.913   0.757   8.894
  132    HE   ARG  19           HE       ARG  19  -8.175   2.476   8.033
  133   1HH1  ARG  19          1HH1      ARG  19  -9.907  -0.584   7.506
  134   2HH1  ARG  19          2HH1      ARG  19 -11.376   0.208   6.993
  135   1HH2  ARG  19          1HH2      ARG  19 -10.138   3.477   7.472
  136   2HH2  ARG  19          2HH2      ARG  19 -11.534   2.512   7.063
  137    H    VAL  20           H        VAL  20  -7.130  -3.304   4.240
  138    HA   VAL  20           HA       VAL  20  -4.571  -4.086   5.329
  139    HB   VAL  20           HB       VAL  20  -6.695  -5.548   3.735
  140   1HG1  VAL  20          1HG2      VAL  20  -4.154  -6.671   4.986
  141   2HG1  VAL  20          2HG2      VAL  20  -5.521  -7.652   4.417
  142   3HG1  VAL  20          3HG2      VAL  20  -4.589  -6.695   3.262
  143   1HG2  VAL  20          1HG1      VAL  20  -7.265  -4.887   6.106
  144   2HG2  VAL  20          2HG1      VAL  20  -7.217  -6.638   5.853
  145   3HG2  VAL  20          3HG1      VAL  20  -5.863  -5.816   6.656
  146    H    LEU  21           H        LEU  21  -5.910  -3.684   2.054
  147    HA   LEU  21           HA       LEU  21  -3.555  -4.436   0.666
  148   1HB   LEU  21          1HB       LEU  21  -5.734  -4.098  -0.502
  149   2HB   LEU  21          2HB       LEU  21  -5.630  -2.364  -0.174
  150    HG   LEU  21           HG       LEU  21  -3.382  -2.346  -1.431
  151   1HD1  LEU  21          1HD2      LEU  21  -4.354  -5.168  -2.108
  152   2HD1  LEU  21          2HD2      LEU  21  -3.153  -4.292  -3.066
  153   3HD1  LEU  21          3HD2      LEU  21  -2.791  -4.717  -1.390
  154   1HD2  LEU  21          1HD1      LEU  21  -5.424  -1.520  -2.445
  155   2HD2  LEU  21          2HD1      LEU  21  -4.373  -2.325  -3.623
  156   3HD2  LEU  21          3HD1      LEU  21  -5.821  -3.166  -3.014
  157    H    ALA  22           H        ALA  22  -4.725  -1.156   1.616
  158    HA   ALA  22           HA       ALA  22  -2.569   0.366   0.831
  159   1HB   ALA  22          1HB       ALA  22  -4.657   1.284   1.736
  160   2HB   ALA  22          2HB       ALA  22  -4.213   0.729   3.365
  161   3HB   ALA  22          3HB       ALA  22  -3.240   1.970   2.554
  162    H    GLU  23           H        GLU  23  -2.824  -1.598   3.821
  163    HA   GLU  23           HA       GLU  23  -0.386  -0.720   5.050
  164   1HB   GLU  23          1HB       GLU  23  -2.423  -2.072   6.001
  165   2HB   GLU  23          2HB       GLU  23  -1.624  -3.477   5.322
  166   1HG   GLU  23          1HG       GLU  23   0.452  -2.919   6.607
  167   2HG   GLU  23          2HG       GLU  23  -0.412  -1.571   7.366
  168    HE2  GLU  23           HE2      GLU  23  -2.541  -3.748   9.251
  169    H    ALA  24           H        ALA  24  -1.246  -3.379   2.895
  170    HA   ALA  24           HA       ALA  24   1.401  -4.547   2.890
  171   1HB   ALA  24          1HB       ALA  24  -0.631  -5.873   2.343
  172   2HB   ALA  24          2HB       ALA  24  -0.871  -4.901   0.874
  173   3HB   ALA  24          3HB       ALA  24   0.563  -5.932   1.030
  174    H    MET  25           H        MET  25  -0.243  -2.127   0.891
  175    HA   MET  25           HA       MET  25   1.969  -1.898  -0.983
  176   1HB   MET  25          1HB       MET  25  -0.604  -0.311  -0.456
  177   2HB   MET  25          2HB       MET  25   0.501   0.041  -1.787
  178   1HG   MET  25          1HG       MET  25  -0.915  -2.646  -1.467
  179   2HG   MET  25          2HG       MET  25  -1.454  -1.296  -2.412
  180   1HE   MET  25          1HE       MET  25  -1.586  -3.053  -4.448
  181   2HE   MET  25          2HE       MET  25  -0.178  -3.924  -5.098
  182   3HE   MET  25          3HE       MET  25  -0.824  -4.363  -3.502
  183    H    SER  26           H        SER  26   1.696  -1.074   2.184
  184    HA   SER  26           HA       SER  26   3.531   1.278   1.922
  185   1HB   SER  26          1HB       SER  26   1.729   0.441   4.230
  186   2HB   SER  26          2HB       SER  26   2.957   1.716   4.295
  187    HG   SER  26           HG       SER  26   1.849   2.714   2.525
  188    H    GLN  27           H        GLN  27   3.245  -2.081   2.643
  189    HA   GLN  27           HA       GLN  27   5.748  -2.191   4.204
  190   1HB   GLN  27          1HB       GLN  27   3.516  -3.401   4.780
  191   2HB   GLN  27          2HB       GLN  27   3.819  -4.413   3.379
  192   1HG   GLN  27          1HG       GLN  27   5.991  -5.141   4.364
  193   2HG   GLN  27          2HG       GLN  27   5.679  -4.124   5.781
  194   1HE2  GLN  27          2HE2      GLN  27   3.422  -4.560   6.851
  195   2HE2  GLN  27          1HE2      GLN  27   2.990  -6.248   7.023
  196    H    VAL  28           H        VAL  28   4.337  -3.462   1.146
  197    HA   VAL  28           HA       VAL  28   6.559  -5.146   0.445
  198    HB   VAL  28           HB       VAL  28   4.165  -4.021  -1.060
  199   1HG1  VAL  28          1HG2      VAL  28   6.220  -6.080  -1.987
  200   2HG1  VAL  28          2HG2      VAL  28   4.664  -5.766  -2.784
  201   3HG1  VAL  28          3HG2      VAL  28   5.895  -4.499  -2.734
  202   1HG2  VAL  28          1HG1      VAL  28   3.735  -5.716   0.794
  203   2HG2  VAL  28          2HG1      VAL  28   3.245  -6.255  -0.819
  204   3HG2  VAL  28          3HG1      VAL  28   4.753  -6.855  -0.094
  205    H    THR  29           H        THR  29   5.241  -2.003  -0.748
  206    HA   THR  29           HA       THR  29   7.157  -1.164  -2.401
  207    HB   THR  29           HB       THR  29   5.456   0.471  -0.444
  208    HG1  THR  29           HG1      THR  29   3.675  -0.077  -1.718
  209   1HG2  THR  29          1HG2      THR  29   5.858   0.511  -3.432
  210   2HG2  THR  29          2HG2      THR  29   4.915   1.686  -2.453
  211   3HG2  THR  29          3HG2      THR  29   6.709   1.579  -2.251
  212    H    ASN  30           H        ASN  30   7.091  -1.091   1.152
  213    HA   ASN  30           HA       ASN  30   9.358   0.682   1.453
  214   1HB   ASN  30          1HB       ASN  30   7.531   0.032   3.165
  215   2HB   ASN  30          2HB       ASN  30   8.566  -1.333   3.547
  216   1HD2  ASN  30          2HD2      ASN  30  11.109  -0.476   3.607
  217   2HD2  ASN  30          1HD2      ASN  30  11.301   0.866   4.713
  218    H    SER  31           H        SER  31   8.804  -2.812   1.442
  219    HA   SER  31           HA       SER  31  11.490  -3.621   2.045
  220   1HB   SER  31          1HB       SER  31   9.475  -5.113   2.227
  221   2HB   SER  31          2HB       SER  31   9.413  -5.193   0.454
  222    HG   SER  31           HG       SER  31  11.607  -5.973   0.564
  223    H    ALA  32           H        ALA  32   9.875  -2.576  -0.882
  224    HA   ALA  32           HA       ALA  32  12.184  -3.202  -2.619
  225   1HB   ALA  32          1HB       ALA  32   9.962  -3.440  -3.498
  226   2HB   ALA  32          2HB       ALA  32   9.644  -1.704  -3.220
  227   3HB   ALA  32          3HB       ALA  32  10.906  -2.217  -4.376
  228    H    THR  33           H        THR  33  10.923  -0.411  -0.753
  229    HA   THR  33           HA       THR  33  12.589   1.541  -2.018
  230    HB   THR  33           HB       THR  33  10.659   1.604  -0.025
  231    HG1  THR  33           HG1      THR  33  12.466   3.615  -0.814
  232   1HG2  THR  33          1HG2      THR  33  13.227   2.650   1.252
  233   2HG2  THR  33          2HG2      THR  33  11.580   2.778   1.887
  234   3HG2  THR  33          3HG2      THR  33  12.369   1.208   1.808
  235    H    ILE  34           H        ILE  34  13.086  -0.927   0.430
  236    HA   ILE  34           HA       ILE  34  15.665  -0.099   1.346
  237    HB   ILE  34           HB       ILE  34  14.267  -2.773   1.282
  238   1HG1  ILE  34          1HG1      ILE  34  13.437  -0.961   2.856
  239   2HG1  ILE  34          2HG1      ILE  34  13.900  -2.495   3.594
  240   1HG2  ILE  34          1HG2      ILE  34  16.998  -2.096   2.376
  241   2HG2  ILE  34          2HG2      ILE  34  16.082  -3.537   2.876
  242   3HG2  ILE  34          3HG2      ILE  34  16.598  -3.360   1.196
  243   1HD1  ILE  34          1HD1      ILE  34  15.649   0.003   3.557
  244   2HD1  ILE  34          2HD1      ILE  34  14.650  -0.551   4.907
  245   3HD1  ILE  34          3HD1      ILE  34  16.020  -1.530   4.375
  246    H    MET  35           H        MET  35  14.517  -1.816  -1.532
  247    HA   MET  35           HA       MET  35  17.118  -2.815  -2.409
  248   1HB   MET  35          1HB       MET  35  14.612  -2.422  -4.045
  249   2HB   MET  35          2HB       MET  35  16.027  -3.395  -4.427
  250   1HG   MET  35          1HG       MET  35  14.188  -3.833  -2.052
  251   2HG   MET  35          2HG       MET  35  14.167  -4.669  -3.572
  252   1HE   MET  35          1HE       MET  35  14.104  -6.903  -2.124
  253   2HE   MET  35          2HE       MET  35  15.382  -7.384  -0.984
  254   3HE   MET  35          3HE       MET  35  14.312  -6.020  -0.592
  255    H    MET  36           H        MET  36  15.079   0.071  -3.114
  256    HA   MET  36           HA       MET  36  16.697   1.177  -5.219
  257   1HB   MET  36          1HB       MET  36  14.839   2.500  -3.186
  258   2HB   MET  36          2HB       MET  36  15.502   3.297  -4.611
  259   1HG   MET  36          1HG       MET  36  13.717   0.825  -4.667
  260   2HG   MET  36          2HG       MET  36  13.166   2.479  -4.826
  261   1HE   MET  36          1HE       MET  36  13.529   3.980  -6.870
  262   2HE   MET  36          2HE       MET  36  15.307   3.851  -6.864
  263   3HE   MET  36          3HE       MET  36  14.398   3.520  -8.352
  264    H    GLN  37           H        GLN  37  16.432   1.726  -1.745
  265    HA   GLN  37           HA       GLN  37  18.516   3.507  -1.245
  266   1HB   GLN  37          1HB       GLN  37  16.665   2.916   0.265
  267   2HB   GLN  37          2HB       GLN  37  17.204   1.234   0.316
  268   1HG   GLN  37          1HG       GLN  37  19.312   1.978   1.324
  269   2HG   GLN  37          2HG       GLN  37  18.588   3.622   1.430
  270   1HE2  GLN  37          2HE2      GLN  37  16.335   3.614   2.574
  271   2HE2  GLN  37          1HE2      GLN  37  16.174   2.583   3.980
  272    H    ARG  38           H        ARG  38  18.458  -0.052  -1.436
  273    HA   ARG  38           HA       ARG  38  21.352  -0.428  -1.207
  274   1HB   ARG  38          1HB       ARG  38  18.930  -2.028  -1.446
  275   2HB   ARG  38          2HB       ARG  38  20.258  -2.855  -2.048
  276   1HG   ARG  38          1HG       ARG  38  19.999  -3.382   0.353
  277   2HG   ARG  38          2HG       ARG  38  21.537  -2.582   0.032
  278   1HD   ARG  38          1HD       ARG  38  20.455  -0.398   0.840
  279   2HD   ARG  38          2HD       ARG  38  19.082  -1.353   1.367
  280    HE   ARG  38           HE       ARG  38  21.807  -1.197   2.460
  281   1HH1  ARG  38          1HH1      ARG  38  18.742  -2.970   2.613
  282   2HH1  ARG  38          2HH1      ARG  38  18.958  -3.448   4.278
  283   1HH2  ARG  38          1HH2      ARG  38  22.143  -1.935   4.620
  284   2HH2  ARG  38          2HH2      ARG  38  20.919  -2.897   5.389
  285    H    GLY  39           H        GLY  39  20.878   1.328  -2.957
  286   1HA   GLY  39          1HA       GLY  39  22.123   0.355  -5.473
  287   2HA   GLY  39          2HA       GLY  39  20.777   1.522  -5.542
  288    H    ASN  40           H        ASN  40  21.043   3.310  -3.706
  289    HA   ASN  40           HA       ASN  40  23.669   4.628  -4.042
  290   1HB   ASN  40          1HB       ASN  40  21.551   5.896  -4.324
  291   2HB   ASN  40          2HB       ASN  40  21.091   5.500  -2.661
  292   1HD2  ASN  40          2HD2      ASN  40  20.966   7.876  -2.373
  293   2HD2  ASN  40          1HD2      ASN  40  22.435   8.776  -2.063
  294    H    PHE  41           H        PHE  41  24.327   2.532  -2.932
  295    HA   PHE  41           HA       PHE  41  25.174   2.860  -0.205
  296   1HB   PHE  41          1HB       PHE  41  22.849   2.299   0.270
  297   2HB   PHE  41          2HB       PHE  41  22.851   1.057  -0.948
  298    HD1  PHE  41           HD1      PHE  41  23.739   1.810   2.532
  299    HD2  PHE  41           HD2      PHE  41  23.780  -1.174  -0.587
  300    HE1  PHE  41           HE1      PHE  41  24.076   0.035   4.217
  301    HE2  PHE  41           HE2      PHE  41  24.227  -2.926   1.092
  302    HZ   PHE  41           HZ       PHE  41  24.359  -2.344   3.491
  303    H    ARG  42           H        ARG  42  24.041   0.539  -2.594
  304    HA   ARG  42           HA       ARG  42  26.031  -1.457  -2.507
  305   1HB   ARG  42          1HB       ARG  42  23.754  -1.451  -3.577
  306   2HB   ARG  42          2HB       ARG  42  24.415  -0.489  -4.888
  307   1HG   ARG  42          1HG       ARG  42  25.912  -2.283  -5.563
  308   2HG   ARG  42          2HG       ARG  42  25.522  -3.220  -4.107
  309   1HD   ARG  42          1HD       ARG  42  24.305  -4.082  -6.082
  310   2HD   ARG  42          2HD       ARG  42  23.223  -3.493  -4.805
  311    HE   ARG  42           HE       ARG  42  23.903  -1.536  -6.888
  312   1HH1  ARG  42          1HH1      ARG  42  21.566  -4.040  -5.920
  313   2HH1  ARG  42          2HH1      ARG  42  20.272  -3.363  -6.872
  314   1HH2  ARG  42          1HH2      ARG  42  22.192  -0.672  -8.120
  315   2HH2  ARG  42          2HH2      ARG  42  20.630  -1.451  -8.131
  316    H    ASN  43           H        ASN  43  25.649   1.465  -4.438
  317    HA   ASN  43           HA       ASN  43  28.084   1.309  -5.955
  318   1HB   ASN  43          1HB       ASN  43  26.106   2.604  -6.651
  319   2HB   ASN  43          2HB       ASN  43  26.252   3.636  -5.227
  320   1HD2  ASN  43          2HD2      ASN  43  28.139   2.559  -8.117
  321   2HD2  ASN  43          1HD2      ASN  43  28.986   4.078  -8.322
  322    H    GLN  44           H        GLN  44  27.063   3.128  -3.074
  323    HA   GLN  44           HA       GLN  44  29.193   4.639  -2.608
  324   1HB   GLN  44          1HB       GLN  44  27.289   3.392  -0.673
  325   2HB   GLN  44          2HB       GLN  44  28.404   4.666  -0.222
  326   1HG   GLN  44          1HG       GLN  44  26.557   5.009  -2.644
  327   2HG   GLN  44          2HG       GLN  44  26.011   5.210  -1.020
  328   1HE2  GLN  44          2HE2      GLN  44  25.724   7.418  -2.469
  329   2HE2  GLN  44          1HE2      GLN  44  26.970   8.608  -2.157
  330    H    ARG  45           H        ARG  45  28.532   1.453  -1.163
  331    HA   ARG  45           HA       ARG  45  29.705  -0.097  -0.028
  332   1HB   ARG  45          1HB       ARG  45  32.151   1.003  -1.484
  333   2HB   ARG  45          2HB       ARG  45  32.043  -0.525  -0.601
  334   1HG   ARG  45          1HG       ARG  45  30.263  -1.306  -2.162
  335   2HG   ARG  45          2HG       ARG  45  30.375   0.227  -3.044
  336   1HD   ARG  45          1HD       ARG  45  31.625  -1.447  -4.236
  337   2HD   ARG  45          2HD       ARG  45  32.738  -0.228  -3.581
  338    HE   ARG  45           HE       ARG  45  32.465  -2.390  -1.728
  339   1HH1  ARG  45          1HH1      ARG  45  33.921  -1.681  -4.884
  340   2HH1  ARG  45          2HH1      ARG  45  35.192  -2.865  -4.709
  341   1HH2  ARG  45          1HH2      ARG  45  34.138  -3.938  -1.504
  342   2HH2  ARG  45          2HH2      ARG  45  35.313  -4.157  -2.775
  343    H    LYS  46           H        LYS  46  28.909   1.867   1.571
  344    HA   LYS  46           HA       LYS  46  31.105   2.879   3.265
  345   1HB   LYS  46          1HB       LYS  46  29.727   4.286   1.697
  346   2HB   LYS  46          2HB       LYS  46  28.335   3.939   2.673
  347   1HG   LYS  46          1HG       LYS  46  29.931   4.796   4.665
  348   2HG   LYS  46          2HG       LYS  46  30.941   5.389   3.356
  349   1HD   LYS  46          1HD       LYS  46  28.081   6.182   4.031
