*HEADER    TRANSFERASE                             05-NOV-02   1N5G              
*TITLE     NMR STRUCTURES OF THE ZINC FINGER DOMAIN OF HUMAN DNA                 
*TITLE    2 POLYMERASE-ALPHA                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 38-MER OF DNA POLYMERASE ALPHA CATALYTIC SUBUNIT;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN (RESIDUES 1345-1382);                   
*COMPND   5 EC: 2.7.7.7;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PROTEIN IS NATURALLY FOUND IN HOMO SAPIENS.          
*KEYWDS    ZINC FINGER PROTEIN, DNA BINDING DOMAIN, POLYMERASE-ALPHA             
*EXPDTA    NMR, 29 STRUCTURES                                                    
*AUTHOR    F.EVANICS, L.MAURMANN, W.W.YANG, R.N.BOSE                             
*REVDAT   1   25-NOV-03 1N5G    0                                                

!BIOSYM restraint 1
!
#chiral
1:TRPN_1:CA        S
1:LEU_2:CA         S
1:ILE_3:CA         S
1:ILE_3:CB         S
1:CYSH_4:CA        R
1:GLU-_5:CA        S
1:GLU-_6:CA        S
1:PRO_7:CA         S
1:THR_8:CA         S
1:THR_8:CB         R
1:CYSH_9:CA        R
1:ARG+_10:CA       S
1:ASN_11:CA        S
1:ARG+_12:CA       S
1:THR_13:CA        S
1:THR_13:CB        R
1:ARG+_14:CA       S
1:HIS+_15:CA       S
1:LEU_16:CA        S
1:PRO_17:CA        S
1:LEU_18:CA        S
1:GLN_19:CA        S
1:PHE_20:CA        S
1:SER_21:CA        S
1:ARG+_22:CA       S
1:THR_23:CA        S
1:THR_23:CB        R
1:PRO_25:CA        S
1:LEU_26:CA        S
1:CYSH_27:CA       R
1:PRO_28:CA        S
1:ALA_29:CA        S
1:CYSH_30:CA       R
1:MET_31:CA        S
1:LYS+_32:CA       S
1:ALA_33:CA        S
1:THR_34:CA        S
1:THR_34:CB        R
1:LEU_35:CA        S
1:GLN_36:CA        S
1:PRO_37:CA        S
1:GL-C_38:CA       S
!
#distance
1:CYSH_4:SG        1:CYSH_9:SG         3.820  3.840 80.00 80.00 1000.000
1:CYSH_4:SG        1:CYSH_27:SG        3.820  3.840 80.00 80.00 1000.000
1:CYSH_4:SG        1:CYSH_30:SG        3.820  3.840 80.00 80.00 1000.000
1:CYSH_9:SG        1:CYSH_27:SG        3.820  3.840 80.00 80.00 1000.000
1:CYSH_9:SG        1:CYSH_30:SG        3.820  3.840 80.00 80.00 1000.000
1:CYSH_27:SG       1:CYSH_30:SG        3.820  3.840 80.00 80.00 1000.000
1:TRPN_1:O         1:GLU-_5:N          1.800  2.950 90.00 90.00 1000.000
1:THR_8:O          1:ARG+_12:N         1.800  2.950 90.00 90.00 1000.000
1:CYSH_9:O         1:THR_13:N          1.800  2.950 90.00 90.00 1000.000
1:THR_34:O         1:GL-C_38:N         1.800  2.950 90.00 90.00 1000.000
1:ASN_11:HN        1:ASN_11:HA         1.800  3.200 90.00 90.00 1000.000
1:ARG+_12:HN       1:ASN_11:HA         3.100  4.000 90.00 90.00 1000.000
1:PHE_20:HN        1:PHE_20:HA         1.800  3.200 90.00 90.00 1000.000
1:SER_21:HN        1:PHE_20:HA         3.100  4.000 90.00 90.00 1000.000
1:ARG+_22:HN       1:ARG+_22:HA        1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HN       1:SER_21:HA         1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HN       1:LEU_16:HA         6.100  6.500 90.00 90.00 1000.000
1:THR_23:HN        1:ARG+_22:HA        1.800  3.200 90.00 90.00 1000.000
1:THR_23:HN        1:SER_21:HA         3.100  4.000 90.00 90.00 1000.000
1:GLY_24:HN        1:THR_23:HA         3.100  4.000 90.00 90.00 1000.000
1:GLY_24:HN        1:ARG+_22:HA        3.900  5.500 90.00 90.00 1000.000
1:GLY_24:HN        1:SER_21:HA         1.800  3.200 90.00 90.00 1000.000
1:CYSH_27:HN       1:CYSH_27:HA        1.800  3.200 90.00 90.00 1000.000
1:CYSH_27:HN       1:LEU_26:HA         3.100  4.000 90.00 90.00 1000.000
1:PHE_20:HD*       1:PHE_20:HA         3.100  4.000 90.00 90.00 1000.000
1:PHE_20:HD*       1:PHE_20:HB1        1.800  3.200 90.00 90.00 1000.000
1:PHE_20:HD*       1:PHE_20:HB2        1.800  3.200 90.00 90.00 1000.000
1:SER_21:HN        1:SER_21:HB*        1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HN       1:SER_21:HB*        3.900  5.500 90.00 90.00 1000.000
1:GLN_19:HN        1:GLN_19:HA         1.800  3.200 90.00 90.00 1000.000
1:PHE_20:HN        1:GLN_19:HA         1.800  3.200 90.00 90.00 1000.000
1:GLU-_5:HN        1:CYSH_4:HA         3.100  4.000 90.00 90.00 1000.000
1:GLU-_6:HN        1:CYSH_4:HA         3.900  5.500 90.00 90.00 1000.000
1:ASN_11:HN        1:ARG+_10:HA        3.100  4.000 90.00 90.00 1000.000
1:THR_13:HN        1:ARG+_12:HA        3.100  4.000 90.00 90.00 1000.000
1:LEU_16:HN        1:HIS+_15:HA        3.100  4.000 90.00 90.00 1000.000
1:LEU_2:HN         1:TRPN_1:HA         1.800  3.200 90.00 90.00 1000.000
1:ILE_3:HN         1:LEU_2:HA          3.100  4.000 90.00 90.00 1000.000
1:ILE_3:HN         1:ILE_3:HA          1.800  3.200 90.00 90.00 1000.000
1:GLU-_5:HN        1:ILE_3:HA          3.900  5.500 90.00 90.00 1000.000