  350   2HD   LYS  46          2HD       LYS  46  29.525   7.195   4.100
  351   1HE   LYS  46          1HE       LYS  46  28.113   6.139   1.610
  352   2HE   LYS  46          2HE       LYS  46  28.183   7.808   2.169
  353   1HZ   LYS  46          1HZ       LYS  46  30.507   6.246   1.285
  354   2HZ   LYS  46          2HZ       LYS  46  29.696   7.355   0.381
  355   3HZ   LYS  46          3HZ       LYS  46  30.513   7.833   1.737
  356    H    ILE  47           H        ILE  47  28.543   3.269   4.462
  357    HA   ILE  47           HA       ILE  47  28.572   1.466   6.713
  358    HB   ILE  47           HB       ILE  47  26.224   3.143   5.724
  359   1HG1  ILE  47          1HG1      ILE  47  28.060   4.652   6.045
  360   2HG1  ILE  47          2HG1      ILE  47  26.928   4.841   7.370
  361   1HG2  ILE  47          1HG2      ILE  47  26.761   1.864   8.430
  362   2HG2  ILE  47          2HG2      ILE  47  25.552   3.135   8.156
  363   3HG2  ILE  47          3HG2      ILE  47  25.391   1.586   7.336
  364   1HD1  ILE  47          1HD1      ILE  47  28.427   3.456   8.830
  365   2HD1  ILE  47          2HD1      ILE  47  29.595   3.363   7.489
  366   3HD1  ILE  47          3HD1      ILE  47  29.199   4.926   8.214
  367    H    VAL  48           H        VAL  48  27.189  -0.267   7.275
  368    HA   VAL  48           HA       VAL  48  26.055  -1.780   4.978
  369    HB   VAL  48           HB       VAL  48  27.019  -2.717   7.705
  370   1HG1  VAL  48          1HG1      VAL  48  26.012  -4.270   5.277
  371   2HG1  VAL  48          2HG1      VAL  48  26.758  -4.989   6.719
  372   3HG1  VAL  48          3HG1      VAL  48  25.206  -4.156   6.856
  373   1HG2  VAL  48          1HG2      VAL  48  28.241  -3.004   4.921
  374   2HG2  VAL  48          2HG2      VAL  48  28.906  -2.044   6.260
  375   3HG2  VAL  48          3HG2      VAL  48  28.833  -3.804   6.392
  Start of MODEL   16
    1   1H    LEU   1          1H        LEU   1 -29.932  -1.758   9.959
    2   2H    LEU   1          2H        LEU   1 -28.638  -2.678   9.406
    3    HA   LEU   1           HA       LEU   1 -28.934   0.175   8.790
    4   1HB   LEU   1          1HB       LEU   1 -27.432  -2.082   7.399
    5   2HB   LEU   1          2HB       LEU   1 -27.463  -0.398   6.875
    6    HG   LEU   1           HG       LEU   1 -26.239  -1.433   9.473
    7   1HD1  LEU   1          1HD2      LEU   1 -24.990  -2.052   7.433
    8   2HD1  LEU   1          2HD2      LEU   1 -24.966  -0.349   6.925
    9   3HD1  LEU   1          3HD2      LEU   1 -24.107  -0.854   8.396
   10   1HD2  LEU   1          1HD1      LEU   1 -26.322   1.382   8.286
   11   2HD2  LEU   1          2HD1      LEU   1 -27.047   0.862   9.825
   12   3HD2  LEU   1          3HD1      LEU   1 -25.291   0.880   9.641
   13    H    GLU   2           H        GLU   2 -29.886   0.766   6.737
   14    HA   GLU   2           HA       GLU   2 -32.106  -0.959   5.891
   15   1HB   GLU   2          1HB       GLU   2 -31.213   1.874   5.184
   16   2HB   GLU   2          2HB       GLU   2 -32.660   1.070   4.560
   17   1HG   GLU   2          1HG       GLU   2 -33.541   0.836   6.869
   18   2HG   GLU   2          2HG       GLU   2 -32.123   1.694   7.499
   19    HE2  GLU   2           HE2      GLU   2 -34.786   4.143   7.215
   20    H    GLU   3           H        GLU   3 -32.375  -1.127   3.411
   21    HA   GLU   3           HA       GLU   3 -30.315  -2.480   2.318
   22   1HB   GLU   3          1HB       GLU   3 -32.764  -1.071   1.126
   23   2HB   GLU   3          2HB       GLU   3 -31.761  -2.209   0.222
   24   1HG   GLU   3          1HG       GLU   3 -32.968  -3.777   0.999
   25   2HG   GLU   3          2HG       GLU   3 -32.148  -3.655   2.530
   26    HE2  GLU   3           HE2      GLU   3 -36.044  -2.898   2.371
   27    H    MET   4           H        MET   4 -29.740  -2.235   0.346
   28    HA   MET   4           HA       MET   4 -28.179  -1.675  -1.258
   29   1HB   MET   4          1HB       MET   4 -29.673   0.117  -1.855
   30   2HB   MET   4          2HB       MET   4 -29.008   1.152  -0.590
   31   1HG   MET   4          1HG       MET   4 -26.851   1.251  -1.742
   32   2HG   MET   4          2HG       MET   4 -27.398   0.052  -2.927
   33   1HE   MET   4          1HE       MET   4 -26.456   1.638  -4.794
   34   2HE   MET   4          2HE       MET   4 -26.970   3.325  -5.026
   35   3HE   MET   4          3HE       MET   4 -26.001   2.882  -3.603
   36    H    MET   5           H        MET   5 -27.868  -0.382   1.969
   37    HA   MET   5           HA       MET   5 -25.124   0.439   1.884
   38   1HB   MET   5          1HB       MET   5 -26.847  -0.550   4.195
   39   2HB   MET   5          2HB       MET   5 -25.314   0.308   4.330
   40   1HG   MET   5          1HG       MET   5 -26.277   2.299   3.274
   41   2HG   MET   5          2HG       MET   5 -27.823   1.471   3.062
   42   1HE   MET   5          1HE       MET   5 -29.254   3.273   4.140
   43   2HE   MET   5          2HE       MET   5 -28.880   4.051   5.696
   44   3HE   MET   5          3HE       MET   5 -27.795   4.280   4.304
   45    H    THR   6           H        THR   6 -26.805  -2.635   2.249
   46    HA   THR   6           HA       THR   6 -24.697  -4.191   3.364
   47    HB   THR   6           HB       THR   6 -26.996  -5.053   1.551
   48    HG1  THR   6           HG1      THR   6 -28.073  -5.335   3.549
   49   1HG2  THR   6          1HG2      THR   6 -26.825  -7.183   2.821
   50   2HG2  THR   6          2HG2      THR   6 -25.334  -6.848   1.927
   51   3HG2  THR   6          3HG2      THR   6 -25.402  -6.556   3.680
   52    H    ALA   7           H        ALA   7 -25.621  -3.278   0.089
   53    HA   ALA   7           HA       ALA   7 -23.570  -4.897  -1.237
   54   1HB   ALA   7          1HB       ALA   7 -25.389  -2.701  -2.307
   55   2HB   ALA   7          2HB       ALA   7 -24.337  -3.756  -3.273
   56   3HB   ALA   7          3HB       ALA   7 -25.695  -4.448  -2.364
   57    H    CYS   8           H        CYS   8 -24.187  -1.421  -0.853
   58    HA   CYS   8           HA       CYS   8 -21.434  -0.669  -1.545
   59   1HB   CYS   8          1HB       CYS   8 -23.862   0.985  -0.704
   60   2HB   CYS   8          2HB       CYS   8 -22.309   1.642  -1.258
   61    HG   CYS   8           HG       CYS   8 -24.015   1.878  -3.163
   62    H    GLN   9           H        GLN   9 -20.999  -2.231   0.385
   63    HA   GLN   9           HA       GLN   9 -21.297  -1.110   3.057
   64   1HB   GLN   9          1HB       GLN   9 -21.545  -3.498   2.370
   65   2HB   GLN   9          2HB       GLN   9 -19.800  -3.591   2.123
   66   1HG   GLN   9          1HG       GLN   9 -19.482  -2.966   4.540
   67   2HG   GLN   9          2HG       GLN   9 -21.242  -2.882   4.732
   68   1HE2  GLN   9          2HE2      GLN   9 -22.249  -5.098   3.497
   69   2HE2  GLN   9          1HE2      GLN   9 -21.594  -6.547   4.229
   70    H    GLY  10           H        GLY  10 -20.141   0.889   2.400
   71   1HA   GLY  10          1HA       GLY  10 -18.331   2.283   2.584
   72   2HA   GLY  10          2HA       GLY  10 -17.420   0.964   3.343
   73    H    VAL  11           H        VAL  11 -18.981   1.175   0.103
   74    HA   VAL  11           HA       VAL  11 -16.744   0.002  -1.226
   75    HB   VAL  11           HB       VAL  11 -18.999  -0.409  -1.856
   76   1HG1  VAL  11          1HG2      VAL  11 -19.841   1.915  -1.577
   77   2HG1  VAL  11          2HG2      VAL  11 -18.956   2.364  -3.062
   78   3HG1  VAL  11          3HG2      VAL  11 -20.260   1.153  -3.134
   79   1HG2  VAL  11          1HG1      VAL  11 -17.115  -0.803  -3.434
   80   2HG2  VAL  11          2HG1      VAL  11 -18.615  -0.368  -4.272
   81   3HG2  VAL  11          3HG1      VAL  11 -17.330   0.839  -4.085
   82    H    GLY  12           H        GLY  12 -18.064   3.256  -1.020
   83   1HA   GLY  12          1HA       GLY  12 -17.265   5.335  -1.424
   84   2HA   GLY  12          2HA       GLY  12 -15.731   4.692  -0.850
   85    H    GLY  13           H        GLY  13 -17.156   3.459  -3.835
   86   1HA   GLY  13          1HA       GLY  13 -16.445   3.488  -6.005
   87   2HA   GLY  13          2HA       GLY  13 -16.582   5.212  -5.748
   88    HA   PRO  14           HA       PRO  14 -12.287   4.401  -7.328
   89   1HB   PRO  14          1HB       PRO  14 -11.770   6.958  -8.226
   90   2HB   PRO  14          2HB       PRO  14 -12.823   5.788  -9.041
   91   1HG   PRO  14          1HG       PRO  14 -13.733   8.083  -7.364
   92   2HG   PRO  14          2HG       PRO  14 -14.334   7.539  -8.947
   93   1HD   PRO  14          1HD       PRO  14 -15.513   6.833  -6.590
   94   2HD   PRO  14          2HD       PRO  14 -15.525   5.749  -8.015
   95    H    GLY  15           H        GLY  15 -13.175   7.276  -5.641
   96   1HA   GLY  15          1HA       GLY  15 -10.845   8.226  -4.480
   97   2HA   GLY  15          2HA       GLY  15 -12.419   8.311  -3.667
   98    H    HIS  16           H        HIS  16 -12.968   5.660  -3.096
   99    HA   HIS  16           HA       HIS  16 -11.060   5.124  -0.945
  100   1HB   HIS  16          1HB       HIS  16 -13.481   4.898  -0.584
  101   2HB   HIS  16          2HB       HIS  16 -13.572   3.684  -1.875
  102    HD1  HIS  16           HD1      HIS  16 -14.018   1.470  -0.818
  103    HD2  HIS  16           HD2      HIS  16 -11.304   3.819   1.401
  104    HE1  HIS  16           HE1      HIS  16 -13.231   0.054   1.165
  105    HE2  HIS  16           HE2      HIS  16 -11.578   1.462   2.539
  106    H    LYS  17           H        LYS  17 -11.630   3.806  -4.185
  107    HA   LYS  17           HA       LYS  17 -10.039   1.404  -3.846
  108   1HB   LYS  17          1HB       LYS  17 -11.211   2.902  -6.096
  109   2HB   LYS  17          2HB       LYS  17  -9.614   2.242  -6.351
  110   1HG   LYS  17          1HG       LYS  17 -10.815   0.535  -7.130
  111   2HG   LYS  17          2HG       LYS  17 -10.580  -0.030  -5.480
  112   1HD   LYS  17          1HD       LYS  17 -13.029   1.485  -6.510
  113   2HD   LYS  17          2HD       LYS  17 -12.908  -0.277  -6.477
  114   1HE   LYS  17          1HE       LYS  17 -12.809  -0.348  -4.075
  115   2HE   LYS  17          2HE       LYS  17 -12.649   1.410  -3.959
  116   1HZ   LYS  17          1HZ       LYS  17 -14.999   0.020  -5.003
  117   2HZ   LYS  17          2HZ       LYS  17 -14.862   0.756  -3.528
  118   3HZ   LYS  17          3HZ       LYS  17 -14.785   1.658  -4.898
  119    H    ALA  18           H        ALA  18  -9.341   4.797  -4.468
  120    HA   ALA  18           HA       ALA  18  -6.501   4.481  -4.868
  121   1HB   ALA  18          1HB       ALA  18  -7.790   6.365  -5.804
  122   2HB   ALA  18          2HB       ALA  18  -8.149   6.942  -4.166
  123   3HB   ALA  18          3HB       ALA  18  -6.475   6.920  -4.744
  124    H    ARG  19           H        ARG  19  -8.680   5.089  -2.035
  125    HA   ARG  19           HA       ARG  19  -6.497   5.749  -0.274
  126   1HB   ARG  19          1HB       ARG  19  -8.877   6.388   0.067
  127   2HB   ARG  19          2HB       ARG  19  -9.258   4.685   0.389
  128   1HG   ARG  19          1HG       ARG  19  -7.770   4.693   2.349
  129   2HG   ARG  19          2HG       ARG  19  -7.224   6.335   1.954
  130   1HD   ARG  19          1HD       ARG  19  -9.578   7.160   2.276
  131   2HD   ARG  19          2HD       ARG  19 -10.067   5.517   2.696
  132    HE   ARG  19           HE       ARG  19  -9.190   5.741   4.785
  133   1HH1  ARG  19          1HH1      ARG  19  -7.881   8.375   2.787
  134   2HH1  ARG  19          2HH1      ARG  19  -7.164   9.207   4.141
  135   1HH2  ARG  19          1HH2      ARG  19  -8.236   6.841   6.542
  136   2HH2  ARG  19          2HH2      ARG  19  -7.361   8.328   6.281
  137    H    VAL  20           H        VAL  20  -8.150   2.763  -1.199
  138    HA   VAL  20           HA       VAL  20  -6.846   1.056   0.741
  139    HB   VAL  20           HB       VAL  20  -8.406   0.534  -1.800
  140   1HG1  VAL  20          1HG2      VAL  20  -7.214  -1.502   0.134
  141   2HG1  VAL  20          2HG2      VAL  20  -8.453  -1.866  -1.084
  142   3HG1  VAL  20          3HG2      VAL  20  -6.847  -1.343  -1.600
  143   1HG2  VAL  20          1HG1      VAL  20  -9.631   1.360   0.256
  144   2HG2  VAL  20          2HG1      VAL  20 -10.126  -0.262  -0.255
  145   3HG2  VAL  20          3HG1      VAL  20  -9.034  -0.057   1.130
  146    H    LEU  21           H        LEU  21  -6.264   1.933  -2.661
  147    HA   LEU  21           HA       LEU  21  -3.970   0.309  -3.014
  148   1HB   LEU  21          1HB       LEU  21  -5.069   1.486  -4.915
  149   2HB   LEU  21          2HB       LEU  21  -4.607   3.046  -4.221
  150    HG   LEU  21           HG       LEU  21  -2.155   2.379  -4.451
  151   1HD1  LEU  21          1HD2      LEU  21  -3.409   0.036  -5.964
  152   2HD1  LEU  21          2HD2      LEU  21  -1.692   0.489  -6.028
  153   3HD1  LEU  21          3HD2      LEU  21  -2.396  -0.074  -4.509
  154   1HD2  LEU  21          1HD1      LEU  21  -3.275   3.807  -6.109
  155   2HD2  LEU  21          2HD1      LEU  21  -2.080   2.739  -6.867
  156   3HD2  LEU  21          3HD1      LEU  21  -3.814   2.366  -7.002
  157    H    ALA  22           H        ALA  22  -4.194   3.777  -1.952
  158    HA   ALA  22           HA       ALA  22  -1.489   4.233  -1.521
  159   1HB   ALA  22          1HB       ALA  22  -3.216   5.969  -1.401
  160   2HB   ALA  22          2HB       ALA  22  -3.837   5.275   0.113
  161   3HB   ALA  22          3HB       ALA  22  -2.207   5.976   0.058
  162    H    GLU  23           H        GLU  23  -3.806   2.565   0.623
  163    HA   GLU  23           HA       GLU  23  -2.135   2.368   2.928
  164   1HB   GLU  23          1HB       GLU  23  -4.691   1.995   2.621
  165   2HB   GLU  23          2HB       GLU  23  -4.263   0.371   2.107
  166   1HG   GLU  23          1HG       GLU  23  -3.055  -0.016   4.239
  167   2HG   GLU  23          2HG       GLU  23  -3.507   1.608   4.786
  168    HE2  GLU  23           HE2      GLU  23  -6.946   0.756   5.189
  169    H    ALA  24           H        ALA  24  -2.786   0.278   0.142
  170    HA   ALA  24           HA       ALA  24  -1.081  -1.885   1.072
  171   1HB   ALA  24          1HB       ALA  24  -2.979  -2.296  -0.519
  172   2HB   ALA  24          2HB       ALA  24  -2.142  -1.313  -1.747
  173   3HB   ALA  24          3HB       ALA  24  -1.424  -2.834  -1.194
  174    H    MET  25           H        MET  25  -0.620   0.914  -1.065
  175    HA   MET  25           HA       MET  25   1.822   0.027  -2.263
  176   1HB   MET  25          1HB       MET  25   0.496   2.737  -1.840
  177   2HB   MET  25          2HB       MET  25   2.075   2.574  -2.614
  178   1HG   MET  25          1HG       MET  25  -0.366   1.045  -3.578
  179   2HG   MET  25          2HG       MET  25   0.039   2.664  -4.119
  180   1HE   MET  25          1HE       MET  25   1.927   3.269  -5.709
  181   2HE   MET  25          2HE       MET  25   3.210   2.666  -4.630
  182   3HE   MET  25          3HE       MET  25   3.163   2.151  -6.327
  183    H    SER  26           H        SER  26   1.011   2.287   0.395
  184    HA   SER  26           HA       SER  26   3.632   2.741   1.283
  185   1HB   SER  26          1HB       SER  26   2.652   3.384   3.446
  186   2HB   SER  26          2HB       SER  26   1.785   4.086   2.069
  187    HG   SER  26           HG       SER  26   0.222   2.451   2.310
  188    H    GLN  27           H        GLN  27   1.548  -0.046   1.962
  189    HA   GLN  27           HA       GLN  27   3.207  -1.172   4.035
  190   1HB   GLN  27          1HB       GLN  27   0.676  -1.561   3.571
  191   2HB   GLN  27          2HB       GLN  27   1.176  -2.535   2.205
  192   1HG   GLN  27          1HG       GLN  27   2.421  -4.066   3.723