1:GLU-_6:HN        1:ILE_3:HA          3.900  5.500 90.00 90.00 1000.000
1:CYSH_4:HN        1:ILE_3:HA          1.800  3.200 90.00 90.00 1000.000
1:GLU-_6:HN        1:GLU-_5:HA         3.100  4.000 90.00 90.00 1000.000
1:LEU_35:HN        1:THR_34:HA         3.100  4.000 90.00 90.00 1000.000
1:LEU_35:HN        1:ALA_33:HA         3.100  4.000 90.00 90.00 1000.000
1:GLU-_6:HN        1:THR_34:HA         3.900  5.500 90.00 90.00 1000.000
1:MET_31:HN        1:MET_31:HA         1.800  3.200 90.00 90.00 1000.000
1:CYSH_4:HN        1:CYSH_4:HA         1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HN       1:CYSH_9:HA         3.100  4.000 90.00 90.00 1000.000
1:HIS+_15:HN       1:THR_13:HA         1.800  3.200 90.00 90.00 1000.000
1:ARG+_14:HN       1:THR_13:HA         1.800  3.200 90.00 90.00 1000.000
1:LEU_35:HN        1:LYS+_32:HA        3.100  4.000 90.00 90.00 1000.000
1:CYSH_9:HN        1:GLU-_6:HA         3.900  5.500 90.00 90.00 1000.000
1:ARG+_14:HN       1:ARG+_14:HA        1.800  3.200 90.00 90.00 1000.000
1:HIS+_15:HN       1:ARG+_14:HA        3.100  4.000 90.00 90.00 1000.000
1:ALA_29:HN        1:ALA_29:HA         1.800  3.200 90.00 90.00 1000.000
1:LEU_18:HN        1:LEU_18:HA         1.800  3.200 90.00 90.00 1000.000
1:GLN_19:HN        1:LEU_18:HA         3.100  4.000 90.00 90.00 1000.000
1:PHE_20:HN        1:LEU_18:HA         3.900  5.500 90.00 90.00 1000.000
1:CYSH_30:HN       1:ALA_29:HA         1.800  3.200 90.00 90.00 1000.000
1:CYSH_30:HN       1:CYSH_30:HA        1.800  3.200 90.00 90.00 1000.000
1:MET_31:HN        1:CYSH_30:HA        3.100  4.000 90.00 90.00 1000.000
1:LYS+_32:HN       1:MET_31:HA         3.100  4.000 90.00 90.00 1000.000
1:ALA_33:HN        1:ALA_33:HA         1.800  3.200 90.00 90.00 1000.000
1:ALA_33:HN        1:LYS+_32:HA        3.100  4.000 90.00 90.00 1000.000
1:THR_34:HN        1:THR_34:HA         1.800  3.200 90.00 90.00 1000.000
1:THR_34:HN        1:ALA_33:HA         3.100  4.000 90.00 90.00 1000.000
1:THR_23:HN        1:THR_23:HB         3.100  4.000 90.00 90.00 1000.000
1:THR_34:HN        1:LYS+_32:HA        3.900  5.500 90.00 90.00 1000.000
1:THR_34:HN        1:GLU-_6:HA         5.580  5.980 90.00 90.00 1000.000
1:GLN_36:HN        1:LEU_35:HA         3.100  4.000 90.00 90.00 1000.000
1:ASN_11:HN        1:ARG+_12:HN        1.800  3.200 90.00 90.00 1000.000
1:ARG+_14:HN       1:THR_13:HN         1.800  3.200 90.00 90.00 1000.000
1:HIS+_15:HN       1:THR_13:HN         3.100  4.000 90.00 90.00 1000.000
1:ARG+_22:HN       1:SER_21:HN         1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HN       1:THR_23:HN         1.800  3.200 90.00 90.00 1000.000
1:LEU_35:HN        1:GLN_36:HN         1.800  3.200 90.00 90.00 1000.000
1:ALA_29:HN        1:CYSH_27:HN        3.900  5.500 90.00 90.00 1000.000
1:ALA_29:HN        1:CYSH_30:HN        1.800  3.200 90.00 90.00 1000.000
1:GLU-_5:HN        1:CYSH_4:HN         1.800  3.200 90.00 90.00 1000.000
1:GL-C_38:HN       1:LEU_35:HN         3.900  5.500 90.00 90.00 1000.000
1:HIS+_15:HE1      1:HIS+_15:HN        5.870  6.270 90.00 90.00 1000.000
1:HIS+_15:HE1      1:ARG+_14:HN        6.840  7.240 90.00 90.00 1000.000
1:ARG+_12:HN       1:THR_13:HN         1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HN       1:THR_8:HN          3.900  5.500 90.00 90.00 1000.000
1:LYS+_32:HN       1:ALA_33:HN         1.800  3.200 90.00 90.00 1000.000
1:LEU_26:HN        1:GLY_24:HN         5.900  6.300 90.00 90.00 1000.000
1:HIS+_15:HN       1:LEU_16:HN         1.800  3.200 90.00 90.00 1000.000
1:LEU_35:HN        1:THR_34:HN         1.800  3.200 90.00 90.00 1000.000
1:LEU_18:HN        1:LEU_16:HN         3.100  4.000 90.00 90.00 1000.000
1:HIS+_15:HN       1:HIS+_15:HA        1.800  3.200 90.00 90.00 1000.000
1:LEU_26:HN        1:LEU_26:HA         1.800  3.200 90.00 90.00 1000.000
1:ALA_33:HN        1:MET_31:HA         3.900  5.500 90.00 90.00 1000.000
1:SER_21:HN        1:SER_21:HA         1.800  3.200 90.00 90.00 1000.000
1:CYSH_9:HN        1:THR_8:HA          1.800  3.200 90.00 90.00 1000.000
1:ARG+_12:HN       1:CYSH_9:HA         1.800  3.200 90.00 90.00 1000.000
1:CYSH_27:HN       1:PRO_25:HA         3.900  5.500 90.00 90.00 1000.000
1:HIS+_15:HE1      1:ARG+_12:HA        3.900  5.500 90.00 90.00 1000.000
1:THR_34:HN        1:THR_34:HB         1.800  3.200 90.00 90.00 1000.000
1:GLY_24:HN        1:GLY_24:HA*        1.800  3.200 90.00 90.00 1000.000
1:ARG+_12:HN       1:ARG+_10:HA        3.100  4.000 90.00 90.00 1000.000
1:GLN_36:HN        1:GLN_36:HA         1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HN       1:ARG+_10:HA        1.800  3.200 90.00 90.00 1000.000
1:GLN_36:HN        1:THR_34:HA         3.900  5.500 90.00 90.00 1000.000
1:GLN_36:HN        1:ALA_33:HA         1.800  3.200 90.00 90.00 1000.000
1:LEU_2:HN         1:LEU_2:HA          1.800  3.200 90.00 90.00 1000.000
1:GLU-_5:HN        1:THR_34:HB         7.510  7.910 90.00 90.00 1000.000
1:LEU_16:HN        1:ARG+_14:HA        1.800  3.200 90.00 90.00 1000.000
1:ASN_11:HN        1:ARG+_14:HD*       3.900  5.500 90.00 90.00 1000.000
1:ASN_11:HN        1:ARG+_10:HD*       3.900  5.500 90.00 90.00 1000.000
1:GLU-_5:HN        1:CYSH_4:HB1        1.800  3.200 90.00 90.00 1000.000
1:SER_21:HN        1:PHE_20:HB1        3.900  5.500 90.00 90.00 1000.000
1:GLU-_5:HN        1:PRO_7:HD1         3.900  5.500 90.00 90.00 1000.000
1:GLU-_6:HN        1:PRO_7:HD1         1.800  3.200 90.00 90.00 1000.000
1:PHE_20:HN        1:PHE_20:HB2        3.100  4.000 90.00 90.00 1000.000
1:GLU-_5:HN        1:CYSH_4:HB2        1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HN       1:CYSH_9:HB2        3.100  4.000 90.00 90.00 1000.000
1:CYSH_30:HN       1:CYSH_4:HB2        7.610  8.010 90.00 90.00 1000.000
1:HIS+_15:HN       1:HIS+_15:HB1       3.100  4.000 90.00 90.00 1000.000
1:PHE_20:HN        1:HIS+_15:HB1       3.900  5.500 90.00 90.00 1000.000
1:HIS+_15:HN       1:HIS+_15:HB2       1.800  3.200 90.00 90.00 1000.000
1:MET_31:HN        1:LYS+_32:HD2       6.320  6.720 90.00 90.00 1000.000
1:LEU_26:HN        1:PRO_25:HB2        3.900  5.500 90.00 90.00 1000.000
1:LEU_2:HN         1:GLU-_5:HG1        3.900  5.500 90.00 90.00 1000.000
1:GLN_36:HN        1:GLU-_5:HG2        7.420  7.820 90.00 90.00 1000.000
1:THR_34:HN        1:GLU-_5:HG2        3.900  5.500 90.00 90.00 1000.000
1:CYSH_9:HN        1:MET_31:HB2        6.900  7.300 90.00 90.00 1000.000
1:THR_23:HN        1:ARG+_22:HB1       3.100  4.000 90.00 90.00 1000.000
1:GLU-_6:HN        1:GLU-_6:HB1        1.800  3.200 90.00 90.00 1000.000
1:GLU-_6:HN        1:GLU-_5:HB1        3.900  5.500 90.00 90.00 1000.000
1:GLU-_6:HN        1:GLU-_6:HB2        1.800  3.200 90.00 90.00 1000.000
1:GLU-_6:HN        1:PRO_37:HG1        5.400  5.800 90.00 90.00 1000.000
1:LEU_26:HN        1:PRO_25:HG2        3.900  5.500 90.00 90.00 1000.000
1:ARG+_22:HN       1:ARG+_22:HB1       3.100  4.000 90.00 90.00 1000.000
1:CYSH_27:HN       1:PRO_25:HB1        6.380  6.780 90.00 90.00 1000.000
1:ARG+_10:HN       1:ARG+_10:HB1       1.800  3.200 90.00 90.00 1000.000
1:CYSH_4:HN        1:ILE_3:HB          3.900  5.500 90.00 90.00 1000.000
1:MET_31:HN        1:ARG+_12:HB1       7.470  7.870 90.00 90.00 1000.000
1:ARG+_14:HN       1:ARG+_14:HB1       1.800  3.200 90.00 90.00 1000.000
1:ILE_3:HN         1:ILE_3:HB          1.800  3.200 90.00 90.00 1000.000
1:HIS+_15:HN       1:ARG+_14:HB2       3.900  5.500 90.00 90.00 1000.000
1:ALA_33:HN        1:LYS+_32:HB2       3.900  5.500 90.00 90.00 1000.000
1:THR_23:HN        1:ARG+_22:HB2       3.100  4.000 90.00 90.00 1000.000
1:THR_34:HN        1:ALA_33:HB*        3.100  4.000 90.00 90.00 1000.000
1:ALA_33:HN        1:LYS+_32:HG*       1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HN       1:ARG+_10:HB2       1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HN       1:ARG+_22:HB2       1.800  3.200 90.00 90.00 1000.000
1:ASN_11:HN        1:ARG+_10:HB2       1.800  3.200 90.00 90.00 1000.000
1:ASN_11:HN        1:ARG+_10:HG2       3.900  5.500 90.00 90.00 1000.000
1:CYSH_27:HN       1:LEU_26:HB*        1.800  3.200 90.00 90.00 1000.000
1:ARG+_12:HN       1:ARG+_12:HG*       3.100  4.000 90.00 90.00 1000.000
1:LEU_2:HN         1:LEU_2:HB*         1.800  3.200 90.00 90.00 1000.000
1:MET_31:HN        1:ARG+_12:HG*       5.520  5.920 90.00 90.00 1000.000
1:ILE_3:HN         1:LEU_2:HB*         1.800  3.200 90.00 90.00 1000.000
1:LEU_18:HN        1:LEU_18:HB*        3.100  4.000 90.00 90.00 1000.000
1:GLN_19:HN        1:LEU_18:HB*        3.100  4.000 90.00 90.00 1000.000
1:LEU_35:HN        1:LEU_35:HG         3.100  4.000 90.00 90.00 1000.000
1:CYSH_4:HN        1:ILE_3:HG11        3.900  5.500 90.00 90.00 1000.000
1:MET_31:HN        1:LYS+_32:HG*       3.900  5.500 90.00 90.00 1000.000
1:LEU_2:HN         1:ALA_33:HB*        8.390  8.790 90.00 90.00 1000.000
1:ILE_3:HN         1:ALA_33:HB*        9.450  9.850 90.00 90.00 1000.000
1:LEU_16:HN        1:THR_13:HG2*       3.900  5.500 90.00 90.00 1000.000
1:THR_8:HN         1:THR_8:HG2*        3.900  5.500 90.00 90.00 1000.000
1:THR_13:HN        1:THR_34:HG2*       6.060  6.460 90.00 90.00 1000.000
1:GLY_24:HN        1:THR_23:HG2*       3.900  5.500 90.00 90.00 1000.000
1:ILE_3:HN         1:ILE_3:HG12        3.900  5.500 90.00 90.00 1000.000
1:LEU_35:HN        1:THR_34:HG2*       3.900  5.500 90.00 90.00 1000.000
1:GLU-_6:HN        1:THR_34:HG2*       5.490  5.890 90.00 90.00 1000.000
1:LEU_2:HN         1:LEU_2:HD1*        3.100  4.000 90.00 90.00 1000.000