  193   2HG   GLN  27          2HG       GLN  27   1.973  -3.047   5.102
  194   1HE2  GLN  27          2HE2      GLN  27   0.423  -4.769   2.314
  195   2HE2  GLN  27          1HE2      GLN  27  -0.955  -5.341   3.232
  196    H    VAL  28           H        VAL  28   2.858  -1.687   0.528
  197    HA   VAL  28           HA       VAL  28   4.480  -4.064   0.339
  198    HB   VAL  28           HB       VAL  28   3.499  -2.005  -1.657
  199   1HG1  VAL  28          1HG2      VAL  28   4.898  -4.652  -2.206
  200   2HG1  VAL  28          2HG2      VAL  28   4.021  -3.696  -3.420
  201   3HG1  VAL  28          3HG2      VAL  28   5.471  -3.031  -2.658
  202   1HG2  VAL  28          1HG1      VAL  28   1.905  -3.733  -0.362
  203   2HG2  VAL  28          2HG1      VAL  28   1.692  -3.364  -2.083
  204   3HG2  VAL  28          3HG1      VAL  28   2.524  -4.848  -1.567
  205    H    THR  29           H        THR  29   4.956  -0.565  -0.406
  206    HA   THR  29           HA       THR  29   7.585  -0.495  -1.098
  207    HB   THR  29           HB       THR  29   5.536   1.372   0.207
  208    HG1  THR  29           HG1      THR  29   4.785   0.552  -1.761
  209   1HG2  THR  29          1HG2      THR  29   6.553   3.123  -0.930
  210   2HG2  THR  29          2HG2      THR  29   7.633   2.367   0.305
  211   3HG2  THR  29          3HG2      THR  29   7.882   2.017  -1.466
  212    H    ASN  30           H        ASN  30   5.993  -0.494   2.102
  213    HA   ASN  30           HA       ASN  30   8.370   0.123   3.611
  214   1HB   ASN  30          1HB       ASN  30   5.907   0.149   4.425
  215   2HB   ASN  30          2HB       ASN  30   6.125  -1.560   4.724
  216   1HD2  ASN  30          2HD2      ASN  30   8.123  -2.171   6.083
  217   2HD2  ASN  30          1HD2      ASN  30   8.511  -1.090   7.403
  218    H    SER  31           H        SER  31   6.720  -2.834   2.614
  219    HA   SER  31           HA       SER  31   8.405  -4.720   3.966
  220   1HB   SER  31          1HB       SER  31   6.140  -5.249   3.028
  221   2HB   SER  31          2HB       SER  31   6.835  -5.194   1.395
  222    HG   SER  31           HG       SER  31   8.328  -6.818   2.131
  223    H    ALA  32           H        ALA  32   8.671  -2.976   0.925
  224    HA   ALA  32           HA       ALA  32  11.128  -4.384   0.100
  225   1HB   ALA  32          1HB       ALA  32   9.592  -3.632  -1.580
  226   2HB   ALA  32          2HB       ALA  32   9.828  -1.936  -1.066
  227   3HB   ALA  32          3HB       ALA  32  11.190  -2.874  -1.741
  228    H    THR  33           H        THR  33  10.276  -1.459   1.962
  229    HA   THR  33           HA       THR  33  12.926  -0.338   1.897
  230    HB   THR  33           HB       THR  33  10.445   0.435   2.940
  231    HG1  THR  33           HG1      THR  33  11.585   2.326   3.391
  232   1HG2  THR  33          1HG2      THR  33  12.385   0.335   5.288
  233   2HG2  THR  33          2HG2      THR  33  10.779   1.078   5.247
  234   3HG2  THR  33          3HG2      THR  33  10.934  -0.671   5.164
  235    H    ILE  34           H        ILE  34  11.345  -2.906   3.709
  236    HA   ILE  34           HA       ILE  34  13.405  -3.240   5.695
  237    HB   ILE  34           HB       ILE  34  11.333  -5.132   4.571
  238   1HG1  ILE  34          1HG1      ILE  34  10.485  -3.321   6.011
  239   2HG1  ILE  34          2HG1      ILE  34  10.246  -4.938   6.680
  240   1HG2  ILE  34          1HG2      ILE  34  13.443  -5.646   6.660
  241   2HG2  ILE  34          2HG2      ILE  34  11.960  -6.616   6.551
  242   3HG2  ILE  34          3HG2      ILE  34  13.104  -6.602   5.205
  243   1HD1  ILE  34          1HD1      ILE  34  12.154  -4.580   8.239
  244   2HD1  ILE  34          2HD1      ILE  34  12.360  -2.934   7.594
  245   3HD1  ILE  34          3HD1      ILE  34  10.873  -3.380   8.433
  246    H    MET  35           H        MET  35  13.059  -4.191   2.307
  247    HA   MET  35           HA       MET  35  15.288  -6.053   2.205
  248   1HB   MET  35          1HB       MET  35  14.021  -4.588  -0.094
  249   2HB   MET  35          2HB       MET  35  15.035  -6.023  -0.118
  250   1HG   MET  35          1HG       MET  35  12.318  -5.821   1.219
  251   2HG   MET  35          2HG       MET  35  12.680  -6.490  -0.341
  252   1HE   MET  35          1HE       MET  35  11.217  -8.581   0.474
  253   2HE   MET  35          2HE       MET  35  11.627  -9.583   1.886
  254   3HE   MET  35          3HE       MET  35  11.046  -7.919   2.118
  255    H    MET  36           H        MET  36  14.788  -2.522   1.466
  256    HA   MET  36           HA       MET  36  17.425  -2.200   0.413
  257   1HB   MET  36          1HB       MET  36  16.726  -0.099  -0.104
  258   2HB   MET  36          2HB       MET  36  15.160  -0.845   0.157
  259   1HG   MET  36          1HG       MET  36  14.920   1.077   1.271
  260   2HG   MET  36          2HG       MET  36  15.402   0.072   2.601
  261   1HE   MET  36          1HE       MET  36  15.433   3.017   3.136
  262   2HE   MET  36          2HE       MET  36  16.133   1.840   4.274
  263   3HE   MET  36          3HE       MET  36  17.048   3.298   3.830
  264    H    GLN  37           H        GLN  37  15.947  -1.854   3.591
  265    HA   GLN  37           HA       GLN  37  18.124  -0.817   5.096
  266   1HB   GLN  37          1HB       GLN  37  15.750  -0.631   5.691
  267   2HB   GLN  37          2HB       GLN  37  15.562  -2.397   5.656
  268   1HG   GLN  37          1HG       GLN  37  16.993  -2.691   7.496
  269   2HG   GLN  37          2HG       GLN  37  17.340  -0.931   7.550
  270   1HE2  GLN  37          2HE2      GLN  37  15.159   0.440   7.652
  271   2HE2  GLN  37          1HE2      GLN  37  13.971  -0.135   8.803
  272    H    ARG  38           H        ARG  38  17.021  -4.080   4.151
  273    HA   ARG  38           HA       ARG  38  18.871  -5.580   5.732
  274   1HB   ARG  38          1HB       ARG  38  16.788  -6.058   3.836
  275   2HB   ARG  38          2HB       ARG  38  18.167  -6.759   3.151
  276   1HG   ARG  38          1HG       ARG  38  17.297  -8.516   4.392
  277   2HG   ARG  38          2HG       ARG  38  18.409  -7.874   5.604
  278   1HD   ARG  38          1HD       ARG  38  15.412  -7.245   5.347
  279   2HD   ARG  38          2HD       ARG  38  16.128  -8.386   6.489
  280    HE   ARG  38           HE       ARG  38  17.193  -5.673   6.680
  281   1HH1  ARG  38          1HH1      ARG  38  14.530  -7.771   7.742
  282   2HH1  ARG  38          2HH1      ARG  38  14.247  -6.864   9.205
  283   1HH2  ARG  38          1HH2      ARG  38  16.836  -4.532   8.613
  284   2HH2  ARG  38          2HH2      ARG  38  15.529  -4.982   9.673
  285    H    GLY  39           H        GLY  39  20.846  -4.991   5.642
  286   1HA   GLY  39          1HA       GLY  39  23.029  -4.661   4.907
  287   2HA   GLY  39          2HA       GLY  39  22.539  -5.145   3.273
  288    H    ASN  40           H        ASN  40  21.205  -2.560   5.371
  289    HA   ASN  40           HA       ASN  40  20.633  -0.546   3.827
  290   1HB   ASN  40          1HB       ASN  40  20.428  -0.411   6.214
  291   2HB   ASN  40          2HB       ASN  40  22.179  -0.357   6.432
  292   1HD2  ASN  40          2HD2      ASN  40  23.222   1.648   6.350
  293   2HD2  ASN  40          1HD2      ASN  40  22.432   3.136   5.872
  294    H    PHE  41           H        PHE  41  23.972  -0.478   5.157
  295    HA   PHE  41           HA       PHE  41  24.889   1.668   3.710
  296   1HB   PHE  41          1HB       PHE  41  26.407  -0.783   4.681
  297   2HB   PHE  41          2HB       PHE  41  27.136   0.745   4.217
  298    HD1  PHE  41           HD1      PHE  41  25.583  -1.108   6.909
  299    HD2  PHE  41           HD2      PHE  41  26.305   2.897   5.474
  300    HE1  PHE  41           HE1      PHE  41  24.922  -0.194   9.114
  301    HE2  PHE  41           HE2      PHE  41  25.643   3.802   7.685
  302    HZ   PHE  41           HZ       PHE  41  24.942   2.261   9.504
  303    H    ARG  42           H        ARG  42  25.073  -1.745   2.751
  304    HA   ARG  42           HA       ARG  42  26.483  -1.458   0.333
  305   1HB   ARG  42          1HB       ARG  42  25.558  -3.570   1.733
  306   2HB   ARG  42          2HB       ARG  42  24.243  -3.457   0.577
  307   1HG   ARG  42          1HG       ARG  42  25.728  -4.999  -0.355
  308   2HG   ARG  42          2HG       ARG  42  26.007  -3.519  -1.284
  309   1HD   ARG  42          1HD       ARG  42  28.040  -3.048   0.036
  310   2HD   ARG  42          2HD       ARG  42  27.713  -4.412   1.105
  311    HE   ARG  42           HE       ARG  42  28.901  -4.431  -1.550
  312   1HH1  ARG  42          1HH1      ARG  42  27.147  -6.448   0.795
  313   2HH1  ARG  42          2HH1      ARG  42  27.765  -7.946   0.149
  314   1HH2  ARG  42          1HH2      ARG  42  29.688  -6.403  -2.386
  315   2HH2  ARG  42          2HH2      ARG  42  29.208  -7.919  -1.670
  316    H    ASN  43           H        ASN  43  23.029  -1.182   1.055
  317    HA   ASN  43           HA       ASN  43  22.144  -0.968  -1.672
  318   1HB   ASN  43          1HB       ASN  43  20.742  -1.805   0.184
  319   2HB   ASN  43          2HB       ASN  43  20.731  -0.200   0.917
  320   1HD2  ASN  43          2HD2      ASN  43  19.652   1.576  -0.172
  321   2HD2  ASN  43          1HD2      ASN  43  18.408   1.243  -1.358
  322    H    GLN  44           H        GLN  44  22.728   1.377   0.952
  323    HA   GLN  44           HA       GLN  44  22.036   3.657  -0.308
  324   1HB   GLN  44          1HB       GLN  44  24.325   3.308   1.685
  325   2HB   GLN  44          2HB       GLN  44  23.574   4.825   1.196
  326   1HG   GLN  44          1HG       GLN  44  21.353   3.474   1.927
  327   2HG   GLN  44          2HG       GLN  44  22.523   2.680   2.979
  328   1HE2  GLN  44          2HE2      GLN  44  21.336   5.940   2.054
  329   2HE2  GLN  44          1HE2      GLN  44  21.664   6.668   3.613
  330    H    ARG  45           H        ARG  45  25.250   2.172  -0.080
  331    HA   ARG  45           HA       ARG  45  26.743   3.813  -1.552
  332   1HB   ARG  45          1HB       ARG  45  27.589   2.006  -0.179
  333   2HB   ARG  45          2HB       ARG  45  27.014   0.794  -1.336
  334   1HG   ARG  45          1HG       ARG  45  28.545   1.695  -3.061
  335   2HG   ARG  45          2HG       ARG  45  29.086   2.953  -1.938
  336   1HD   ARG  45          1HD       ARG  45  29.382  -0.062  -1.556
  337   2HD   ARG  45          2HD       ARG  45  30.673   1.017  -2.081
  338    HE   ARG  45           HE       ARG  45  29.678   0.580   0.614
  339   1HH1  ARG  45          1HH1      ARG  45  31.305   2.982  -1.440
  340   2HH1  ARG  45          2HH1      ARG  45  32.049   3.806  -0.096
  341   1HH2  ARG  45          1HH2      ARG  45  30.656   1.676   2.360
  342   2HH2  ARG  45          2HH2      ARG  45  31.674   3.063   2.073
  343    H    LYS  46           H        LYS  46  25.123   0.822  -2.783
  344    HA   LYS  46           HA       LYS  46  25.447   1.734  -5.570
  345   1HB   LYS  46          1HB       LYS  46  26.450  -0.424  -4.632
  346   2HB   LYS  46          2HB       LYS  46  24.807  -1.036  -4.476
  347   1HG   LYS  46          1HG       LYS  46  24.435  -0.722  -6.923
  348   2HG   LYS  46          2HG       LYS  46  26.044   0.005  -7.080
  349   1HD   LYS  46          1HD       LYS  46  27.121  -2.102  -6.559
  350   2HD   LYS  46          2HD       LYS  46  25.579  -2.834  -6.081
  351   1HE   LYS  46          1HE       LYS  46  26.281  -3.584  -8.332
  352   2HE   LYS  46          2HE       LYS  46  24.729  -2.733  -8.360
  353   1HZ   LYS  46          1HZ       LYS  46  27.322  -1.554  -9.077
  354   2HZ   LYS  46          2HZ       LYS  46  26.165  -2.056 -10.137
  355   3HZ   LYS  46          3HZ       LYS  46  25.862  -0.788  -9.132
  356    H    ILE  47           H        ILE  47  23.677   3.096  -4.318
  357    HA   ILE  47           HA       ILE  47  20.999   2.101  -4.450
  358    HB   ILE  47           HB       ILE  47  21.642   4.089  -3.155
  359   1HG1  ILE  47          1HG1      ILE  47  19.798   5.596  -3.726
  360   2HG1  ILE  47          2HG1      ILE  47  19.529   4.734  -5.243
  361   1HG2  ILE  47          1HG2      ILE  47  23.262   5.095  -4.774
  362   2HG2  ILE  47          2HG2      ILE  47  21.898   5.560  -5.812
  363   3HG2  ILE  47          3HG2      ILE  47  22.061   6.250  -4.190
  364   1HD1  ILE  47          1HD1      ILE  47  19.355   3.488  -2.455
  365   2HD1  ILE  47          2HD1      ILE  47  17.970   4.079  -3.394
  366   3HD1  ILE  47          3HD1      ILE  47  18.900   2.698  -3.984
  367    H    VAL  48           H        VAL  48  19.422   2.262  -6.067
  368    HA   VAL  48           HA       VAL  48  20.352   1.891  -8.728
  369    HB   VAL  48           HB       VAL  48  18.382   0.793  -7.765
  370   1HG1  VAL  48          1HG1      VAL  48  17.407   2.712  -6.492
  371   2HG1  VAL  48          2HG1      VAL  48  16.938   3.468  -8.030
  372   3HG1  VAL  48          3HG1      VAL  48  16.234   1.916  -7.551
  373   1HG2  VAL  48          1HG2      VAL  48  18.663   0.965 -10.219
  374   2HG2  VAL  48          2HG2      VAL  48  16.959   0.909  -9.735
  375   3HG2  VAL  48          3HG2      VAL  48  17.686   2.450 -10.224
  Start of MODEL   17
    1   1H    LEU   1          1H        LEU   1 -29.164  10.657  -8.716
    2   2H    LEU   1          2H        LEU   1 -30.450  10.763  -9.795
    3    HA   LEU   1           HA       LEU   1 -30.417   8.607  -9.968
    4   1HB   LEU   1          1HB       LEU   1 -28.562   8.792  -7.572
    5   2HB   LEU   1          2HB       LEU   1 -29.142   7.226  -8.119
    6    HG   LEU   1           HG       LEU   1 -26.908   7.759  -8.930
    7   1HD1  LEU   1          1HD2      LEU   1 -28.347   6.161 -10.138
    8   2HD1  LEU   1          2HD2      LEU   1 -28.915   7.467 -11.202
    9   3HD1  LEU   1          3HD2      LEU   1 -27.210   6.994 -11.210
   10   1HD2  LEU   1          1HD1      LEU   1 -27.204  10.217  -9.302
   11   2HD2  LEU   1          2HD1      LEU   1 -26.448   9.355 -10.652
   12   3HD2  LEU   1          3HD1      LEU   1 -28.145   9.837 -10.770
   13    H    GLU   2           H        GLU   2 -31.610   6.764  -9.245
   14    HA   GLU   2           HA       GLU   2 -33.777   7.360  -7.456
   15   1HB   GLU   2          1HB       GLU   2 -34.569   5.165  -8.206
   16   2HB   GLU   2          2HB       GLU   2 -34.104   6.224  -9.546
   17   1HG   GLU   2          1HG       GLU   2 -32.062   4.213  -8.590
   18   2HG   GLU   2          2HG       GLU   2 -33.453   3.653  -9.516
   19    HE2  GLU   2           HE2      GLU   2 -32.382   4.959 -12.539
   20    H    GLU   3           H        GLU   3 -31.930   7.725  -5.766
   21    HA   GLU   3           HA       GLU   3 -30.349   6.417  -4.487
   22   1HB   GLU   3          1HB       GLU   3 -32.534   8.172  -3.590
   23   2HB   GLU   3          2HB       GLU   3 -31.707   7.296  -2.286
   24   1HG   GLU   3          1HG       GLU   3 -29.568   7.973  -3.017
   25   2HG   GLU   3          2HG       GLU   3 -30.099   8.418  -4.586
   26    HE2  GLU   3           HE2      GLU   3 -30.506  11.005  -1.446
   27    H    MET   4           H        MET   4 -29.854   4.660  -4.153
   28    HA   MET   4           HA       MET   4 -31.545   2.593  -2.874
   29   1HB   MET   4          1HB       MET   4 -29.777   1.113  -4.226
   30   2HB   MET   4          2HB       MET   4 -31.391   1.551  -4.819
   31   1HG   MET   4          1HG       MET   4 -30.547   3.305  -6.174
   32   2HG   MET   4          2HG       MET   4 -28.989   3.236  -5.357
   33   1HE   MET   4          1HE       MET   4 -31.427   1.619  -7.906
   34   2HE   MET   4          2HE       MET   4 -30.533   0.199  -8.493
   35   3HE   MET   4          3HE       MET   4 -31.176   0.216  -6.837