1:LEU_2:HN         1:LEU_2:HD2*        3.900  5.500 90.00 90.00 1000.000
1:CYSH_4:HN        1:ILE_3:HD1*        5.670  6.070 90.00 90.00 1000.000
1:LEU_26:HN        1:LEU_26:HD2*       3.100  4.000 90.00 90.00 1000.000
1:GLN_36:HN        1:LEU_35:HD2*       6.300  6.700 90.00 90.00 1000.000
1:CYSH_27:HN       1:LEU_26:HD2*       3.900  5.500 90.00 90.00 1000.000
1:ILE_3:HN         1:ILE_3:HG2*        3.100  4.000 90.00 90.00 1000.000
1:LEU_35:HN        1:LEU_35:HD1*       3.100  4.000 90.00 90.00 1000.000
1:ILE_3:HN         1:ILE_3:HD1*        3.900  5.500 90.00 90.00 1000.000
1:PHE_20:HN        1:LEU_18:HD2*       3.900  5.500 90.00 90.00 1000.000
1:GLN_19:HN        1:LEU_18:HD2*       3.900  5.500 90.00 90.00 1000.000
1:ALA_33:HN        1:LEU_35:HN         3.900  5.500 90.00 90.00 1000.000
1:TRPN_1:HD1       1:TRPN_1:HB1        3.100  4.000 90.00 90.00 1000.000
1:TRPN_1:HE3       1:TRPN_1:HB2        3.900  5.500 90.00 90.00 1000.000
1:TRPN_1:HE3       1:TRPN_1:HB1        1.800  3.200 90.00 90.00 1000.000
1:HIS+_15:HD2      1:ARG+_12:HA        3.100  4.000 90.00 90.00 1000.000
1:ARG+_22:HE       1:ARG+_22:HG*       1.800  3.200 90.00 90.00 1000.000
1:ARG+_14:HE       1:ARG+_14:HG*       1.800  3.200 90.00 90.00 1000.000
1:PHE_20:HD*       1:LEU_18:HB*        3.900  5.500 90.00 90.00 1000.000
1:PHE_20:HD*       1:LEU_18:HG         5.850  6.250 90.00 90.00 1000.000
1:TRPN_1:HE1       1:TRPN_1:HZ2        1.800  3.200 90.00 90.00 1000.000
1:TRPN_1:HE1       1:TRPN_1:HD1        1.800  3.200 90.00 90.00 1000.000
1:PHE_20:HN        1:PHE_20:HD*        1.800  3.200 90.00 90.00 1000.000
1:SER_21:HN        1:PHE_20:HD*        3.100  4.000 90.00 90.00 1000.000
1:TRPN_1:HE3       1:TRPN_1:HZ3        1.800  3.200 90.00 90.00 1000.000
1:TRPN_1:HZ2       1:TRPN_1:HH2        1.800  3.200 90.00 90.00 1000.000
1:PHE_20:HE*       1:PHE_20:HD*        1.800  3.200 90.00 90.00 1000.000
1:CYSH_30:HA       1:LEU_2:HA          7.600  8.000 90.00 90.00 1000.000
1:THR_13:HA        1:THR_13:HB         1.800  3.200 90.00 90.00 1000.000
1:THR_34:HA        1:THR_34:HB         1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HA       1:THR_13:HB         1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HA       1:THR_34:HB         3.900  5.500 90.00 90.00 1000.000
1:CYSH_27:HA       1:PRO_28:HD2        1.800  3.200 90.00 90.00 1000.000
1:CYSH_27:HA       1:PRO_28:HD1        1.800  3.200 90.00 90.00 1000.000
1:SER_21:HA        1:SER_21:HB*        1.800  3.200 90.00 90.00 1000.000
1:LEU_16:HA        1:PRO_17:HD2        3.900  5.500 90.00 90.00 1000.000
1:PRO_25:HD2       1:PRO_25:HD1        1.800  3.200 90.00 90.00 1000.000
1:PRO_17:HD2       1:PRO_17:HD1        1.800  3.200 90.00 90.00 1000.000
1:PRO_37:HD1       1:PRO_37:HD2        1.800  3.200 90.00 90.00 1000.000
1:THR_34:HB        1:MET_31:HA         3.100  4.000 90.00 90.00 1000.000
1:CYSH_4:HB2       1:CYSH_4:HA         1.800  3.200 90.00 90.00 1000.000
1:CYSH_9:HB2       1:CYSH_9:HA         1.800  3.200 90.00 90.00 1000.000
1:PRO_28:HB2       1:PRO_28:HA         1.800  3.200 90.00 90.00 1000.000
1:PRO_25:HB2       1:PRO_25:HA         1.800  3.200 90.00 90.00 1000.000
1:PRO_25:HB1       1:PRO_25:HA         1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HB2      1:ARG+_22:HA        1.800  3.200 90.00 90.00 1000.000
1:LYS+_32:HB2      1:LYS+_32:HA        1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HB2      1:ARG+_10:HA        1.800  3.200 90.00 90.00 1000.000
1:PRO_7:HG2        1:PRO_7:HD2         1.800  3.200 90.00 90.00 1000.000
1:PRO_7:HG1        1:PRO_7:HD2         1.800  3.200 90.00 90.00 1000.000
1:PRO_7:HG1        1:PRO_7:HD1         1.800  3.200 90.00 90.00 1000.000
1:PRO_7:HG2        1:PRO_7:HD1         1.800  3.200 90.00 90.00 1000.000
1:PRO_25:HG1       1:PRO_25:HD2        1.800  3.200 90.00 90.00 1000.000
1:LEU_16:HB*       1:LEU_16:HA         1.800  3.200 90.00 90.00 1000.000
1:LEU_18:HB*       1:LEU_18:HA         1.800  3.200 90.00 90.00 1000.000
1:ALA_29:HB*       1:ALA_29:HA         1.800  3.200 90.00 90.00 1000.000
1:THR_8:HG2*       1:THR_8:HA          1.800  3.200 90.00 90.00 1000.000
1:THR_23:HG2*      1:THR_23:HB         1.800  3.200 90.00 90.00 1000.000
1:THR_34:HG2*      1:THR_34:HA         1.800  3.200 90.00 90.00 1000.000
1:THR_34:HG2*      1:ARG+_10:HA        3.100  4.000 90.00 90.00 1000.000
1:THR_34:HG2*      1:GLU-_5:HA         3.900  5.500 90.00 90.00 1000.000
1:THR_34:HG2*      1:GLU-_6:HA         3.100  4.000 90.00 90.00 1000.000
1:THR_13:HG2*      1:THR_13:HA         1.800  3.200 90.00 90.00 1000.000
1:THR_13:HG2*      1:THR_13:HB         1.800  3.200 90.00 90.00 1000.000
1:THR_34:HG2*      1:THR_34:HB         1.800  3.200 90.00 90.00 1000.000
1:LEU_26:HD2*      1:LEU_26:HA         3.900  5.500 90.00 90.00 1000.000
1:LEU_16:HD2*      1:LEU_16:HA         3.900  5.500 90.00 90.00 1000.000
1:LEU_16:HD2*      1:ARG+_22:HA        6.050  6.450 90.00 90.00 1000.000
1:LEU_2:HD2*       1:TRPN_1:HA         7.810  8.210 90.00 90.00 1000.000
1:LEU_35:HD2*      1:LEU_35:HA         3.100  4.000 90.00 90.00 1000.000
1:LEU_2:HD2*       1:LEU_2:HA          3.900  5.500 90.00 90.00 1000.000
1:ILE_3:HG2*       1:ILE_3:HA          3.100  4.000 90.00 90.00 1000.000
1:ILE_3:HD1*       1:ILE_3:HA          1.800  3.200 90.00 90.00 1000.000
1:PHE_20:HA        1:PHE_20:HB1        1.800  3.200 90.00 90.00 1000.000
1:TRPN_1:HB1       1:TRPN_1:HB2        1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HD*      1:PHE_20:HB1        5.310  5.710 90.00 90.00 1000.000
1:PHE_20:HB1       1:PHE_20:HB2        1.800  3.200 90.00 90.00 1000.000
1:ARG+_12:HG*      1:ARG+_12:HD*       1.800  3.200 90.00 90.00 1000.000
1:ARG+_14:HB2      1:ARG+_14:HD*       3.100  4.000 90.00 90.00 1000.000
1:PRO_17:HA        1:PRO_17:HB2        1.800  3.200 90.00 90.00 1000.000
1:PRO_37:HA        1:PRO_37:HB2        1.800  3.200 90.00 90.00 1000.000
1:GL-C_38:HA       1:GL-C_38:HB1       1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HA       1:ARG+_22:HB1       1.800  3.200 90.00 90.00 1000.000
1:PRO_17:HA        1:PRO_17:HB1        1.800  3.200 90.00 90.00 1000.000
1:PRO_37:HA        1:PRO_37:HB1        1.800  3.200 90.00 90.00 1000.000
1:ALA_33:HA        1:LYS+_32:HB2       5.870  6.270 90.00 90.00 1000.000
1:GLU-_6:HA        1:GLU-_6:HB2        1.800  3.200 90.00 90.00 1000.000
1:PRO_7:HD1        1:PRO_7:HB1         3.900  5.500 90.00 90.00 1000.000
1:PRO_28:HD2       1:PRO_28:HG2        1.800  3.200 90.00 90.00 1000.000
1:TRPN_1:HB2       1:GLU-_5:HG2        7.730  8.130 90.00 90.00 1000.000
1:PRO_7:HB2        1:PRO_7:HB1         1.800  3.200 90.00 90.00 1000.000
1:PRO_7:HB2        1:PRO_7:HG2         1.800  3.200 90.00 90.00 1000.000
1:GLN_19:HG2       1:GLN_19:HB2        1.800  3.200 90.00 90.00 1000.000
1:GL-C_38:HG2      1:GL-C_38:HB1       1.800  3.200 90.00 90.00 1000.000
1:GL-C_38:HG1      1:GL-C_38:HB1       1.800  3.200 90.00 90.00 1000.000
1:PRO_28:HB2       1:PRO_28:HB1        1.800  3.200 90.00 90.00 1000.000
1:GLU-_5:HG1       1:GLU-_5:HB1        1.800  3.200 90.00 90.00 1000.000
1:PRO_28:HB2       1:PRO_28:HG1        1.800  3.200 90.00 90.00 1000.000
1:PRO_17:HB1       1:PRO_17:HB2        1.800  3.200 90.00 90.00 1000.000
1:PRO_37:HB1       1:PRO_37:HB2        1.800  3.200 90.00 90.00 1000.000
1:PRO_17:HG2       1:PRO_17:HB2        1.800  3.200 90.00 90.00 1000.000
1:PRO_37:HG2       1:PRO_37:HB2        1.800  3.200 90.00 90.00 1000.000
1:PRO_37:HG1       1:PRO_37:HB2        1.800  3.200 90.00 90.00 1000.000
1:GLU-_5:HB2       1:GLU-_5:HG2        1.800  3.200 90.00 90.00 1000.000
1:PRO_17:HG1       1:PRO_17:HB2        1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HB2      1:ARG+_22:HB1       1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HB1      1:ARG+_22:HG*       1.800  3.200 90.00 90.00 1000.000
1:ARG+_14:HB2      1:ARG+_14:HG*       1.800  3.200 90.00 90.00 1000.000
1:ARG+_22:HB2      1:ARG+_22:HG*       1.800  3.200 90.00 90.00 1000.000
1:ILE_3:HG2*       1:ILE_3:HB          1.800  3.200 90.00 90.00 1000.000
1:LEU_2:HD1*       1:LEU_2:HB*         3.100  4.000 90.00 90.00 1000.000
1:LEU_18:HD1*      1:LEU_18:HB*        3.100  4.000 90.00 90.00 1000.000
1:LEU_16:HD1*      1:LEU_16:HB*        3.100  4.000 90.00 90.00 1000.000
1:LEU_16:HD1*      1:LEU_16:HG         1.800  3.200 90.00 90.00 1000.000
1:LEU_35:HD1*      1:LEU_35:HG         1.800  3.200 90.00 90.00 1000.000
1:LEU_16:HD2*      1:LEU_16:HB*        1.800  3.200 90.00 90.00 1000.000
1:LEU_35:HD2*      1:LEU_35:HG         1.800  3.200 90.00 90.00 1000.000
1:ILE_3:HG12       1:ILE_3:HG11        1.800  3.200 90.00 90.00 1000.000
1:ILE_3:HG2*       1:ILE_3:HG12        3.100  4.000 90.00 90.00 1000.000
1:THR_34:HG2*      1:LEU_35:HD1*       5.550  5.950 90.00 90.00 1000.000
1:LYS+_32:HD1      1:LYS+_32:HG*       1.800  3.200 90.00 90.00 1000.000
1:LEU_2:HB*        1:LEU_2:HD2*        1.800  3.200 90.00 90.00 1000.000
1:LEU_2:HB*        1:ILE_3:HD1*        6.600  7.000 90.00 90.00 1000.000
1:LEU_35:HB2       1:GLN_36:HN         3.100  4.000 90.00 90.00 1000.000
1:GLU-_5:HB2       1:GLU-_6:HN         3.100  4.000 90.00 90.00 1000.000
1:ARG+_12:HD*      1:ARG+_12:HE        1.800  3.200 90.00 90.00 1000.000
1:ARG+_14:HD*      1:ARG+_14:HE        1.800  3.200 90.00 90.00 1000.000
1:ARG+_10:HD*      1:ARG+_10:HE        1.800  3.200 90.00 90.00 1000.000
1:LEU_2:HA         1:CYSH_4:HN         3.100  4.000 90.00 90.00 1000.000
!