   36    H    MET   5           H        MET   5 -28.207   3.768  -3.397
   37    HA   MET   5           HA       MET   5 -26.905   2.347  -1.352
   38   1HB   MET   5          1HB       MET   5 -26.432   4.967  -2.806
   39   2HB   MET   5          2HB       MET   5 -25.330   4.325  -1.575
   40   1HG   MET   5          1HG       MET   5 -24.588   3.693  -3.706
   41   2HG   MET   5          2HG       MET   5 -25.061   2.243  -2.817
   42   1HE   MET   5          1HE       MET   5 -24.764   0.767  -4.950
   43   2HE   MET   5          2HE       MET   5 -25.456   1.173  -6.537
   44   3HE   MET   5          3HE       MET   5 -24.190   2.204  -5.831
   45    H    THR   6           H        THR   6 -28.747   5.371  -1.467
   46    HA   THR   6           HA       THR   6 -28.151   6.147   1.274
   47    HB   THR   6           HB       THR   6 -30.429   7.037  -0.519
   48    HG1  THR   6           HG1      THR   6 -29.015   8.789  -0.909
   49   1HG2  THR   6          1HG2      THR   6 -30.397   9.066   0.950
   50   2HG2  THR   6          2HG2      THR   6 -30.883   7.608   1.822
   51   3HG2  THR   6          3HG2      THR   6 -29.235   8.245   2.014
   52    H    ALA   7           H        ALA   7 -30.686   4.258  -0.321
   53    HA   ALA   7           HA       ALA   7 -32.451   4.068   1.913
   54   1HB   ALA   7          1HB       ALA   7 -33.121   3.554  -0.419
   55   2HB   ALA   7          2HB       ALA   7 -32.134   2.077  -0.366
   56   3HB   ALA   7          3HB       ALA   7 -33.518   2.254   0.723
   57    H    CYS   8           H        CYS   8 -29.810   1.985   0.775
   58    HA   CYS   8           HA       CYS   8 -29.778   0.576   3.415
   59   1HB   CYS   8          1HB       CYS   8 -28.527  -1.201   2.323
   60   2HB   CYS   8          2HB       CYS   8 -30.067  -0.923   1.495
   61    HG   CYS   8           HG       CYS   8 -27.038   0.101   0.665
   62    H    GLN   9           H        GLN   9 -28.987   2.963   3.797
   63    HA   GLN   9           HA       GLN   9 -26.311   3.632   3.338
   64   1HB   GLN   9          1HB       GLN   9 -26.532   5.201   5.079
   65   2HB   GLN   9          2HB       GLN   9 -28.013   5.197   4.150
   66   1HG   GLN   9          1HG       GLN   9 -27.571   4.017   6.933
   67   2HG   GLN   9          2HG       GLN   9 -28.464   5.475   6.525
   68   1HE2  GLN   9          2HE2      GLN   9 -30.230   4.940   4.612
   69   2HE2  GLN   9          1HE2      GLN   9 -31.260   3.590   5.035
   70    H    GLY  10           H        GLY  10 -24.469   2.790   4.024
   71   1HA   GLY  10          1HA       GLY  10 -22.930   1.553   5.212
   72   2HA   GLY  10          2HA       GLY  10 -24.043   1.520   6.591
   73    H    VAL  11           H        VAL  11 -23.857   0.245   3.223
   74    HA   VAL  11           HA       VAL  11 -25.523  -2.020   3.721
   75    HB   VAL  11           HB       VAL  11 -25.327  -0.882   1.581
   76   1HG1  VAL  11          1HG1      VAL  11 -22.853  -0.672   1.610
   77   2HG1  VAL  11          2HG1      VAL  11 -22.741  -2.436   1.345
   78   3HG1  VAL  11          3HG1      VAL  11 -23.512  -1.396   0.118
   79   1HG2  VAL  11          1HG2      VAL  11 -26.353  -3.119   1.785
   80   2HG2  VAL  11          2HG2      VAL  11 -25.511  -2.915   0.240
   81   3HG2  VAL  11          3HG2      VAL  11 -24.766  -3.877   1.531
   82    H    GLY  12           H        GLY  12 -22.061  -1.444   3.811
   83   1HA   GLY  12          1HA       GLY  12 -21.506  -3.628   5.536
   84   2HA   GLY  12          2HA       GLY  12 -21.073  -4.102   3.880
   85    H    GLY  13           H        GLY  13 -19.668  -2.547   2.653
   86   1HA   GLY  13          1HA       GLY  13 -17.890  -1.083   2.448
   87   2HA   GLY  13          2HA       GLY  13 -18.077  -0.602   4.135
   88    HA   PRO  14           HA       PRO  14 -14.344  -3.554   3.516
   89   1HB   PRO  14          1HB       PRO  14 -12.375  -1.630   3.800
   90   2HB   PRO  14          2HB       PRO  14 -13.019  -2.226   2.263
   91   1HG   PRO  14          1HG       PRO  14 -13.690   0.358   3.646
   92   2HG   PRO  14          2HG       PRO  14 -13.472   0.026   1.915
   93   1HD   PRO  14          1HD       PRO  14 -15.932   0.199   3.136
   94   2HD   PRO  14          2HD       PRO  14 -15.627  -0.823   1.701
   95    H    GLY  15           H        GLY  15 -13.741  -0.643   5.346
   96   1HA   GLY  15          1HA       GLY  15 -13.896   0.092   7.480
   97   2HA   GLY  15          2HA       GLY  15 -14.806  -1.366   7.913
   98    H    HIS  16           H        HIS  16 -13.081  -3.203   7.182
   99    HA   HIS  16           HA       HIS  16 -10.642  -3.040   8.916
  100   1HB   HIS  16          1HB       HIS  16 -12.283  -4.488  10.065
  101   2HB   HIS  16          2HB       HIS  16 -12.653  -5.328   8.555
  102    HD1  HIS  16           HD1      HIS  16 -11.952  -7.689   9.098
  103    HD2  HIS  16           HD2      HIS  16  -8.996  -4.821  10.014
  104    HE1  HIS  16           HE1      HIS  16  -9.817  -8.960   9.705
  105    HE2  HIS  16           HE2      HIS  16  -7.999  -7.237  10.269
  106    H    LYS  17           H        LYS  17 -12.236  -4.256   5.975
  107    HA   LYS  17           HA       LYS  17  -9.836  -5.379   4.834
  108   1HB   LYS  17          1HB       LYS  17 -12.331  -4.188   3.624
  109   2HB   LYS  17          2HB       LYS  17 -11.139  -5.034   2.694
  110   1HG   LYS  17          1HG       LYS  17 -13.011  -6.142   4.803
  111   2HG   LYS  17          2HG       LYS  17 -12.831  -6.625   3.108
  112   1HD   LYS  17          1HD       LYS  17 -10.431  -7.374   3.756
  113   2HD   LYS  17          2HD       LYS  17 -10.960  -7.208   5.444
  114   1HE   LYS  17          1HE       LYS  17 -12.042  -9.085   3.329
  115   2HE   LYS  17          2HE       LYS  17 -11.143  -9.495   4.801
  116   1HZ   LYS  17          1HZ       LYS  17 -12.999  -8.678   6.081
  117   2HZ   LYS  17          2HZ       LYS  17 -13.837  -8.317   4.708
  118   3HZ   LYS  17          3HZ       LYS  17 -13.476  -9.883   5.064
  119    H    ALA  18           H        ALA  18 -10.983  -2.154   5.446
  120    HA   ALA  18           HA       ALA  18  -9.231  -0.688   3.708
  121   1HB   ALA  18          1HB       ALA  18 -10.673   0.025   6.311
  122   2HB   ALA  18          2HB       ALA  18  -9.874   1.186   5.230
  123   3HB   ALA  18          3HB       ALA  18 -11.291   0.282   4.669
  124    H    ARG  19           H        ARG  19  -9.098  -1.966   7.097
  125    HA   ARG  19           HA       ARG  19  -6.575  -0.764   7.746
  126   1HB   ARG  19          1HB       ARG  19  -8.460  -1.791   9.223
  127   2HB   ARG  19          2HB       ARG  19  -7.650  -3.329   8.942
  128   1HG   ARG  19          1HG       ARG  19  -5.520  -2.397   9.810
  129   2HG   ARG  19          2HG       ARG  19  -6.330  -0.854  10.138
  130   1HD   ARG  19          1HD       ARG  19  -7.047  -3.549  11.370
  131   2HD   ARG  19          2HD       ARG  19  -6.137  -2.249  12.167
  132    HE   ARG  19           HE       ARG  19  -8.544  -1.110  11.285
  133   1HH1  ARG  19          1HH2      ARG  19  -7.511  -3.572  13.623
  134   2HH1  ARG  19          2HH2      ARG  19  -8.891  -3.342  14.665
  135   1HH2  ARG  19          1HH1      ARG  19 -10.352  -0.822  12.653
  136   2HH2  ARG  19          2HH1      ARG  19 -10.512  -1.763  14.113
  137    H    VAL  20           H        VAL  20  -7.605  -3.869   6.445
  138    HA   VAL  20           HA       VAL  20  -5.058  -5.209   6.481
  139    HB   VAL  20           HB       VAL  20  -7.558  -5.668   4.819
  140   1HG1  VAL  20          1HG2      VAL  20  -5.105  -7.443   5.124
  141   2HG1  VAL  20          2HG2      VAL  20  -6.645  -7.961   4.406
  142   3HG1  VAL  20          3HG2      VAL  20  -5.697  -6.695   3.624
  143   1HG2  VAL  20          1HG1      VAL  20  -7.816  -6.050   7.315
  144   2HG2  VAL  20          2HG1      VAL  20  -8.068  -7.494   6.332
  145   3HG2  VAL  20          3HG1      VAL  20  -6.539  -7.266   7.205
  146    H    LEU  21           H        LEU  21  -6.804  -3.243   4.082
  147    HA   LEU  21           HA       LEU  21  -4.851  -3.495   1.996
  148   1HB   LEU  21          1HB       LEU  21  -7.074  -2.537   1.542
  149   2HB   LEU  21          2HB       LEU  21  -6.763  -1.241   2.696
  150    HG   LEU  21           HG       LEU  21  -4.673  -0.648   1.130
  151   1HD1  LEU  21          1HD1      LEU  21  -6.422  -2.242  -0.782
  152   2HD1  LEU  21          2HD1      LEU  21  -5.027  -1.225  -1.203
  153   3HD1  LEU  21          3HD1      LEU  21  -4.788  -2.697  -0.247
  154   1HD2  LEU  21          1HD2      LEU  21  -7.557  -0.193   0.363
  155   2HD2  LEU  21          2HD2      LEU  21  -6.593   0.745   1.533
  156   3HD2  LEU  21          3HD2      LEU  21  -6.145   0.759  -0.186
  157    H    ALA  22           H        ALA  22  -5.398  -0.898   4.468
  158    HA   ALA  22           HA       ALA  22  -3.224   0.689   3.969
  159   1HB   ALA  22          1HB       ALA  22  -5.011   1.253   5.538
  160   2HB   ALA  22          2HB       ALA  22  -4.397   0.053   6.696
  161   3HB   ALA  22          3HB       ALA  22  -3.413   1.467   6.276
  162    H    GLU  23           H        GLU  23  -3.247  -2.334   5.841
  163    HA   GLU  23           HA       GLU  23  -0.569  -2.179   6.801
  164   1HB   GLU  23          1HB       GLU  23  -2.602  -3.727   7.487
  165   2HB   GLU  23          2HB       GLU  23  -2.103  -4.721   6.145
  166   1HG   GLU  23          1HG       GLU  23  -1.127  -5.611   8.159
  167   2HG   GLU  23          2HG       GLU  23   0.167  -4.982   7.133
  168    HE2  GLU  23           HE2      GLU  23   1.234  -2.693   9.516
  169    H    ALA  24           H        ALA  24  -2.096  -3.576   3.958
  170    HA   ALA  24           HA       ALA  24   0.306  -4.870   3.018
  171   1HB   ALA  24          1HB       ALA  24  -1.958  -5.807   2.591
  172   2HB   ALA  24          2HB       ALA  24  -2.359  -4.387   1.600
  173   3HB   ALA  24          3HB       ALA  24  -1.085  -5.504   1.075
  174    H    MET  25           H        MET  25  -1.254  -1.726   2.322
  175    HA   MET  25           HA       MET  25   0.606  -1.329   0.081
  176   1HB   MET  25          1HB       MET  25  -0.557   0.730  -0.268
  177   2HB   MET  25          2HB       MET  25  -1.658  -0.636  -0.257
  178   1HG   MET  25          1HG       MET  25  -2.706   1.202   0.780
  179   2HG   MET  25          2HG       MET  25  -2.452   0.008   1.974
  180   1HE   MET  25          1HE       MET  25  -1.757   3.578   0.726
  181   2HE   MET  25          2HE       MET  25  -0.421   4.152   1.749
  182   3HE   MET  25          3HE       MET  25  -0.114   2.932   0.496
  183    H    SER  26           H        SER  26   1.183  -1.529   3.111
  184    HA   SER  26           HA       SER  26   3.196   0.669   3.182
  185   1HB   SER  26          1HB       SER  26   1.852  -0.857   5.454
  186   2HB   SER  26          2HB       SER  26   3.223   0.253   5.640
  187    HG   SER  26           HG       SER  26   1.033   1.149   5.924
  188    H    GLN  27           H        GLN  27   2.420  -2.773   3.485
  189    HA   GLN  27           HA       GLN  27   5.096  -3.656   4.109
  190   1HB   GLN  27          1HB       GLN  27   2.828  -4.744   4.757
  191   2HB   GLN  27          2HB       GLN  27   2.687  -5.233   3.078
  192   1HG   GLN  27          1HG       GLN  27   4.816  -6.523   3.267
  193   2HG   GLN  27          2HG       GLN  27   4.975  -5.989   4.948
  194   1HE2  GLN  27          2HE2      GLN  27   2.625  -7.630   2.738
  195   2HE2  GLN  27          1HE2      GLN  27   2.037  -8.758   3.943
  196    H    VAL  28           H        VAL  28   2.984  -3.723   1.194
  197    HA   VAL  28           HA       VAL  28   4.769  -5.316  -0.423
  198    HB   VAL  28           HB       VAL  28   2.449  -3.455  -1.065
  199   1HG1  VAL  28          1HG2      VAL  28   3.958  -5.361  -2.911
  200   2HG1  VAL  28          2HG2      VAL  28   2.401  -4.598  -3.293
  201   3HG1  VAL  28          3HG2      VAL  28   3.840  -3.595  -3.080
  202   1HG2  VAL  28          1HG1      VAL  28   1.950  -5.578   0.246
  203   2HG2  VAL  28          2HG1      VAL  28   1.174  -5.501  -1.344
  204   3HG2  VAL  28          3HG1      VAL  28   2.628  -6.498  -1.103
  205    H    THR  29           H        THR  29   3.953  -1.825  -0.204
  206    HA   THR  29           HA       THR  29   5.721  -0.707  -1.865
  207    HB   THR  29           HB       THR  29   4.703   0.342   0.826
  208    HG1  THR  29           HG1      THR  29   2.676   0.563  -0.249
  209   1HG2  THR  29          1HG2      THR  29   4.590   1.352  -2.016
  210   2HG2  THR  29          2HG2      THR  29   4.078   2.231  -0.538
  211   3HG2  THR  29          3HG2      THR  29   5.826   1.840  -0.794
  212    H    ASN  30           H        ASN  30   6.215  -1.855   1.474
  213    HA   ASN  30           HA       ASN  30   8.830  -0.681   1.810
  214   1HB   ASN  30          1HB       ASN  30   7.297  -1.639   3.641
  215   2HB   ASN  30          2HB       ASN  30   7.955  -3.203   3.213
  216   1HD2  ASN  30          2HD2      ASN  30  10.384  -3.446   3.256
  217   2HD2  ASN  30          1HD2      ASN  30  11.261  -2.523   4.459
  218    H    SER  31           H        SER  31   7.585  -3.835   0.817
  219    HA   SER  31           HA       SER  31  10.095  -5.190   0.466
  220   1HB   SER  31          1HB       SER  31   7.426  -5.717  -0.926
  221   2HB   SER  31          2HB       SER  31   8.815  -6.811  -0.865
  222    HG   SER  31           HG       SER  31   7.236  -7.243   0.753
  223    H    ALA  32           H        ALA  32   8.229  -2.995  -1.548
  224    HA   ALA  32           HA       ALA  32  10.043  -3.274  -3.859
  225   1HB   ALA  32          1HB       ALA  32   7.720  -2.832  -4.247
  226   2HB   ALA  32          2HB       ALA  32   7.848  -1.278  -3.372
  227   3HB   ALA  32          3HB       ALA  32   8.766  -1.545  -4.881
  228    H    THR  33           H        THR  33   9.795  -1.220  -0.950
  229    HA   THR  33           HA       THR  33  11.688   0.740  -1.883
  230    HB   THR  33           HB       THR  33  10.103   0.397   0.417
  231    HG1  THR  33           HG1      THR  33  10.609   2.317  -0.631
  232   1HG2  THR  33          1HG2      THR  33  12.998   0.594   1.353
  233   2HG2  THR  33          2HG2      THR  33  11.536   0.717   2.341
  234   3HG2  THR  33          3HG2      THR  33  11.975  -0.822   1.617
  235    H    ILE  34           H        ILE  34  11.901  -2.504  -0.525
  236    HA   ILE  34           HA       ILE  34  14.731  -2.425   0.029
  237    HB   ILE  34           HB       ILE  34  12.892  -4.750  -0.621
  238   1HG1  ILE  34          1HG1      ILE  34  12.361  -3.752   1.528
  239   2HG1  ILE  34          2HG1      ILE  34  13.085  -5.346   1.711
  240   1HG2  ILE  34          1HG2      ILE  34  15.815  -4.681   0.098
  241   2HG2  ILE  34          2HG2      ILE  34  14.828  -6.135   0.354
  242   3HG2  ILE  34          3HG2      ILE  34  15.056  -5.499  -1.279
  243   1HD1  ILE  34          1HD1      ILE  34  15.284  -4.220   2.274
  244   2HD1  ILE  34          2HD1      ILE  34  14.416  -2.664   2.237
  245   3HD1  ILE  34          3HD1      ILE  34  13.970  -3.902   3.414
  246    H    MET  35           H        MET  35  12.792  -2.815  -2.901
  247    HA   MET  35           HA       MET  35  14.932  -3.700  -4.658
  248   1HB   MET  35          1HB       MET  35  12.327  -2.409  -5.430
  249   2HB   MET  35          2HB       MET  35  13.428  -3.339  -6.424
  250   1HG   MET  35          1HG       MET  35  11.917  -4.365  -3.998
  251   2HG   MET  35          2HG       MET  35  11.505  -4.585  -5.664
  252   1HE   MET  35          1HE       MET  35  12.863  -6.051  -7.353
  253   2HE   MET  35          2HE       MET  35  14.467  -5.369  -6.982