#3J_dihedral
1:LEU_2:HN         1:LEU_2:N          1:LEU_2:CA         1:LEU_2:HA          9.90 90.00 90.00 90.00 1000.000  158.4 -158.4 !A=6.700, B=-1.300, C=1.500
1:ILE_3:HN         1:ILE_3:N          1:ILE_3:CA         1:ILE_3:HA          8.40 90.00 90.00 90.00 1000.000  142.8  178.3 -178.3 -142.8 !A=6.700, B=-1.300, C=1.500
1:CYSH_27:HN       1:CYSH_27:N        1:CYSH_27:CA       1:CYSH_27:HA        9.90 90.00 90.00 90.00 1000.000  158.4 -158.4 !A=6.700, B=-1.300, C=1.500
1:CYSH_30:HN       1:CYSH_30:N        1:CYSH_30:CA       1:CYSH_30:HA        7.70 90.00 90.00 90.00 1000.000  137.1  165.8 -165.8 -137.1  -15.5   15.5 !A=6.700, B=-1.300, C=1.500
1:LYS+_32:HN       1:LYS+_32:N        1:LYS+_32:CA       1:LYS+_32:HA        7.70 90.00 90.00 90.00 1000.000  137.1  165.8 -165.8 -137.1  -15.5   15.5 !A=6.700, B=-1.300, C=1.500
1:GL-C_38:HN       1:GL-C_38:N        1:GL-C_38:CA       1:GL-C_38:HA        8.10 90.00 90.00 90.00 1000.000  140.3  171.5 -171.5 -140.3 !A=6.700, B=-1.300, C=1.500
1:TRPN_1:CA        1:TRPN_1:C         1:LEU_2:N          1:LEU_2:CA          0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:LEU_2:CA         1:LEU_2:C          1:ILE_3:N          1:ILE_3:CA          0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ILE_3:CA         1:ILE_3:C          1:CYSH_4:N         1:CYSH_4:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:CYSH_4:CA        1:CYSH_4:C         1:GLU-_5:N         1:GLU-_5:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:GLU-_5:CA        1:GLU-_5:C         1:GLU-_6:N         1:GLU-_6:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:GLU-_6:CA        1:GLU-_6:C         1:PRO_7:N          1:PRO_7:CA          0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:PRO_7:CA         1:PRO_7:C          1:THR_8:N          1:THR_8:CA          0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:THR_8:CA         1:THR_8:C          1:CYSH_9:N         1:CYSH_9:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:CYSH_9:CA        1:CYSH_9:C         1:ARG+_10:N        1:ARG+_10:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ARG+_10:CA       1:ARG+_10:C        1:ASN_11:N         1:ASN_11:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ASN_11:CA        1:ASN_11:C         1:ARG+_12:N        1:ARG+_12:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ARG+_12:CA       1:ARG+_12:C        1:THR_13:N         1:THR_13:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:THR_13:CA        1:THR_13:C         1:ARG+_14:N        1:ARG+_14:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ARG+_14:CA       1:ARG+_14:C        1:HIS+_15:N        1:HIS+_15:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:HIS+_15:CA       1:HIS+_15:C        1:LEU_16:N         1:LEU_16:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:LEU_16:CA        1:LEU_16:C         1:PRO_17:N         1:PRO_17:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:PRO_17:CA        1:PRO_17:C         1:LEU_18:N         1:LEU_18:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:LEU_18:CA        1:LEU_18:C         1:GLN_19:N         1:GLN_19:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:GLN_19:CA        1:GLN_19:C         1:PHE_20:N         1:PHE_20:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:PHE_20:CA        1:PHE_20:C         1:SER_21:N         1:SER_21:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:SER_21:CA        1:SER_21:C         1:ARG+_22:N        1:ARG+_22:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ARG+_22:CA       1:ARG+_22:C        1:THR_23:N         1:THR_23:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:THR_23:CA        1:THR_23:C         1:GLY_24:N         1:GLY_24:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:GLY_24:CA        1:GLY_24:C         1:PRO_25:N         1:PRO_25:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:PRO_25:CA        1:PRO_25:C         1:LEU_26:N         1:LEU_26:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:LEU_26:CA        1:LEU_26:C         1:CYSH_27:N        1:CYSH_27:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:CYSH_27:CA       1:CYSH_27:C        1:PRO_28:N         1:PRO_28:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:PRO_28:CA        1:PRO_28:C         1:ALA_29:N         1:ALA_29:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ALA_29:CA        1:ALA_29:C         1:CYSH_30:N        1:CYSH_30:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:CYSH_30:CA       1:CYSH_30:C        1:MET_31:N         1:MET_31:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:MET_31:CA        1:MET_31:C         1:LYS+_32:N        1:LYS+_32:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:LYS+_32:CA       1:LYS+_32:C        1:ALA_33:N         1:ALA_33:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ALA_33:CA        1:ALA_33:C         1:THR_34:N         1:THR_34:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:THR_34:CA        1:THR_34:C         1:LEU_35:N         1:LEU_35:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:LEU_35:CA        1:LEU_35:C         1:GLN_36:N         1:GLN_36:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:GLN_36:CA        1:GLN_36:C         1:PRO_37:N         1:PRO_37:CA         0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:PRO_37:CA        1:PRO_37:C         1:GL-C_38:N        1:GL-C_38:CA        0.00  0.00 90.00 90.00 1000.000  170.0 -170.0
1:ILE_3:C          1:CYSH_4:N         1:CYSH_4:CA        1:CYSH_4:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:GLU-_5:C         1:GLU-_6:N         1:GLU-_6:CA        1:GLU-_6:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:GLU-_6:C         1:PRO_7:N          1:PRO_7:CA         1:PRO_7:C           0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:PRO_7:C          1:THR_8:N          1:THR_8:CA         1:THR_8:C           0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:THR_8:C          1:CYSH_9:N         1:CYSH_9:CA        1:CYSH_9:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:CYSH_9:C         1:ARG+_10:N        1:ARG+_10:CA       1:ARG+_10:C         0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:ARG+_10:C        1:ASN_11:N         1:ASN_11:CA        1:ASN_11:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:ASN_11:C         1:ARG+_12:N        1:ARG+_12:CA       1:ARG+_12:C         0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:ARG+_12:C        1:THR_13:N         1:THR_13:CA        1:THR_13:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:THR_13:C         1:ARG+_14:N        1:ARG+_14:CA       1:ARG+_14:C         0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:HIS+_15:C        1:LEU_16:N         1:LEU_16:CA        1:LEU_16:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:LEU_16:C         1:PRO_17:N         1:PRO_17:CA        1:PRO_17:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:LYS+_32:C        1:ALA_33:N         1:ALA_33:CA        1:ALA_33:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:ALA_33:C         1:THR_34:N         1:THR_34:CA        1:THR_34:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:THR_34:C         1:LEU_35:N         1:LEU_35:CA        1:LEU_35:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:LEU_35:C         1:GLN_36:N         1:GLN_36:CA        1:GLN_36:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:GLN_36:C         1:PRO_37:N         1:PRO_37:CA        1:PRO_37:C          0.00  0.00 90.00 90.00 1000.000  -70.0  -50.0
1:CYSH_4:N         1:CYSH_4:CA        1:CYSH_4:C         1:GLU-_5:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:GLU-_6:N         1:GLU-_6:CA        1:GLU-_6:C         1:PRO_7:N           0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:PRO_7:N          1:PRO_7:CA         1:PRO_7:C          1:THR_8:N           0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:THR_8:N          1:THR_8:CA         1:THR_8:C          1:CYSH_9:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:CYSH_9:N         1:CYSH_9:CA        1:CYSH_9:C         1:ARG+_10:N         0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:ARG+_10:N        1:ARG+_10:CA       1:ARG+_10:C        1:ASN_11:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:ASN_11:N         1:ASN_11:CA        1:ASN_11:C         1:ARG+_12:N         0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:ARG+_12:N        1:ARG+_12:CA       1:ARG+_12:C        1:THR_13:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:THR_13:N         1:THR_13:CA        1:THR_13:C         1:ARG+_14:N         0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:ARG+_14:N        1:ARG+_14:CA       1:ARG+_14:C        1:HIS+_15:N         0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:HIS+_15:N        1:HIS+_15:CA       1:HIS+_15:C        1:LEU_16:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:LEU_16:N         1:LEU_16:CA        1:LEU_16:C         1:PRO_17:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:PRO_17:N         1:PRO_17:CA        1:PRO_17:C         1:LEU_18:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:ALA_33:N         1:ALA_33:CA        1:ALA_33:C         1:THR_34:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:THR_34:N         1:THR_34:CA        1:THR_34:C         1:LEU_35:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:LEU_35:N         1:LEU_35:CA        1:LEU_35:C         1:GLN_36:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0
1:GLN_36:N         1:GLN_36:CA        1:GLN_36:C         1:PRO_37:N          0.00  0.00 90.00 90.00 1000.000  -60.0  -40.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TRP   1          1H        TRP   1  -3.064  -1.969 -12.363
    2   2H    TRP   1          2H        TRP   1  -2.255  -3.382 -11.941
    3   3H    TRP   1          3H        TRP   1  -3.932  -3.377 -12.059
    4    HA   TRP   1           HA       TRP   1  -2.189  -2.136 -10.106
    5   1HB   TRP   1          1HB       TRP   1  -3.840  -0.670  -9.281
    6   2HB   TRP   1          2HB       TRP   1  -4.108  -0.546 -11.009
    7    HD1  TRP   1           HD1      TRP   1  -6.454  -1.785 -11.981
    8    HE1  TRP   1           HE1      TRP   1  -8.761  -2.439 -10.822
    9    HE3  TRP   1           HE3      TRP   1  -4.802  -1.495  -7.162
   10    HZ2  TRP   1           HZ2      TRP   1  -9.542  -2.784  -8.113
   11    HZ3  TRP   1           HZ3      TRP   1  -6.364  -2.010  -5.325
   12    HH2  TRP   1           HH2      TRP   1  -8.696  -2.660  -5.784
   13    H    LEU   2           H        LEU   2  -3.754  -4.697 -10.684
   14    HA   LEU   2           HA       LEU   2  -4.134  -5.756  -7.866
   15   1HB   LEU   2          1HB       LEU   2  -4.189  -7.100 -10.638
   16   2HB   LEU   2          2HB       LEU   2  -3.978  -8.088  -9.222
   17    HG   LEU   2           HG       LEU   2  -6.142  -7.353  -8.236
   18   1HD1  LEU   2          1HD1      LEU   2  -6.585  -5.767 -10.865
   19   2HD1  LEU   2          2HD1      LEU   2  -6.488  -5.088  -9.223
   20   3HD1  LEU   2          3HD1      LEU   2  -7.843  -6.130  -9.658
   21   1HD2  LEU   2          1HD2      LEU   2  -6.358  -8.394 -11.147
   22   2HD2  LEU   2          2HD2      LEU   2  -7.582  -8.598  -9.871
   23   3HD2  LEU   2          3HD2      LEU   2  -6.003  -9.390  -9.714
   24    H    ILE   3           H        ILE   3  -1.676  -6.031 -10.234
   25    HA   ILE   3           HA       ILE   3   0.349  -7.140  -8.398
   26    HB   ILE   3           HB       ILE   3   0.527  -7.138 -10.978
   27   1HG1  ILE   3          1HG1      ILE   3   3.093  -6.680 -11.020
   28   2HG1  ILE   3          2HG1      ILE   3   2.970  -6.298  -9.315
   29   1HG2  ILE   3          1HG2      ILE   3   0.042  -4.687 -11.388
   30   2HG2  ILE   3          2HG2      ILE   3   1.605  -4.261 -10.657
   31   3HG2  ILE   3          3HG2      ILE   3   1.549  -5.221 -12.153
   32   1HD1  ILE   3          1HD1      ILE   3   1.992  -8.687  -8.940
   33   2HD1  ILE   3          2HD1      ILE   3   2.216  -8.995 -10.676
   34   3HD1  ILE   3          3HD1      ILE   3   3.626  -8.690  -9.639
   35    H    CYS   4           H        CYS   4  -0.901  -4.253  -8.495
   36    HA   CYS   4           HA       CYS   4   1.184  -2.732  -6.744
   37   1HB   CYS   4          2HB       CYS   4  -0.984  -1.399  -8.346
   38   2HB   CYS   4          1HB       CYS   4  -1.370  -1.436  -6.822
   39    HG   CYS   4           HG       CYS   4   0.524  -0.613  -5.380
   40    H    GLU   5           H        GLU   5  -2.230  -3.471  -6.356
   41    HA   GLU   5           HA       GLU   5  -2.098  -3.020  -3.556
   42   1HB   GLU   5          2HB       GLU   5  -4.138  -4.208  -3.135
   43   2HB   GLU   5          1HB       GLU   5  -4.241  -3.046  -4.421
   44   1HG   GLU   5          1HG       GLU   5  -4.596  -4.650  -6.110
   45   2HG   GLU   5          2HG       GLU   5  -3.842  -5.984  -5.241
   46    H    GLU   6           H        GLU   6  -1.828  -6.267  -4.853
   47    HA   GLU   6           HA       GLU   6  -1.237  -7.344  -2.103
   48   1HB   GLU   6          1HB       GLU   6  -2.629  -8.647  -3.651
   49   2HB   GLU   6          2HB       GLU   6  -1.310  -8.847  -4.765
   50   1HG   GLU   6          2HG       GLU   6  -1.477 -10.899  -3.490