  254   3HE   MET  35          3HE       MET  35  14.212  -7.124  -6.917
  255    H    MET  36           H        MET  36  13.320  -0.527  -3.889
  256    HA   MET  36           HA       MET  36  14.805   0.918  -5.858
  257   1HB   MET  36          1HB       MET  36  13.548   2.720  -5.210
  258   2HB   MET  36          2HB       MET  36  12.539   1.401  -4.621
  259   1HG   MET  36          1HG       MET  36  12.484   2.816  -2.883
  260   2HG   MET  36          2HG       MET  36  13.782   1.783  -2.360
  261   1HE   MET  36          1HE       MET  36  13.368   4.346  -0.837
  262   2HE   MET  36          2HE       MET  36  14.773   3.287  -0.568
  263   3HE   MET  36          3HE       MET  36  15.006   5.039  -0.767
  264    H    GLN  37           H        GLN  37  15.296   0.110  -2.466
  265    HA   GLN  37           HA       GLN  37  17.628   1.644  -1.943
  266   1HB   GLN  37          1HB       GLN  37  16.065   0.827  -0.224
  267   2HB   GLN  37          2HB       GLN  37  16.328  -0.852  -0.744
  268   1HG   GLN  37          1HG       GLN  37  18.531  -0.863  -0.030
  269   2HG   GLN  37          2HG       GLN  37  18.524   0.918   0.221
  270   1HE2  GLN  37          2HE2      GLN  37  16.239  -1.692   1.236
  271   2HE2  GLN  37          1HE2      GLN  37  16.282  -1.293   2.940
  272    H    ARG  38           H        ARG  38  16.960  -1.686  -3.202
  273    HA   ARG  38           HA       ARG  38  19.667  -2.545  -3.310
  274   1HB   ARG  38          1HB       ARG  38  17.069  -3.552  -3.958
  275   2HB   ARG  38          2HB       ARG  38  17.961  -3.631  -5.389
  276   1HG   ARG  38          1HG       ARG  38  18.383  -5.695  -4.363
  277   2HG   ARG  38          2HG       ARG  38  19.812  -4.809  -3.829
  278   1HD   ARG  38          1HD       ARG  38  17.210  -5.199  -2.246
  279   2HD   ARG  38          2HD       ARG  38  18.682  -6.152  -2.037
  280    HE   ARG  38           HE       ARG  38  19.233  -3.351  -1.688
  281   1HH1  ARG  38          1HH1      ARG  38  17.727  -6.092  -0.015
  282   2HH1  ARG  38          2HH1      ARG  38  18.126  -5.492   1.575
  283   1HH2  ARG  38          1HH2      ARG  38  19.805  -2.613   0.391
  284   2HH2  ARG  38          2HH2      ARG  38  19.290  -3.491   1.803
  285    H    GLY  39           H        GLY  39  20.996  -1.251  -4.092
  286   1HA   GLY  39          1HA       GLY  39  22.189  -0.730  -6.288
  287   2HA   GLY  39          2HA       GLY  39  20.703   0.144  -6.728
  288    H    ASN  40           H        ASN  40  19.865   1.485  -4.664
  289    HA   ASN  40           HA       ASN  40  21.940   3.463  -3.980
  290   1HB   ASN  40          1HB       ASN  40  18.961   3.340  -3.340
  291   2HB   ASN  40          2HB       ASN  40  20.044   4.706  -3.034
  292   1HD2  ASN  40          2HD2      ASN  40  18.052   3.107  -5.395
  293   2HD2  ASN  40          1HD2      ASN  40  18.422   4.171  -6.737
  294    H    PHE  41           H        PHE  41  22.899   1.380  -2.930
  295    HA   PHE  41           HA       PHE  41  22.747   1.550  -0.058
  296   1HB   PHE  41          1HB       PHE  41  20.738   0.199  -0.535
  297   2HB   PHE  41          2HB       PHE  41  21.679  -0.961  -1.445
  298    HD1  PHE  41           HD1      PHE  41  23.067  -2.628  -0.270
  299    HD2  PHE  41           HD2      PHE  41  20.814   0.340   1.904
  300    HE1  PHE  41           HE1      PHE  41  23.167  -4.038   1.767
  301    HE2  PHE  41           HE2      PHE  41  20.899  -1.083   3.931
  302    HZ   PHE  41           HZ       PHE  41  22.047  -3.289   3.857
  303    H    ARG  42           H        ARG  42  23.377  -0.611  -2.780
  304    HA   ARG  42           HA       ARG  42  25.905  -1.661  -1.986
  305   1HB   ARG  42          1HB       ARG  42  24.327  -2.572  -3.728
  306   2HB   ARG  42          2HB       ARG  42  24.746  -1.230  -4.766
  307   1HG   ARG  42          1HG       ARG  42  25.980  -3.180  -5.463
  308   2HG   ARG  42          2HG       ARG  42  27.111  -1.965  -4.854
  309   1HD   ARG  42          1HD       ARG  42  27.339  -3.197  -2.736
  310   2HD   ARG  42          2HD       ARG  42  26.080  -4.347  -3.251
  311    HE   ARG  42           HE       ARG  42  28.143  -4.293  -5.202
  312   1HH1  ARG  42          1HH1      ARG  42  27.630  -5.362  -1.856
  313   2HH1  ARG  42          2HH1      ARG  42  28.818  -6.637  -1.947
  314   1HH2  ARG  42          1HH2      ARG  42  29.699  -5.970  -5.309
  315   2HH2  ARG  42          2HH2      ARG  42  30.000  -6.983  -3.921
  316    H    ASN  43           H        ASN  43  24.846   0.968  -4.073
  317    HA   ASN  43           HA       ASN  43  27.387   2.052  -4.825
  318   1HB   ASN  43          1HB       ASN  43  25.270   2.514  -6.025
  319   2HB   ASN  43          2HB       ASN  43  24.627   3.334  -4.596
  320   1HD2  ASN  43          2HD2      ASN  43  27.348   3.472  -6.960
  321   2HD2  ASN  43          1HD2      ASN  43  27.541   5.210  -6.874
  322    H    GLN  44           H        GLN  44  25.011   2.817  -2.278
  323    HA   GLN  44           HA       GLN  44  26.318   4.866  -1.095
  324   1HB   GLN  44          1HB       GLN  44  24.386   2.923   0.071
  325   2HB   GLN  44          2HB       GLN  44  24.786   4.457   0.820
  326   1HG   GLN  44          1HG       GLN  44  23.771   4.318  -2.044
  327   2HG   GLN  44          2HG       GLN  44  22.755   4.311  -0.664
  328   1HE2  GLN  44          2HE2      GLN  44  22.233   6.336  -2.285
  329   2HE2  GLN  44          1HE2      GLN  44  22.921   7.848  -1.733
  330    H    ARG  45           H        ARG  45  26.715   4.540   1.465
  331    HA   ARG  45           HA       ARG  45  28.181   3.877   3.121
  332   1HB   ARG  45          1HB       ARG  45  27.301   1.127   2.134
  333   2HB   ARG  45          2HB       ARG  45  28.012   1.491   3.714
  334   1HG   ARG  45          1HG       ARG  45  26.080   2.846   4.340
  335   2HG   ARG  45          2HG       ARG  45  25.390   2.711   2.714
  336   1HD   ARG  45          1HD       ARG  45  24.251   1.174   4.191
  337   2HD   ARG  45          2HD       ARG  45  25.157   0.296   2.943
  338    HE   ARG  45           HE       ARG  45  26.708   0.652   5.358
  339   1HH1  ARG  45          1HH1      ARG  45  24.111  -1.325   3.957
  340   2HH1  ARG  45          2HH1      ARG  45  24.440  -2.703   4.975
  341   1HH2  ARG  45          1HH2      ARG  45  27.129  -1.164   6.686
  342   2HH2  ARG  45          2HH2      ARG  45  26.162  -2.609   6.538
  343    H    LYS  46           H        LYS  46  29.696   4.746   1.060
  344    HA   LYS  46           HA       LYS  46  31.769   2.781   0.307
  345   1HB   LYS  46          1HB       LYS  46  30.105   3.967  -1.297
  346   2HB   LYS  46          2HB       LYS  46  30.906   5.425  -0.906
  347   1HG   LYS  46          1HG       LYS  46  31.797   4.499  -2.934
  348   2HG   LYS  46          2HG       LYS  46  33.073   4.339  -1.731
  349   1HD   LYS  46          1HD       LYS  46  32.910   2.399  -3.177
  350   2HD   LYS  46          2HD       LYS  46  32.633   1.920  -1.515
  351   1HE   LYS  46          1HE       LYS  46  30.341   2.480  -3.462
  352   2HE   LYS  46          2HE       LYS  46  31.162   0.919  -3.393
  353   1HZ   LYS  46          1HZ       LYS  46  30.559   0.727  -1.092
  354   2HZ   LYS  46          2HZ       LYS  46  29.689   2.122  -1.157
  355   3HZ   LYS  46          3HZ       LYS  46  29.241   0.849  -2.074
  356    H    ILE  47           H        ILE  47  32.630   5.498  -0.066
  357    HA   ILE  47           HA       ILE  47  34.343   5.827   2.363
  358    HB   ILE  47           HB       ILE  47  34.309   7.607  -0.110
  359   1HG1  ILE  47          1HG1      ILE  47  36.121   5.246   0.592
  360   2HG1  ILE  47          2HG1      ILE  47  34.910   5.273  -0.694
  361   1HG2  ILE  47          1HG2      ILE  47  35.306   8.593   2.030
  362   2HG2  ILE  47          2HG2      ILE  47  36.444   7.240   2.049
  363   3HG2  ILE  47          3HG2      ILE  47  36.462   8.420   0.721
  364   1HD1  ILE  47          1HD1      ILE  47  36.150   7.156  -1.790
  365   2HD1  ILE  47          2HD1      ILE  47  37.461   6.908  -0.609
  366   3HD1  ILE  47          3HD1      ILE  47  37.019   5.610  -1.724
  367    H    VAL  48           H        VAL  48  32.127   5.894   3.415
  368    HA   VAL  48           HA       VAL  48  31.208   8.661   3.895
  369    HB   VAL  48           HB       VAL  48  29.383   6.308   3.182
  370   1HG1  VAL  48          1HG2      VAL  48  28.738   9.204   3.894
  371   2HG1  VAL  48          2HG2      VAL  48  27.564   7.988   3.349
  372   3HG1  VAL  48          3HG2      VAL  48  28.390   7.780   4.897
  373   1HG2  VAL  48          1HG1      VAL  48  29.977   8.859   1.624
  374   2HG2  VAL  48          2HG1      VAL  48  30.347   7.193   1.117
  375   3HG2  VAL  48          3HG1      VAL  48  28.669   7.717   1.254
  Start of MODEL   18
    1   1H    LEU   1          1H        LEU   1 -36.910   9.017  -4.940
    2   2H    LEU   1          2H        LEU   1 -37.711   7.930  -5.943
    3    HA   LEU   1           HA       LEU   1 -35.891   6.955  -6.567
    4   1HB   LEU   1          1HB       LEU   1 -34.463   9.049  -4.862
    5   2HB   LEU   1          2HB       LEU   1 -33.747   8.074  -6.138
    6    HG   LEU   1           HG       LEU   1 -34.002  10.130  -7.093
    7   1HD1  LEU   1          1HD1      LEU   1 -34.832   8.289  -8.539
    8   2HD1  LEU   1          2HD1      LEU   1 -36.499   8.682  -8.054
    9   3HD1  LEU   1          3HD1      LEU   1 -35.529   9.869  -8.941
   10   1HD2  LEU   1          1HD2      LEU   1 -35.507  11.151  -5.402
   11   2HD2  LEU   1          2HD2      LEU   1 -35.866  11.601  -7.076
   12   3HD2  LEU   1          3HD2      LEU   1 -36.902  10.442  -6.243
   13    H    GLU   2           H        GLU   2 -33.930   5.676  -6.003
   14    HA   GLU   2           HA       GLU   2 -34.437   4.055  -3.655
   15   1HB   GLU   2          1HB       GLU   2 -32.303   3.941  -5.840
   16   2HB   GLU   2          2HB       GLU   2 -32.559   2.748  -4.567
   17   1HG   GLU   2          1HG       GLU   2 -33.605   1.859  -6.478
   18   2HG   GLU   2          2HG       GLU   2 -34.894   2.381  -5.388
   19    HE2  GLU   2           HE2      GLU   2 -36.246   3.656  -8.367
   20    H    GLU   3           H        GLU   3 -34.072   6.155  -2.349
   21    HA   GLU   3           HA       GLU   3 -31.416   6.990  -1.969
   22   1HB   GLU   3          1HB       GLU   3 -32.393   8.571  -0.355
   23   2HB   GLU   3          2HB       GLU   3 -33.484   8.443  -1.748
   24   1HG   GLU   3          1HG       GLU   3 -34.726   6.645  -0.559
   25   2HG   GLU   3          2HG       GLU   3 -33.670   6.815   0.816
   26    HE2  GLU   3           HE2      GLU   3 -35.095   9.922   1.850
   27    H    MET   4           H        MET   4 -32.100   4.366  -1.278
   28    HA   MET   4           HA       MET   4 -31.336   3.771   1.463
   29   1HB   MET   4          1HB       MET   4 -31.408   2.099  -1.096
   30   2HB   MET   4          2HB       MET   4 -31.020   1.471   0.509
   31   1HG   MET   4          1HG       MET   4 -33.240   2.144   1.342
   32   2HG   MET   4          2HG       MET   4 -33.630   2.853  -0.228
   33   1HE   MET   4          1HE       MET   4 -33.085  -0.369   1.838
   34   2HE   MET   4          2HE       MET   4 -33.382  -1.670   0.663
   35   3HE   MET   4          3HE       MET   4 -31.890  -0.714   0.563
   36    H    MET   5           H        MET   5 -29.757   3.650  -1.717
   37    HA   MET   5           HA       MET   5 -27.099   3.077  -0.844
   38   1HB   MET   5          1HB       MET   5 -28.208   4.427  -3.344
   39   2HB   MET   5          2HB       MET   5 -26.531   3.905  -3.137
   40   1HG   MET   5          1HG       MET   5 -27.259   1.578  -2.821
   41   2HG   MET   5          2HG       MET   5 -28.947   2.048  -3.041
   42   1HE   MET   5          1HE       MET   5 -30.087   2.598  -5.225
   43   2HE   MET   5          2HE       MET   5 -29.043   4.013  -5.501
   44   3HE   MET   5          3HE       MET   5 -29.270   2.813  -6.789
   45    H    THR   6           H        THR   6 -28.971   6.026  -1.301
   46    HA   THR   6           HA       THR   6 -26.791   7.892  -1.056
   47    HB   THR   6           HB       THR   6 -29.773   8.305  -0.587
   48    HG1  THR   6           HG1      THR   6 -29.197   7.503  -2.678
   49   1HG2  THR   6          1HG2      THR   6 -29.270  10.657  -1.193
   50   2HG2  THR   6          2HG2      THR   6 -28.476  10.178   0.315
   51   3HG2  THR   6          3HG2      THR   6 -27.534  10.277  -1.192
   52    H    ALA   7           H        ALA   7 -28.995   6.316   1.208
   53    HA   ALA   7           HA       ALA   7 -28.095   7.800   3.539
   54   1HB   ALA   7          1HB       ALA   7 -29.711   5.234   3.315
   55   2HB   ALA   7          2HB       ALA   7 -29.414   6.158   4.802
   56   3HB   ALA   7          3HB       ALA   7 -30.335   6.885   3.473
   57    H    CYS   8           H        CYS   8 -27.830   4.316   2.860
   58    HA   CYS   8           HA       CYS   8 -25.404   4.162   4.553
   59   1HB   CYS   8          1HB       CYS   8 -25.738   1.756   4.540
   60   2HB   CYS   8          2HB       CYS   8 -27.148   2.635   5.143
   61    HG   CYS   8           HG       CYS   8 -26.727   1.482   2.077
   62    H    GLN   9           H        GLN   9 -24.492   5.509   2.755
   63    HA   GLN   9           HA       GLN   9 -23.624   4.490   0.284
   64   1HB   GLN   9          1HB       GLN   9 -22.305   6.416   2.243
   65   2HB   GLN   9          2HB       GLN   9 -21.771   6.143   0.577
   66   1HG   GLN   9          1HG       GLN   9 -23.929   6.921  -0.293
   67   2HG   GLN   9          2HG       GLN   9 -24.549   7.097   1.359
   68   1HE2  GLN   9          2HE2      GLN   9 -24.999   9.322   1.102
   69   2HE2  GLN   9          1HE2      GLN   9 -23.719  10.520   1.012
   70    H    GLY  10           H        GLY  10 -22.526   2.654  -0.081
   71   1HA   GLY  10          1HA       GLY  10 -20.930   1.024   0.031
   72   2HA   GLY  10          2HA       GLY  10 -19.987   2.063   1.112
   73    H    VAL  11           H        VAL  11 -23.198   0.416   1.306
   74    HA   VAL  11           HA       VAL  11 -22.975  -0.281   4.057
   75    HB   VAL  11           HB       VAL  11 -25.067   0.041   2.924
   76   1HG1  VAL  11          1HG1      VAL  11 -24.473  -1.157   0.835
   77   2HG1  VAL  11          2HG1      VAL  11 -24.558  -2.695   1.742
   78   3HG1  VAL  11          3HG1      VAL  11 -26.014  -1.678   1.567
   79   1HG2  VAL  11          1HG2      VAL  11 -24.944  -1.151   5.083
   80   2HG2  VAL  11          2HG2      VAL  11 -26.253  -1.770   4.062
   81   3HG2  VAL  11          3HG2      VAL  11 -24.748  -2.696   4.226
   82    H    GLY  12           H        GLY  12 -22.182  -1.898   1.044
   83   1HA   GLY  12          1HA       GLY  12 -21.018  -4.269   2.450
   84   2HA   GLY  12          2HA       GLY  12 -21.387  -4.128   0.726
   85    H    GLY  13           H        GLY  13 -19.737  -1.695   2.785
   86   1HA   GLY  13          1HA       GLY  13 -17.594  -1.330   0.909
   87   2HA   GLY  13          2HA       GLY  13 -17.726  -0.630   2.527
   88    HA   PRO  14           HA       PRO  14 -14.481  -4.164   2.448
   89   1HB   PRO  14          1HB       PRO  14 -12.217  -2.562   2.370
   90   2HB   PRO  14          2HB       PRO  14 -12.999  -3.311   0.961
   91   1HG   PRO  14          1HG       PRO  14 -13.208  -0.447   1.836
   92   2HG   PRO  14          2HG       PRO  14 -13.090  -1.128   0.201
   93   1HD   PRO  14          1HD       PRO  14 -15.457  -0.337   1.370
   94   2HD   PRO  14          2HD       PRO  14 -15.362  -1.629   0.138
   95    H    GLY  15           H        GLY  15 -13.381  -1.084   3.692
   96   1HA   GLY  15          1HA       GLY  15 -13.430  -0.005   5.699
   97   2HA   GLY  15          2HA       GLY  15 -14.450  -1.289   6.376
   98    H    HIS  16           H        HIS  16 -12.858  -3.420   5.795
   99    HA   HIS  16           HA       HIS  16 -10.393  -3.088   7.475
  100   1HB   HIS  16          1HB       HIS  16 -12.189  -4.592   8.545
  101   2HB   HIS  16          2HB       HIS  16 -12.030  -5.650   7.124
  102    HD1  HIS  16           HD1      HIS  16 -10.185  -4.565  10.258
  103    HD2  HIS  16           HD2      HIS  16  -9.706  -7.174   6.969
  104    HE1  HIS  16           HE1      HIS  16  -8.178  -6.070  10.763
  105    HE2  HIS  16           HE2      HIS  16  -7.872  -7.680   8.786
  106    H    LYS  17           H        LYS  17 -11.882  -4.622   4.576
  107    HA   LYS  17           HA       LYS  17  -9.442  -5.874   3.847
  108   1HB   LYS  17          1HB       LYS  17 -11.716  -6.320   2.851
  109   2HB   LYS  17          2HB       LYS  17 -11.561  -4.802   1.960
  110   1HG   LYS  17          1HG       LYS  17  -9.530  -5.637   0.829
  111   2HG   LYS  17          2HG       LYS  17  -9.623  -7.144   1.767
  112   1HD   LYS  17          1HD       LYS  17 -11.828  -7.639   0.739
  113   2HD   LYS  17          2HD       LYS  17 -11.729  -6.130  -0.196
  114   1HE   LYS  17          1HE       LYS  17  -9.655  -6.953  -1.298
  115   2HE   LYS  17          2HE       LYS  17  -9.758  -8.460  -0.366
  116   1HZ   LYS  17          1HZ       LYS  17 -11.751  -7.505  -2.301
  117   2HZ   LYS  17          2HZ       LYS  17 -10.653  -8.707  -2.553
  118   3HZ   LYS  17          3HZ       LYS  17 -11.846  -8.905  -1.434
  119    H    ALA  18           H        ALA  18 -10.605  -2.592   3.839
  120    HA   ALA  18           HA       ALA  18  -8.730  -1.341   2.062
  121   1HB   ALA  18          1HB       ALA  18 -10.360  -0.317   4.444
  122   2HB   ALA  18          2HB       ALA  18  -9.508   0.705   3.269
  123   3HB   ALA  18          3HB       ALA  18 -10.869  -0.307   2.747
  124    H    ARG  19           H        ARG  19  -8.900  -2.020   5.616
  125    HA   ARG  19           HA       ARG  19  -6.492  -0.619   6.252
  126   1HB   ARG  19          1HB       ARG  19  -8.526  -1.334   7.716
  127   2HB   ARG  19          2HB       ARG  19  -7.766  -2.903   7.823
  128   1HG   ARG  19          1HG       ARG  19  -7.221  -1.599   9.781
  129   2HG   ARG  19          2HG       ARG  19  -5.754  -1.935   8.862
  130   1HD   ARG  19          1HD       ARG  19  -5.938   0.425   9.793
  131   2HD   ARG  19          2HD       ARG  19  -5.597   0.317   8.075
  132    HE   ARG  19           HE       ARG  19  -7.575   1.329   7.578
  133   1HH1  ARG  19          1HH1      ARG  19  -7.773   0.227  10.949
  134   2HH1  ARG  19          2HH1      ARG  19  -9.326   0.972  11.227
  135   1HH2  ARG  19          1HH2      ARG  19  -9.610   2.283   7.955
  136   2HH2  ARG  19          2HH2      ARG  19 -10.373   2.146   9.517
  137    H    VAL  20           H        VAL  20  -7.315  -3.960   5.629
  138    HA   VAL  20           HA       VAL  20  -4.829  -5.117   6.392
  139    HB   VAL  20           HB       VAL  20  -7.346  -6.096   6.160
  140   1HG1  VAL  20          1HG1      VAL  20  -7.325  -5.993   3.692
  141   2HG1  VAL  20          2HG1      VAL  20  -6.150  -7.320   3.705
  142   3HG1  VAL  20          3HG1      VAL  20  -7.759  -7.539   4.434
  143   1HG2  VAL  20          1HG2      VAL  20  -5.466  -7.181   7.348
  144   2HG2  VAL  20          2HG2      VAL  20  -6.366  -8.355   6.371
  145   3HG2  VAL  20          3HG2      VAL  20  -4.801  -7.737   5.796
  146    H    LEU  21           H        LEU  21  -6.246  -4.028   3.323
  147    HA   LEU  21           HA       LEU  21  -4.062  -4.940   1.682
  148   1HB   LEU  21          1HB       LEU  21  -6.234  -4.322   0.691
  149   2HB   LEU  21          2HB       LEU  21  -6.086  -2.685   1.350
  150    HG   LEU  21           HG       LEU  21  -3.981  -2.371  -0.102
  151   1HD1  LEU  21          1HD1      LEU  21  -5.001  -4.982  -1.332
  152   2HD1  LEU  21          2HD1      LEU  21  -3.767  -3.916  -2.031
  153   3HD1  LEU  21          3HD1      LEU  21  -3.440  -4.763  -0.513
  154   1HD2  LEU  21          1HD2      LEU  21  -6.638  -3.009  -1.423
  155   2HD2  LEU  21          2HD2      LEU  21  -6.180  -1.473  -0.649
  156   3HD2  LEU  21          3HD2      LEU  21  -5.328  -2.012  -2.114
  157    H    ALA  22           H        ALA  22  -4.887  -1.733   3.221
  158    HA   ALA  22           HA       ALA  22  -2.640  -0.333   2.377
  159   1HB   ALA  22          1HB       ALA  22  -4.536   0.696   3.533
  160   2HB   ALA  22          2HB       ALA  22  -4.070  -0.098   5.053
  161   3HB   ALA  22          3HB       ALA  22  -3.005   1.119   4.322
  162    H    GLU  23           H        GLU  23  -2.899  -2.628   5.088
  163    HA   GLU  23           HA       GLU  23  -0.347  -2.140   6.263
  164   1HB   GLU  23          1HB       GLU  23  -2.465  -3.407   7.156
  165   2HB   GLU  23          2HB       GLU  23  -1.851  -4.777   6.260
  166   1HG   GLU  23          1HG       GLU  23  -1.109  -4.963   8.557
  167   2HG   GLU  23          2HG       GLU  23   0.291  -4.684   7.515
  168    HE2  GLU  23           HE2      GLU  23  -0.972  -1.702  10.007
  169    H    ALA  24           H        ALA  24  -1.566  -4.405   3.842
  170    HA   ALA  24           HA       ALA  24   0.976  -5.808   3.549
  171   1HB   ALA  24          1HB       ALA  24  -1.199  -6.926   3.006
  172   2HB   ALA  24          2HB       ALA  24  -1.454  -5.759   1.683
  173   3HB   ALA  24          3HB       ALA  24  -0.102  -6.901   1.608
  174    H    MET  25           H        MET  25  -0.608  -3.102   1.869
  175    HA   MET  25           HA       MET  25   1.087  -3.095  -0.430
  176   1HB   MET  25          1HB       MET  25  -0.665  -1.020   0.951
  177   2HB   MET  25          2HB       MET  25   0.279  -0.649  -0.495
  178   1HG   MET  25          1HG       MET  25  -1.703  -2.953  -0.375
  179   2HG   MET  25          2HG       MET  25  -2.126  -1.318  -0.842
  180   1HE   MET  25          1HE       MET  25  -1.465  -0.176  -3.022
  181   2HE   MET  25          2HE       MET  25   0.293  -0.347  -2.785
  182   3HE   MET  25          3HE       MET  25  -0.455  -0.884  -4.301
  183    H    SER  26           H        SER  26   0.986  -1.206   2.620
  184    HA   SER  26           HA       SER  26   3.372   0.214   2.238
  185   1HB   SER  26          1HB       SER  26   3.455   0.518   4.658
  186   2HB   SER  26          2HB       SER  26   1.805   0.722   4.039
  187    HG   SER  26           HG       SER  26   1.861  -0.574   5.910
  188    H    GLN  27           H        GLN  27   2.963  -3.118   3.350
  189    HA   GLN  27           HA       GLN  27   5.712  -3.535   4.130
  190   1HB   GLN  27          1HB       GLN  27   3.535  -4.789   4.875
  191   2HB   GLN  27          2HB       GLN  27   3.644  -5.648   3.346
  192   1HG   GLN  27          1HG       GLN  27   5.906  -6.460   3.938
  193   2HG   GLN  27          2HG       GLN  27   5.801  -5.606   5.490
  194   1HE2  GLN  27          2HE2      GLN  27   3.681  -6.159   6.782
  195   2HE2  GLN  27          1HE2      GLN  27   3.272  -7.861   6.837
  196    H    VAL  28           H        VAL  28   3.808  -4.188   1.195
  197    HA   VAL  28           HA       VAL  28   5.741  -5.881  -0.125
  198    HB   VAL  28           HB       VAL  28   3.298  -4.334  -1.030
  199   1HG1  VAL  28          1HG2      VAL  28   4.983  -6.296  -2.637
  200   2HG1  VAL  28          2HG2      VAL  28   3.357  -5.743  -3.093
  201   3HG1  VAL  28          3HG2      VAL  28   4.689  -4.584  -3.016
  202   1HG2  VAL  28          1HG1      VAL  28   3.236  -6.505   0.542
  203   2HG2  VAL  28          2HG1      VAL  28   2.074  -6.269  -0.777
  204   3HG2  VAL  28          3HG1      VAL  28   3.481  -7.336  -0.985
  205    H    THR  29           H        THR  29   4.646  -2.454  -0.505
  206    HA   THR  29           HA       THR  29   6.411  -1.499  -2.312
  207    HB   THR  29           HB       THR  29   4.868  -0.412   0.097
  208    HG1  THR  29           HG1      THR  29   4.178  -0.822  -2.651
  209   1HG2  THR  29          1HG2      THR  29   4.527   1.531  -1.152
  210   2HG2  THR  29          2HG2      THR  29   6.269   1.254  -0.758
  211   3HG2  THR  29          3HG2      THR  29   5.646   0.918  -2.435
  212    H    ASN  30           H        ASN  30   6.754  -1.967   1.212
  213    HA   ASN  30           HA       ASN  30   9.266  -0.558   1.439
  214   1HB   ASN  30          1HB       ASN  30   7.623  -1.333   3.316
  215   2HB   ASN  30          2HB       ASN  30   8.534  -2.822   3.290
  216   1HD2  ASN  30          2HD2      ASN  30  11.124  -2.289   3.170
  217   2HD2  ASN  30          1HD2      ASN  30  11.622  -1.160   4.413
  218    H    SER  31           H        SER  31   8.297  -3.911   0.900
  219    HA   SER  31           HA       SER  31  10.906  -5.100   1.066
  220   1HB   SER  31          1HB       SER  31   8.759  -6.377   1.176
  221   2HB   SER  31          2HB       SER  31   8.548  -6.125  -0.569
  222    HG   SER  31           HG       SER  31  10.611  -7.145  -0.832
  223    H    ALA  32           H        ALA  32   9.073  -3.548  -1.524
  224    HA   ALA  32           HA       ALA  32  11.078  -4.041  -3.596
  225   1HB   ALA  32          1HB       ALA  32   8.713  -3.704  -4.171
  226   2HB   ALA  32          2HB       ALA  32   8.776  -2.051  -3.513
  227   3HB   ALA  32          3HB       ALA  32   9.753  -2.484  -4.934
  228    H    THR  33           H        THR  33  10.421  -1.455  -1.189
  229    HA   THR  33           HA       THR  33  12.393   0.341  -2.307
  230    HB   THR  33           HB       THR  33  10.494   0.448  -0.184
  231    HG1  THR  33           HG1      THR  33  11.037   2.078  -1.640
  232   1HG2  THR  33          1HG2      THR  33  13.251   1.067   0.961
  233   2HG2  THR  33          2HG2      THR  33  11.681   1.358   1.723
  234   3HG2  THR  33          3HG2      THR  33  12.236  -0.290   1.472
  235    H    ILE  34           H        ILE  34  12.493  -2.452  -0.138
  236    HA   ILE  34           HA       ILE  34  15.214  -2.043   0.683
  237    HB   ILE  34           HB       ILE  34  13.253  -4.322   0.776
  238   1HG1  ILE  34          1HG1      ILE  34  15.054  -2.879   2.786
  239   2HG1  ILE  34          2HG1      ILE  34  13.346  -2.526   2.476
  240   1HG2  ILE  34          1HG2      ILE  34  16.237  -4.551   1.119
  241   2HG2  ILE  34          2HG2      ILE  34  15.116  -5.770   1.749
  242   3HG2  ILE  34          3HG2      ILE  34  15.240  -5.504   0.017
  243   1HD1  ILE  34          1HD1      ILE  34  12.852  -4.933   3.121
  244   2HD1  ILE  34          2HD1      ILE  34  14.539  -5.024   3.705
  245   3HD1  ILE  34          3HD1      ILE  34  13.421  -3.855   4.424
  246    H    MET  35           H        MET  35  13.637  -3.554  -2.159
  247    HA   MET  35           HA       MET  35  16.076  -4.740  -3.203
  248   1HB   MET  35          1HB       MET  35  14.892  -5.874  -4.457
  249   2HB   MET  35          2HB       MET  35  13.573  -5.311  -3.439
  250   1HG   MET  35          1HG       MET  35  12.857  -4.956  -5.348
  251   2HG   MET  35          2HG       MET  35  13.452  -3.327  -5.157
  252   1HE   MET  35          1HE       MET  35  12.507  -4.200  -7.972
  253   2HE   MET  35          2HE       MET  35  13.316  -2.642  -7.670
  254   3HE   MET  35          3HE       MET  35  13.851  -3.677  -9.015
  255    H    MET  36           H        MET  36  14.382  -1.578  -3.612
  256    HA   MET  36           HA       MET  36  16.060  -0.799  -5.809
  257   1HB   MET  36          1HB       MET  36  14.679   0.985  -5.929
  258   2HB   MET  36          2HB       MET  36  13.664  -0.027  -4.926
  259   1HG   MET  36          1HG       MET  36  13.492   1.937  -3.914
  260   2HG   MET  36          2HG       MET  36  14.686   1.201  -2.914
  261   1HE   MET  36          1HE       MET  36  13.985   3.838  -5.628
  262   2HE   MET  36          2HE       MET  36  15.522   4.720  -5.774
  263   3HE   MET  36          3HE       MET  36  15.370   3.098  -6.472
  264    H    GLN  37           H        GLN  37  16.054  -0.296  -2.296
  265    HA   GLN  37           HA       GLN  37  18.317   1.314  -1.972
  266   1HB   GLN  37          1HB       GLN  37  16.571   1.031  -0.325
  267   2HB   GLN  37          2HB       GLN  37  16.849  -0.724  -0.248
  268   1HG   GLN  37          1HG       GLN  37  18.939  -0.469   0.737
  269   2HG   GLN  37          2HG       GLN  37  18.919   1.303   0.417
  270   1HE2  GLN  37          2HE2      GLN  37  16.533  -0.980   1.908
  271   2HE2  GLN  37          1HE2      GLN  37  16.344  -0.064   3.388
  272    H    ARG  38           H        ARG  38  17.879  -2.248  -2.281
  273    HA   ARG  38           HA       ARG  38  20.650  -2.935  -1.892
  274   1HB   ARG  38          1HB       ARG  38  18.076  -4.261  -2.297
  275   2HB   ARG  38          2HB       ARG  38  19.192  -4.836  -3.413
  276   1HG   ARG  38          1HG       ARG  38  19.304  -6.249  -1.482
  277   2HG   ARG  38          2HG       ARG  38  20.795  -5.294  -1.417
  278   1HD   ARG  38          1HD       ARG  38  19.795  -3.810   0.280
  279   2HD   ARG  38          2HD       ARG  38  18.216  -4.577   0.034
  280    HE   ARG  38           HE       ARG  38  20.305  -6.421   0.854
  281   1HH1  ARG  38          1HH1      ARG  38  17.859  -4.169   2.144
  282   2HH1  ARG  38          2HH1      ARG  38  17.571  -5.124   3.576
  283   1HH2  ARG  38          1HH2      ARG  38  19.977  -7.583   2.772
  284   2HH2  ARG  38          2HH2      ARG  38  18.829  -7.029   3.962
  285    H    GLY  39           H        GLY  39  21.437  -1.354  -3.146
  286   1HA   GLY  39          1HA       GLY  39  22.754  -1.594  -5.448
  287   2HA   GLY  39          2HA       GLY  39  21.135  -1.248  -6.100
  288    H    ASN  40           H        ASN  40  19.976   0.633  -4.799
  289    HA   ASN  40           HA       ASN  40  21.665   3.015  -4.962
  290   1HB   ASN  40          1HB       ASN  40  18.737   2.699  -4.204
  291   2HB   ASN  40          2HB       ASN  40  19.577   4.224  -4.491
  292   1HD2  ASN  40          2HD2      ASN  40  20.815   4.299  -6.708
  293   2HD2  ASN  40          1HD2      ASN  40  19.881   3.729  -8.077
  294    H    PHE  41           H        PHE  41  22.956   1.776  -3.212
  295    HA   PHE  41           HA       PHE  41  22.941   3.354  -0.871
  296   1HB   PHE  41          1HB       PHE  41  21.091   1.640  -0.329
  297   2HB   PHE  41          2HB       PHE  41  22.312   0.391  -0.382
  298    HD1  PHE  41           HD1      PHE  41  24.319   0.585   1.285
  299    HD2  PHE  41           HD2      PHE  41  20.613   2.769   1.671
  300    HE1  PHE  41           HE1      PHE  41  24.751   0.915   3.704
  301    HE2  PHE  41           HE2      PHE  41  21.022   3.018   4.098
  302    HZ   PHE  41           HZ       PHE  41  23.118   2.136   5.109
  303    H    ARG  42           H        ARG  42  23.713   0.144  -2.169
  304    HA   ARG  42           HA       ARG  42  26.330  -0.073  -1.091
  305   1HB   ARG  42          1HB       ARG  42  24.744  -1.872  -1.941
  306   2HB   ARG  42          2HB       ARG  42  25.291  -1.499  -3.565
  307   1HG   ARG  42          1HG       ARG  42  27.284  -2.113  -1.353
  308   2HG   ARG  42          2HG       ARG  42  26.439  -3.422  -2.174
  309   1HD   ARG  42          1HD       ARG  42  27.406  -2.998  -4.253
  310   2HD   ARG  42          2HD       ARG  42  27.947  -1.381  -3.846
  311    HE   ARG  42           HE       ARG  42  29.256  -3.906  -3.229
  312   1HH1  ARG  42          1HH2      ARG  42  29.075  -0.444  -2.361
  313   2HH1  ARG  42          2HH2      ARG  42  30.635  -0.451  -1.585
  314   1HH2  ARG  42          1HH1      ARG  42  31.295  -3.863  -2.203
  315   2HH2  ARG  42          2HH1      ARG  42  31.897  -2.387  -1.494
  316    H    ASN  43           H        ASN  43  25.103   0.786  -4.295
  317    HA   ASN  43           HA       ASN  43  27.646   1.192  -5.565
  318   1HB   ASN  43          1HB       ASN  43  25.536   0.705  -6.767
  319   2HB   ASN  43          2HB       ASN  43  24.887   2.279  -6.291
  320   1HD2  ASN  43          2HD2      ASN  43  25.829   4.232  -7.209
  321   2HD2  ASN  43          1HD2      ASN  43  26.780   4.145  -8.676
  322    H    GLN  44           H        GLN  44  25.208   3.349  -4.194
  323    HA   GLN  44           HA       GLN  44  26.325   5.779  -4.452
  324   1HB   GLN  44          1HB       GLN  44  24.826   4.829  -1.972
  325   2HB   GLN  44          2HB       GLN  44  24.963   6.483  -2.584
  326   1HG   GLN  44          1HG       GLN  44  23.839   5.631  -4.706
  327   2HG   GLN  44          2HG       GLN  44  23.445   4.163  -3.832
  328   1HE2  GLN  44          2HE2      GLN  44  22.974   5.506  -1.219
  329   2HE2  GLN  44          1HE2      GLN  44  21.436   6.319  -1.407
  330    H    ARG  45           H        ARG  45  26.692   3.370  -1.978
  331    HA   ARG  45           HA       ARG  45  28.170   2.758  -0.482
  332   1HB   ARG  45          1HB       ARG  45  29.982   3.500  -2.132
  333   2HB   ARG  45          2HB       ARG  45  30.129   4.983  -1.162
  334   1HG   ARG  45          1HG       ARG  45  30.389   3.488   0.890
  335   2HG   ARG  45          2HG       ARG  45  30.349   2.096  -0.206
  336   1HD   ARG  45          1HD       ARG  45  32.408   2.900  -1.305
  337   2HD   ARG  45          2HD       ARG  45  32.475   4.250  -0.142
  338    HE   ARG  45           HE       ARG  45  32.150   1.808   1.289
  339   1HH1  ARG  45          1HH1      ARG  45  34.690   3.449  -0.572
  340   2HH1  ARG  45          2HH1      ARG  45  35.982   2.649   0.289
  341   1HH2  ARG  45          1HH2      ARG  45  33.760   0.801   2.363
  342   2HH2  ARG  45          2HH2      ARG  45  35.452   1.104   2.005
  343    H    LYS  46           H        LYS  46  26.255   3.538   0.622
  344    HA   LYS  46           HA       LYS  46  26.493   5.995   2.209
  345   1HB   LYS  46          1HB       LYS  46  24.438   5.299   0.927
  346   2HB   LYS  46          2HB       LYS  46  24.237   3.954   2.048
  347   1HG   LYS  46          1HG       LYS  46  23.965   5.483   3.929
  348   2HG   LYS  46          2HG       LYS  46  24.408   6.879   2.924
  349   1HD   LYS  46          1HD       LYS  46  22.431   6.576   1.523
  350   2HD   LYS  46          2HD       LYS  46  21.960   5.129   2.421
  351   1HE   LYS  46          1HE       LYS  46  22.191   7.935   3.607
  352   2HE   LYS  46          2HE       LYS  46  20.682   7.168   3.082
  353   1HZ   LYS  46          1HZ       LYS  46  21.051   5.455   4.704
  354   2HZ   LYS  46          2HZ       LYS  46  22.435   6.185   5.220
  355   3HZ   LYS  46          3HZ       LYS  46  20.985   6.940   5.415
  356    H    ILE  47           H        ILE  47  28.440   4.468   2.664
  357    HA   ILE  47           HA       ILE  47  29.791   3.768   4.324
  358    HB   ILE  47           HB       ILE  47  27.392   3.921   6.201
  359   1HG1  ILE  47          1HG1      ILE  47  28.670   5.883   7.107
  360   2HG1  ILE  47          2HG1      ILE  47  29.757   5.808   5.719
  361   1HG2  ILE  47          1HG2      ILE  47  30.362   3.538   6.756
  362   2HG2  ILE  47          2HG2      ILE  47  29.112   3.835   7.979
  363   3HG2  ILE  47          3HG2      ILE  47  29.090   2.340   7.058
  364   1HD1  ILE  47          1HD1      ILE  47  26.744   6.247   5.501
  365   2HD1  ILE  47          2HD1      ILE  47  27.922   7.559   5.678
  366   3HD1  ILE  47          3HD1      ILE  47  27.979   6.541   4.243
  367    H    VAL  48           H        VAL  48  30.147   1.953   3.111
  368    HA   VAL  48           HA       VAL  48  29.422  -0.554   4.388
  369    HB   VAL  48           HB       VAL  48  28.886  -1.683   2.266
  370   1HG1  VAL  48          1HG2      VAL  48  27.034  -0.885   3.744
  371   2HG1  VAL  48          2HG2      VAL  48  26.911   0.577   2.733
  372   3HG1  VAL  48          3HG2      VAL  48  26.587  -1.016   2.035
  373   1HG2  VAL  48          1HG1      VAL  48  29.930  -0.094   0.675
  374   2HG2  VAL  48          2HG1      VAL  48  28.243  -0.432   0.266
  375   3HG2  VAL  48          3HG1      VAL  48  28.661   1.097   1.059
  Start of MODEL   19
    1   1H    LEU   1          1H        LEU   1 -33.683  -1.397   7.017
    2   2H    LEU   1          2H        LEU   1 -34.463  -2.214   8.262
    3    HA   LEU   1           HA       LEU   1 -32.494  -0.087   8.693
    4   1HB   LEU   1          1HB       LEU   1 -32.300  -1.054  10.941
    5   2HB   LEU   1          2HB       LEU   1 -33.881  -0.366  10.609
    6    HG   LEU   1           HG       LEU   1 -33.589  -3.325  10.113
    7   1HD1  LEU   1          1HD1      LEU   1 -33.713  -2.108  12.901
    8   2HD1  LEU   1          2HD1      LEU   1 -33.928  -3.827  12.503
    9   3HD1  LEU   1          3HD1      LEU   1 -32.363  -3.045  12.222
   10   1HD2  LEU   1          1HD2      LEU   1 -35.778  -2.159   9.764
   11   2HD2  LEU   1          2HD2      LEU   1 -35.857  -3.362  11.056
   12   3HD2  LEU   1          3HD2      LEU   1 -35.749  -1.638  11.459
   13    H    GLU   2           H        GLU   2 -31.643  -1.238   6.635
   14    HA   GLU   2           HA       GLU   2 -30.262  -3.756   7.006
   15   1HB   GLU   2          1HB       GLU   2 -30.309  -1.673   4.768
   16   2HB   GLU   2          2HB       GLU   2 -29.414  -3.193   4.732
   17   1HG   GLU   2          1HG       GLU   2 -31.390  -3.599   3.531
   18   2HG   GLU   2          2HG       GLU   2 -31.528  -4.466   5.061
   19    HE2  GLU   2           HE2      GLU   2 -34.790  -3.162   4.776
   20    H    GLU   3           H        GLU   3 -29.190  -2.873   8.996
   21    HA   GLU   3           HA       GLU   3 -27.175  -0.952   8.743
   22   1HB   GLU   3          1HB       GLU   3 -26.764  -1.411  11.129
   23   2HB   GLU   3          2HB       GLU   3 -28.512  -1.448  10.824
   24   1HG   GLU   3          1HG       GLU   3 -28.347  -3.910  10.453
   25   2HG   GLU   3          2HG       GLU   3 -26.636  -3.841  10.799
   26    HE2  GLU   3           HE2      GLU   3 -29.311  -3.341  13.854
   27    H    MET   4           H        MET   4 -26.899  -3.306   7.274
   28    HA   MET   4           HA       MET   4 -24.003  -3.984   7.646
   29   1HB   MET   4          1HB       MET   4 -25.434  -5.935   7.717
   30   2HB   MET   4          2HB       MET   4 -26.099  -5.537   6.126
   31   1HG   MET   4          1HG       MET   4 -24.305  -7.239   6.111
   32   2HG   MET   4          2HG       MET   4 -23.972  -5.872   5.052
   33   1HE   MET   4          1HE       MET   4 -23.151  -7.729   8.383
   34   2HE   MET   4          2HE       MET   4 -21.776  -6.806   9.027
   35   3HE   MET   4          3HE       MET   4 -23.400  -6.088   9.029
   36    H    MET   5           H        MET   5 -26.507  -3.251   5.230
   37    HA   MET   5           HA       MET   5 -24.737  -2.574   3.074
   38   1HB   MET   5          1HB       MET   5 -27.643  -1.829   3.639
   39   2HB   MET   5          2HB       MET   5 -26.794  -1.590   2.109
   40   1HG   MET   5          1HG       MET   5 -26.430  -4.025   1.909
   41   2HG   MET   5          2HG       MET   5 -27.304  -4.286   3.426
   42   1HE   MET   5          1HE       MET   5 -28.003  -5.864   0.825
   43   2HE   MET   5          2HE       MET   5 -28.895  -6.039   2.356
   44   3HE   MET   5          3HE       MET   5 -29.779  -5.774   0.836
   45    H    THR   6           H        THR   6 -26.324  -0.799   5.694
   46    HA   THR   6           HA       THR   6 -25.630   1.836   4.814
   47    HB   THR   6           HB       THR   6 -26.241   0.865   7.634
   48    HG1  THR   6           HG1      THR   6 -27.882   0.310   6.167
   49   1HG2  THR   6          1HG2      THR   6 -27.078   3.179   7.949
   50   2HG2  THR   6          2HG2      THR   6 -25.344   3.164   7.588
   51   3HG2  THR   6          3HG2      THR   6 -26.511   3.606   6.321
   52    H    ALA   7           H        ALA   7 -24.137  -0.552   6.949
   53    HA   ALA   7           HA       ALA   7 -21.943   1.070   7.854
   54   1HB   ALA   7          1HB       ALA   7 -22.238  -1.959   7.713
   55   2HB   ALA   7          2HB       ALA   7 -20.965  -1.079   8.583
   56   3HB   ALA   7          3HB       ALA   7 -22.657  -0.911   9.085
   57    H    CYS   8           H        CYS   8 -22.174  -1.478   5.390
   58    HA   CYS   8           HA       CYS   8 -19.582  -0.797   4.169
   59   1HB   CYS   8          1HB       CYS   8 -21.730  -2.818   3.373
   60   2HB   CYS   8          2HB       CYS   8 -20.123  -2.656   2.636
   61    HG   CYS   8           HG       CYS   8 -18.780  -3.035   4.841
   62    H    GLN   9           H        GLN   9 -20.707   1.447   4.102
   63    HA   GLN   9           HA       GLN   9 -22.737   2.042   2.284
   64   1HB   GLN   9          1HB       GLN   9 -21.779   3.483   4.164
   65   2HB   GLN   9          2HB       GLN   9 -20.429   3.861   3.104
   66   1HG   GLN   9          1HG       GLN   9 -22.110   5.644   3.069
   67   2HG   GLN   9          2HG       GLN   9 -21.947   4.904   1.473
   68   1HE2  GLN   9          2HE2      GLN   9 -23.812   3.795   4.403
   69   2HE2  GLN   9          1HE2      GLN   9 -25.363   3.834   3.595
   70    H    GLY  10           H        GLY  10 -19.226   2.071   1.828
   71   1HA   GLY  10          1HA       GLY  10 -17.891   2.076  -0.037
   72   2HA   GLY  10          2HA       GLY  10 -19.285   1.514  -0.976
   73    H    VAL  11           H        VAL  11 -18.824   4.540   0.908
   74    HA   VAL  11           HA       VAL  11 -19.902   6.221  -1.131
   75    HB   VAL  11           HB       VAL  11 -20.121   6.655   1.233
   76   1HG1  VAL  11          1HG1      VAL  11 -17.793   6.062   1.858
   77   2HG1  VAL  11          2HG1      VAL  11 -17.233   7.549   1.040
   78   3HG1  VAL  11          3HG1      VAL  11 -18.320   7.660   2.451
   79   1HG2  VAL  11          1HG2      VAL  11 -20.503   8.427  -0.453
   80   2HG2  VAL  11          2HG2      VAL  11 -19.849   9.079   1.059
   81   3HG2  VAL  11          3HG2      VAL  11 -18.792   8.898  -0.353
   82    H    GLY  12           H        GLY  12 -16.661   5.245  -0.201
   83   1HA   GLY  12          1HA       GLY  12 -15.119   7.034  -1.802
   84   2HA   GLY  12          2HA       GLY  12 -14.631   5.433  -1.215
   85    H    GLY  13           H        GLY  13 -16.567   3.808  -2.439
   86   1HA   GLY  13          1HA       GLY  13 -17.129   2.735  -4.355
   87   2HA   GLY  13          2HA       GLY  13 -17.110   4.332  -5.125
   88    HA   PRO  14           HA       PRO  14 -13.935   1.612  -7.344
   89   1HB   PRO  14          1HB       PRO  14 -14.901   3.659  -9.406
   90   2HB   PRO  14          2HB       PRO  14 -14.490   1.953  -9.634
   91   1HG   PRO  14          1HG       PRO  14 -17.091   2.681  -9.484
   92   2HG   PRO  14          2HG       PRO  14 -16.484   1.302  -8.512
   93   1HD   PRO  14          1HD       PRO  14 -16.906   4.107  -7.530
   94   2HD   PRO  14          2HD       PRO  14 -17.495   2.566  -6.834
   95    H    GLY  15           H        GLY  15 -14.655   4.962  -7.699
   96   1HA   GLY  15          1HA       GLY  15 -12.251   6.142  -8.464
   97   2HA   GLY  15          2HA       GLY  15 -13.438   6.972  -7.441
   98    H    HIS  16           H        HIS  16 -13.257   5.469  -5.053
   99    HA   HIS  16           HA       HIS  16 -10.553   6.256  -4.102
  100   1HB   HIS  16          1HB       HIS  16 -12.711   6.611  -2.711
  101   2HB   HIS  16          2HB       HIS  16 -12.764   4.836  -2.558
  102    HD1  HIS  16           HD1      HIS  16 -10.899   7.887  -1.311
  103    HD2  HIS  16           HD2      HIS  16 -10.881   3.684  -0.874
  104    HE1  HIS  16           HE1      HIS  16  -9.342   7.329   0.640
  105    HE2  HIS  16           HE2      HIS  16  -9.312   4.779   0.934
  106    H    LYS  17           H        LYS  17 -12.260   3.284  -4.995
  107    HA   LYS  17           HA       LYS  17 -10.362   1.555  -3.720
  108   1HB   LYS  17          1HB       LYS  17 -12.391   1.239  -5.911
  109   2HB   LYS  17          2HB       LYS  17 -11.183   0.010  -5.625
  110   1HG   LYS  17          1HG       LYS  17 -11.865  -0.059  -3.193
  111   2HG   LYS  17          2HG       LYS  17 -13.135   1.107  -3.560
  112   1HD   LYS  17          1HD       LYS  17 -14.063  -1.097  -3.450
  113   2HD   LYS  17          2HD       LYS  17 -14.178  -0.548  -5.125
  114   1HE   LYS  17          1HE       LYS  17 -11.731  -2.141  -4.296
  115   2HE   LYS  17          2HE       LYS  17 -13.272  -2.999  -4.396
  116   1HZ   LYS  17          1HZ       LYS  17 -12.088  -1.467  -6.596
  117   2HZ   LYS  17          2HZ       LYS  17 -12.086  -3.106  -6.442
  118   3HZ   LYS  17          3HZ       LYS  17 -13.508  -2.299  -6.642
  119    H    ALA  18           H        ALA  18 -10.314   3.529  -6.599
  120    HA   ALA  18           HA       ALA  18  -7.978   2.343  -7.820
  121   1HB   ALA  18          1HB       ALA  18  -9.648   3.722  -9.056
  122   2HB   ALA  18          2HB       ALA  18  -9.157   5.142  -8.116
  123   3HB   ALA  18          3HB       ALA  18  -7.998   4.361  -9.200
  124    H    ARG  19           H        ARG  19  -8.643   5.043  -5.475
  125    HA   ARG  19           HA       ARG  19  -5.898   5.909  -5.377
  126   1HB   ARG  19          1HB       ARG  19  -7.856   7.302  -4.894
  127   2HB   ARG  19          2HB       ARG  19  -8.203   6.343  -3.440
  128   1HG   ARG  19          1HG       ARG  19  -6.031   7.001  -2.468
  129   2HG   ARG  19          2HG       ARG  19  -5.645   7.937  -3.923
  130   1HD   ARG  19          1HD       ARG  19  -8.017   8.460  -2.059
  131   2HD   ARG  19          2HD       ARG  19  -6.475   9.306  -2.016
  132    HE   ARG  19           HE       ARG  19  -6.909  10.443  -3.969
  133   1HH1  ARG  19          1HH1      ARG  19  -9.602   8.204  -3.351
  134   2HH1  ARG  19          2HH1      ARG  19 -10.697   9.046  -4.418
  135   1HH2  ARG  19          1HH2      ARG  19  -8.343  11.498  -5.375
  136   2HH2  ARG  19          2HH2      ARG  19  -9.971  10.910  -5.586
  137    H    VAL  20           H        VAL  20  -7.864   3.633  -3.540
  138    HA   VAL  20           HA       VAL  20  -6.014   3.324  -1.378
  139    HB   VAL  20           HB       VAL  20  -8.662   2.966  -1.552
  140   1HG1  VAL  20          1HG1      VAL  20  -8.442   0.957  -3.032
  141   2HG1  VAL  20          2HG1      VAL  20  -7.847   0.079  -1.616
  142   3HG1  VAL  20          3HG1      VAL  20  -9.466   0.815  -1.596
  143   1HG2  VAL  20          1HG2      VAL  20  -7.355   3.055   0.532
  144   2HG2  VAL  20          2HG2      VAL  20  -8.546   1.744   0.587
  145   3HG2  VAL  20          3HG2      VAL  20  -6.834   1.373   0.289
  146    H    LEU  21           H        LEU  21  -6.672   1.605  -4.414
  147    HA   LEU  21           HA       LEU  21  -4.872  -0.575  -3.917
  148   1HB   LEU  21          1HB       LEU  21  -6.612  -0.605  -5.704
  149   2HB   LEU  21          2HB       LEU  21  -5.808   0.752  -6.499
  150    HG   LEU  21           HG       LEU  21  -3.683  -0.792  -6.610
  151   1HD1  LEU  21          1HD1      LEU  21  -5.905  -2.811  -5.971
  152   2HD1  LEU  21          2HD1      LEU  21  -4.350  -3.240  -6.687
  153   3HD1  LEU  21          3HD1      LEU  21  -4.406  -2.559  -5.051
  154   1HD2  LEU  21          1HD2      LEU  21  -6.191  -1.422  -8.174
  155   2HD2  LEU  21          2HD2      LEU  21  -5.012  -0.125  -8.509
  156   3HD2  LEU  21          3HD2      LEU  21  -4.513  -1.826  -8.643
  157    H    ALA  22           H        ALA  22  -4.587   2.518  -5.792
  158    HA   ALA  22           HA       ALA  22  -1.915   2.393  -6.476
  159   1HB   ALA  22          1HB       ALA  22  -3.453   4.123  -7.269
  160   2HB   ALA  22          2HB       ALA  22  -3.492   4.863  -5.654
  161   3HB   ALA  22          3HB       ALA  22  -1.984   4.849  -6.590
  162    H    GLU  23           H        GLU  23  -3.283   3.404  -3.330
  163    HA   GLU  23           HA       GLU  23  -0.868   4.304  -2.096
  164   1HB   GLU  23          1HB       GLU  23  -3.333   4.596  -1.414
  165   2HB   GLU  23          2HB       GLU  23  -3.239   2.974  -0.746
  166   1HG   GLU  23          1HG       GLU  23  -1.372   3.672   0.731
  167   2HG   GLU  23          2HG       GLU  23  -1.464   5.313   0.063
  168    HE2  GLU  23           HE2      GLU  23  -3.314   5.439   3.166
  169    H    ALA  24           H        ALA  24  -2.538   1.202  -2.284
  170    HA   ALA  24           HA       ALA  24  -0.707  -0.136  -0.473
  171   1HB   ALA  24          1HB       ALA  24  -3.061  -0.910  -0.729
  172   2HB   ALA  24          2HB       ALA  24  -2.725  -1.357  -2.420
  173   3HB   ALA  24          3HB       ALA  24  -1.901  -2.202  -1.097
  174    H    MET  25           H        MET  25  -0.880   0.243  -4.032
  175    HA   MET  25           HA       MET  25   1.273  -1.583  -4.549
  176   1HB   MET  25          1HB       MET  25  -0.148   0.672  -5.981
  177   2HB   MET  25          2HB       MET  25   0.879  -0.423  -6.765
  178   1HG   MET  25          1HG       MET  25  -1.689  -1.469  -5.584
  179   2HG   MET  25          2HG       MET  25  -1.363  -1.107  -7.268
  180   1HE   MET  25          1HE       MET  25  -2.224  -3.606  -7.711
  181   2HE   MET  25          2HE       MET  25  -1.385  -5.062  -7.129
  182   3HE   MET  25          3HE       MET  25  -2.289  -4.054  -5.980
  183    H    SER  26           H        SER  26   1.155   1.366  -3.008
  184    HA   SER  26           HA       SER  26   3.804   2.277  -4.044
  185   1HB   SER  26          1HB       SER  26   1.599   3.808  -2.627
  186   2HB   SER  26          2HB       SER  26   3.253   4.400  -2.858
  187    HG   SER  26           HG       SER  26   1.751   5.024  -4.521
  188    H    GLN  27           H        GLN  27   1.979   0.836  -1.431
  189    HA   GLN  27           HA       GLN  27   4.094   1.260   0.558
  190   1HB   GLN  27          1HB       GLN  27   1.508   1.465   0.914
  191   2HB   GLN  27          2HB       GLN  27   1.456  -0.281   0.757
  192   1HG   GLN  27          1HG       GLN  27   3.018  -0.519   2.682
  193   2HG   GLN  27          2HG       GLN  27   3.084   1.244   2.840
  194   1HE2  GLN  27          2HE2      GLN  27   0.843   2.343   3.077
  195   2HE2  GLN  27          1HE2      GLN  27  -0.305   1.523   4.116
  196    H    VAL  28           H        VAL  28   2.533  -1.461  -1.224
  197    HA   VAL  28           HA       VAL  28   3.902  -3.571   0.183
  198    HB   VAL  28           HB       VAL  28   2.448  -3.424  -2.476
  199   1HG1  VAL  28          1HG2      VAL  28   3.479  -5.869  -0.974
  200   2HG1  VAL  28          2HG2      VAL  28   2.337  -5.917  -2.334
  201   3HG1  VAL  28          3HG2      VAL  28   3.983  -5.326  -2.590
  202   1HG2  VAL  28          1HG1      VAL  28   1.101  -3.069  -0.303
  203   2HG2  VAL  28          2HG1      VAL  28   0.587  -4.415  -1.327
  204   3HG2  VAL  28          3HG1      VAL  28   1.554  -4.714   0.135
  205    H    THR  29           H        THR  29   4.270  -1.907  -2.905
  206    HA   THR  29           HA       THR  29   6.655  -3.045  -3.863
  207    HB   THR  29           HB       THR  29   5.094  -1.748  -5.055
  208    HG1  THR  29           HG1      THR  29   7.261  -2.049  -5.826
  209   1HG2  THR  29          1HG2      THR  29   5.202   0.626  -5.187
  210   2HG2  THR  29          2HG2      THR  29   4.556  -0.015  -3.643
  211   3HG2  THR  29          3HG2      THR  29   6.197   0.687  -3.724
  212    H    ASN  30           H        ASN  30   6.086  -0.409  -1.670
  213    HA   ASN  30           HA       ASN  30   8.834   0.405  -1.300
  214   1HB   ASN  30          1HB       ASN  30   6.874   1.833  -0.658
  215   2HB   ASN  30          2HB       ASN  30   6.560   0.690   0.623
  216   1HD2  ASN  30          2HD2      ASN  30   7.891   0.655   2.504
  217   2HD2  ASN  30          1HD2      ASN  30   9.101   1.885   2.798
  218    H    SER  31           H        SER  31   6.699  -1.920   0.310
  219    HA   SER  31           HA       SER  31   8.517  -2.618   2.441
  220   1HB   SER  31          1HB       SER  31   6.268  -4.297   1.254
  221   2HB   SER  31          2HB       SER  31   7.127  -4.599   2.769
  222    HG   SER  31           HG       SER  31   5.154  -3.448   3.052
  223    H    ALA  32           H        ALA  32   8.193  -3.577  -0.924
  224    HA   ALA  32           HA       ALA  32  10.236  -5.695  -0.744
  225   1HB   ALA  32          1HB       ALA  32   8.366  -5.942  -2.246
  226   2HB   ALA  32          2HB       ALA  32   8.868  -4.483  -3.141
  227   3HB   ALA  32          3HB       ALA  32   9.923  -5.921  -3.104
  228    H    THR  33           H        THR  33  10.092  -2.211  -1.546
  229    HA   THR  33           HA       THR  33  12.711  -2.084  -2.721
  230    HB   THR  33           HB       THR  33  10.635  -0.286  -2.333
  231    HG1  THR  33           HG1      THR  33  13.305   0.233  -3.074
  232   1HG2  THR  33          1HG2      THR  33  13.003   0.849  -0.773
  233   2HG2  THR  33          2HG2      THR  33  11.501   1.679  -1.210
  234   3HG2  THR  33          3HG2      THR  33  11.474   0.383  -0.025
  235    H    ILE  34           H        ILE  34  11.450  -2.152   0.569
  236    HA   ILE  34           HA       ILE  34  13.856  -1.489   1.934
  237    HB   ILE  34           HB       ILE  34  11.303  -2.906   2.664
  238   1HG1  ILE  34          1HG1      ILE  34  12.784  -0.386   3.565
  239   2HG1  ILE  34          2HG1      ILE  34  11.335  -0.472   2.551
  240   1HG2  ILE  34          1HG2      ILE  34  13.777  -2.702   4.377
  241   2HG2  ILE  34          2HG2      ILE  34  12.178  -3.191   4.990
  242   3HG2  ILE  34          3HG2      ILE  34  13.010  -4.218   3.850
  243   1HD1  ILE  34          1HD1      ILE  34  10.192  -1.619   4.528
  244   2HD1  ILE  34          2HD1      ILE  34  11.616  -1.139   5.495
  245   3HD1  ILE  34          3HD1      ILE  34  10.614   0.103   4.731
  246    H    MET  35           H        MET  35  12.621  -4.471   0.445
  247    HA   MET  35           HA       MET  35  14.482  -6.316   1.664
  248   1HB   MET  35          1HB       MET  35  13.014  -6.615  -0.957
  249   2HB   MET  35          2HB       MET  35  13.813  -7.871  -0.017
  250   1HG   MET  35          1HG       MET  35  11.496  -6.177   0.949
  251   2HG   MET  35          2HG       MET  35  11.417  -7.783   0.297
  252   1HE   MET  35          1HE       MET  35   9.928  -8.407   2.408
  253   2HE   MET  35          2HE       MET  35  10.478  -8.249   4.092
  254   3HE   MET  35          3HE       MET  35  10.150  -6.793   3.126
  255    H    MET  36           H        MET  36  14.435  -4.428  -1.352
  256    HA   MET  36           HA       MET  36  16.853  -5.455  -2.526
  257   1HB   MET  36          1HB       MET  36  15.390  -2.784  -2.827
  258   2HB   MET  36          2HB       MET  36  16.713  -3.319  -3.867
  259   1HG   MET  36          1HG       MET  36  14.084  -4.819  -3.519
  260   2HG   MET  36          2HG       MET  36  14.429  -3.641  -4.775
  261   1HE   MET  36          1HE       MET  36  13.613  -5.463  -6.533
  262   2HE   MET  36          2HE       MET  36  14.305  -7.097  -6.654
  263   3HE   MET  36          3HE       MET  36  13.356  -6.639  -5.221
  264    H    GLN  37           H        GLN  37  16.044  -2.579  -0.661
  265    HA   GLN  37           HA       GLN  37  18.565  -1.445  -0.205
  266   1HB   GLN  37          1HB       GLN  37  16.521  -0.229   0.036
  267   2HB   GLN  37          2HB       GLN  37  15.833  -1.461   1.093
  268   1HG   GLN  37          1HG       GLN  37  17.312  -0.938   2.866
  269   2HG   GLN  37          2HG       GLN  37  18.041   0.367   1.866
  270   1HE2  GLN  37          2HE2      GLN  37  16.133   1.864   0.878
  271   2HE2  GLN  37          1HE2      GLN  37  14.950   2.383   2.060
  272    H    ARG  38           H        ARG  38  16.928  -4.147   1.410
  273    HA   ARG  38           HA       ARG  38  18.714  -4.251   3.661
  274   1HB   ARG  38          1HB       ARG  38  16.207  -5.408   2.953
  275   2HB   ARG  38          2HB       ARG  38  17.270  -6.724   2.927
  276   1HG   ARG  38          1HG       ARG  38  16.281  -6.542   5.123
  277   2HG   ARG  38          2HG       ARG  38  17.943  -5.974   5.362
  278   1HD   ARG  38          1HD       ARG  38  17.184  -3.635   5.316
  279   2HD   ARG  38          2HD       ARG  38  15.587  -4.137   4.734
  280    HE   ARG  38           HE       ARG  38  16.221  -5.327   7.277
  281   1HH1  ARG  38          1HH1      ARG  38  15.055  -2.279   5.839
  282   2HH1  ARG  38          2HH1      ARG  38  14.034  -1.894   7.200
  283   1HH2  ARG  38          1HH2      ARG  38  14.939  -4.757   9.066
  284   2HH2  ARG  38          2HH2      ARG  38  14.012  -3.280   9.057
  285    H    GLY  39           H        GLY  39  20.171  -4.100   1.535
  286   1HA   GLY  39          1HA       GLY  39  22.257  -5.975   1.739
  287   2HA   GLY  39          2HA       GLY  39  21.275  -6.428   0.325
  288    H    ASN  40           H        ASN  40  20.539  -4.267  -0.956
  289    HA   ASN  40           HA       ASN  40  23.054  -3.194  -1.966
  290   1HB   ASN  40          1HB       ASN  40  20.212  -2.798  -2.968
  291   2HB   ASN  40          2HB       ASN  40  21.703  -2.382  -3.817
  292   1HD2  ASN  40          2HD2      ASN  40  19.618  -5.045  -2.779
  293   2HD2  ASN  40          1HD2      ASN  40  20.385  -6.271  -3.772
  294    H    PHE  41           H        PHE  41  22.556  -2.217   0.582
  295    HA   PHE  41           HA       PHE  41  23.034   0.536   0.322
  296   1HB   PHE  41          1HB       PHE  41  20.567   0.642  -0.068
  297   2HB   PHE  41          2HB       PHE  41  20.277  -0.217   1.410
  298    HD1  PHE  41           HD1      PHE  41  21.090   3.044  -0.039
  299    HD2  PHE  41           HD2      PHE  41  20.571   0.822   3.624
  300    HE1  PHE  41           HE1      PHE  41  20.728   5.162   1.207
  301    HE2  PHE  41           HE2      PHE  41  20.268   2.942   4.864
  302    HZ   PHE  41           HZ       PHE  41  20.318   5.108   3.658
  303    H    ARG  42           H        ARG  42  21.350  -1.767   2.426
  304    HA   ARG  42           HA       ARG  42  22.336  -1.184   4.930
  305   1HB   ARG  42          1HB       ARG  42  20.574  -2.819   4.379
  306   2HB   ARG  42          2HB       ARG  42  21.790  -3.927   3.763
  307   1HG   ARG  42          1HG       ARG  42  22.846  -4.016   6.034
  308   2HG   ARG  42          2HG       ARG  42  21.622  -2.891   6.630
  309   1HD   ARG  42          1HD       ARG  42  21.077  -5.238   7.223
  310   2HD   ARG  42          2HD       ARG  42  19.846  -4.492   6.202
  311    HE   ARG  42           HE       ARG  42  20.200  -6.085   4.622
  312   1HH1  ARG  42          1HH1      ARG  42  23.106  -6.045   6.668
  313   2HH1  ARG  42          2HH1      ARG  42  23.862  -7.362   5.809
  314   1HH2  ARG  42          1HH2      ARG  42  21.210  -7.739   3.494
  315   2HH2  ARG  42          2HH2      ARG  42  22.771  -8.348   3.997
  316    H    ASN  43           H        ASN  43  23.652  -3.685   2.784
  317    HA   ASN  43           HA       ASN  43  25.952  -4.185   4.442
  318   1HB   ASN  43          1HB       ASN  43  24.851  -5.893   3.006
  319   2HB   ASN  43          2HB       ASN  43  25.398  -5.018   1.571
  320   1HD2  ASN  43          2HD2      ASN  43  26.733  -6.449   4.620
  321   2HD2  ASN  43          1HD2      ASN  43  28.211  -7.022   3.877
  322    H    GLN  44           H        GLN  44  25.387  -2.424   1.422
  323    HA   GLN  44           HA       GLN  44  27.841  -1.822   0.598
  324   1HB   GLN  44          1HB       GLN  44  25.462   0.099   0.565
  325   2HB   GLN  44          2HB       GLN  44  26.903   0.160  -0.458
  326   1HG   GLN  44          1HG       GLN  44  26.350  -2.118  -1.257
  327   2HG   GLN  44          2HG       GLN  44  24.789  -2.017  -0.452
  328   1HE2  GLN  44          2HE2      GLN  44  24.911  -2.393  -3.229
  329   2HE2  GLN  44          1HE2      GLN  44  24.332  -0.945  -4.025
  330    H    ARG  45           H        ARG  45  25.843   0.134   2.717
  331    HA   ARG  45           HA       ARG  45  26.178   1.817   4.219
  332   1HB   ARG  45          1HB       ARG  45  29.010   0.712   4.510
  333   2HB   ARG  45          2HB       ARG  45  28.222   1.891   5.564
  334   1HG   ARG  45          1HG       ARG  45  26.474   0.222   6.149
  335   2HG   ARG  45          2HG       ARG  45  27.252  -0.959   5.082
  336   1HD   ARG  45          1HD       ARG  45  27.904  -1.414   7.355
  337   2HD   ARG  45          2HD       ARG  45  29.313  -0.855   6.430
  338    HE   ARG  45           HE       ARG  45  28.042   1.365   7.712
  339   1HH1  ARG  45          1HH2      ARG  45  30.013  -1.476   8.506
  340   2HH1  ARG  45          2HH2      ARG  45  30.723  -0.748   9.924
  341   1HH2  ARG  45          1HH1      ARG  45  28.982   2.315   9.572
  342   2HH2  ARG  45          2HH1      ARG  45  30.130   1.420  10.534
  343    H    LYS  46           H        LYS  46  26.075   2.592   1.686
  344    HA   LYS  46           HA       LYS  46  28.297   4.364   0.890
  345   1HB   LYS  46          1HB       LYS  46  27.581   2.384  -0.368
  346   2HB   LYS  46          2HB       LYS  46  26.002   3.077  -0.572
  347   1HG   LYS  46          1HG       LYS  46  27.275   5.111  -1.670
  348   2HG   LYS  46          2HG       LYS  46  28.722   4.104  -1.544
  349   1HD   LYS  46          1HD       LYS  46  27.613   2.332  -2.882
  350   2HD   LYS  46          2HD       LYS  46  26.150   3.332  -2.997
  351   1HE   LYS  46          1HE       LYS  46  27.443   5.092  -4.183
  352   2HE   LYS  46          2HE       LYS  46  28.906   4.093  -4.071
  353   1HZ   LYS  46          1HZ       LYS  46  26.437   3.360  -5.483
  354   2HZ   LYS  46          2HZ       LYS  46  27.838   3.871  -6.184
  355   3HZ   LYS  46          3HZ       LYS  46  27.796   2.433  -5.380
  356    H    ILE  47           H        ILE  47  25.766   4.985  -0.380
  357    HA   ILE  47           HA       ILE  47  25.214   7.642   0.542
  358    HB   ILE  47           HB       ILE  47  23.098   7.522  -0.788
  359   1HG1  ILE  47          1HG1      ILE  47  23.973   4.686  -1.521
  360   2HG1  ILE  47          2HG1      ILE  47  22.680   5.059  -0.376
  361   1HG2  ILE  47          1HG2      ILE  47  25.316   8.154  -1.756
  362   2HG2  ILE  47          2HG2      ILE  47  25.520   6.478  -2.305
  363   3HG2  ILE  47          3HG2      ILE  47  24.196   7.473  -2.937
  364   1HD1  ILE  47          1HD1      ILE  47  21.464   6.300  -2.158
  365   2HD1  ILE  47          2HD1      ILE  47  22.709   5.791  -3.326
  366   3HD1  ILE  47          3HD1      ILE  47  21.702   4.579  -2.518
  367    H    VAL  48           H        VAL  48  23.234   8.499   1.463
  368    HA   VAL  48           HA       VAL  48  22.130   6.806   3.658
  369    HB   VAL  48           HB       VAL  48  21.674   8.908   4.808
  370   1HG1  VAL  48          1HG2      VAL  48  23.789   7.689   5.217
  371   2HG1  VAL  48          2HG2      VAL  48  24.598   8.673   3.978
  372   3HG1  VAL  48          3HG2      VAL  48  23.966   9.438   5.448
  373   1HG2  VAL  48          1HG1      VAL  48  21.469  10.440   2.862
  374   2HG2  VAL  48          2HG1      VAL  48  22.622  11.035   4.065
  375   3HG2  VAL  48          3HG1      VAL  48  23.216  10.298   2.568