   51   2HG   GLU   6          1HG       GLU   6  -0.015 -10.143  -2.898
   52    HA   PRO   7           HA       PRO   7   3.252  -7.995  -2.958
   53   1HB   PRO   7          1HB       PRO   7   4.585  -7.514  -5.418
   54   2HB   PRO   7          2HB       PRO   7   4.039  -9.057  -4.748
   55   1HG   PRO   7          1HG       PRO   7   2.733  -7.352  -6.848
   56   2HG   PRO   7          2HG       PRO   7   2.696  -9.107  -6.689
   57   1HD   PRO   7          1HD       PRO   7   0.510  -7.481  -5.980
   58   2HD   PRO   7          2HD       PRO   7   0.848  -9.073  -5.238
   59    H    THR   8           H        THR   8   2.847  -5.133  -5.096
   60    HA   THR   8           HA       THR   8   4.909  -3.764  -3.470
   61    HB   THR   8           HB       THR   8   3.246  -2.562  -5.761
   62    HG1  THR   8           HG1      THR   8   5.820  -3.731  -5.994
   63   1HG2  THR   8          1HG2      THR   8   4.629  -0.769  -4.658
   64   2HG2  THR   8          2HG2      THR   8   6.104  -1.744  -4.853
   65   3HG2  THR   8          3HG2      THR   8   5.252  -1.107  -6.284
   66    H    CYS   9           H        CYS   9   1.779  -3.374  -3.458
   67    HA   CYS   9           HA       CYS   9   1.864  -0.964  -1.729
   68   1HB   CYS   9          1HB       CYS   9  -0.159  -2.245  -3.102
   69   2HB   CYS   9          2HB       CYS   9  -0.892  -2.234  -1.709
   70    HG   CYS   9           HG       CYS   9  -0.653   0.554  -1.592
   71    H    ARG  10           H        ARG  10   1.987  -4.243  -1.229
   72    HA   ARG  10           HA       ARG  10   1.445  -4.406   1.802
   73   1HB   ARG  10          1HB       ARG  10   1.073  -6.281   0.264
   74   2HB   ARG  10          2HB       ARG  10   2.786  -6.418  -0.099
   75   1HG   ARG  10          2HG       ARG  10   3.109  -6.853   2.502
   76   2HG   ARG  10          1HG       ARG  10   1.350  -6.979   2.595
   77   1HD   ARG  10          1HD       ARG  10   1.482  -8.754   0.708
   78   2HD   ARG  10          2HD       ARG  10   3.235  -8.697   0.821
   79    HE   ARG  10           HE       ARG  10   1.259  -9.829   2.791
   80   1HH1  ARG  10          1HH2      ARG  10   4.582  -8.907   2.408
   81   2HH1  ARG  10          2HH2      ARG  10   5.121  -9.986   3.799
   82   1HH2  ARG  10          2HH1      ARG  10   1.908 -10.957   4.276
   83   2HH2  ARG  10          1HH1      ARG  10   3.674 -11.145   4.799
   84    H    ASN  11           H        ASN  11   3.979  -4.069  -0.458
   85    HA   ASN  11           HA       ASN  11   6.200  -3.632   1.628
   86   1HB   ASN  11          1HB       ASN  11   6.238  -3.316  -1.473
   87   2HB   ASN  11          2HB       ASN  11   7.536  -2.747  -0.455
   88   1HD2  ASN  11          2HD2      ASN  11   5.945  -5.726  -1.490
   89   2HD2  ASN  11          1HD2      ASN  11   7.397  -6.734  -0.983
   90    H    ARG  12           H        ARG  12   3.762  -1.732   0.211
   91    HA   ARG  12           HA       ARG  12   5.085   0.701   1.448
   92   1HB   ARG  12          2HB       ARG  12   3.792   2.201   0.446
   93   2HB   ARG  12          1HB       ARG  12   3.633   0.979  -0.778
   94   1HG   ARG  12          1HG       ARG  12   1.302   0.450   0.034
   95   2HG   ARG  12          2HG       ARG  12   1.527   1.467   1.442
   96   1HD   ARG  12          1HD       ARG  12   0.206   2.725  -0.146
   97   2HD   ARG  12          2HD       ARG  12   1.744   3.525  -0.004
   98    HE   ARG  12           HE       ARG  12   0.742   1.793  -2.318
   99   1HH1  ARG  12          1HH1      ARG  12   3.125   4.065  -1.222
  100   2HH1  ARG  12          2HH1      ARG  12   3.772   4.324  -2.933
  101   1HH2  ARG  12          1HH2      ARG  12   1.520   2.085  -4.111
  102   2HH2  ARG  12          2HH2      ARG  12   2.920   3.231  -4.505
  103    H    THR  13           H        THR  13   2.924  -1.676   2.424
  104    HA   THR  13           HA       THR  13   2.728  -0.316   5.072
  105    HB   THR  13           HB       THR  13   2.349  -3.360   4.587
  106    HG1  THR  13           HG1      THR  13   0.964  -1.801   3.349
  107   1HG2  THR  13          1HG2      THR  13   1.084  -1.571   6.772
  108   2HG2  THR  13          2HG2      THR  13   0.772  -3.305   6.533
  109   3HG2  THR  13          3HG2      THR  13   2.386  -2.760   7.040
  110    H    ARG  14           H        ARG  14   5.138  -1.610   3.596
  111    HA   ARG  14           HA       ARG  14   6.772  -1.889   6.155
  112   1HB   ARG  14          1HB       ARG  14   7.764  -2.544   3.288
  113   2HB   ARG  14          2HB       ARG  14   8.843  -2.217   4.613
  114   1HG   ARG  14          2HG       ARG  14   8.786  -4.551   4.701
  115   2HG   ARG  14          1HG       ARG  14   7.667  -4.108   5.969
  116   1HD   ARG  14          1HD       ARG  14   5.798  -4.385   4.068
  117   2HD   ARG  14          2HD       ARG  14   7.055  -5.208   3.152
  118    HE   ARG  14           HE       ARG  14   7.386  -6.708   5.263
  119   1HH1  ARG  14          1HH1      ARG  14   4.268  -5.383   4.424
  120   2HH1  ARG  14          2HH1      ARG  14   3.383  -6.744   5.303
  121   1HH2  ARG  14          1HH2      ARG  14   6.342  -8.094   6.237
  122   2HH2  ARG  14          2HH2      ARG  14   4.490  -8.190   6.299
  123    H    HIS  15           H        HIS  15   5.648   0.415   4.204
  124    HA   HIS  15           HA       HIS  15   7.745   2.480   4.949
  125   1HB   HIS  15          2HB       HIS  15   5.055   3.216   3.801
  126   2HB   HIS  15          1HB       HIS  15   6.439   4.219   4.000
  127    HD1  HIS  15           HD1      HIS  15   5.151   4.474   1.314
  128    HD2  HIS  15           HD2      HIS  15   8.204   1.582   2.234
  129    HE1  HIS  15           HE1      HIS  15   6.358   3.729  -0.833
  130    HE2  HIS  15           HE2      HIS  15   8.203   1.975  -0.405
  131    H    LEU  16           H        LEU  16   5.235   0.787   6.446
  132    HA   LEU  16           HA       LEU  16   3.851   3.150   7.740
  133   1HB   LEU  16          1HB       LEU  16   2.365   1.376   6.667
  134   2HB   LEU  16          2HB       LEU  16   2.887   0.209   7.857
  135    HG   LEU  16           HG       LEU  16   1.637   2.893   8.730
  136   1HD1  LEU  16          1HD2      LEU  16   0.063   1.866   7.060
  137   2HD1  LEU  16          2HD2      LEU  16   0.074   0.331   7.961
  138   3HD1  LEU  16          3HD2      LEU  16  -0.611   1.801   8.696
  139   1HD2  LEU  16          1HD1      LEU  16   0.854   1.543  10.705
  140   2HD2  LEU  16          2HD1      LEU  16   1.639   0.082  10.053
  141   3HD2  LEU  16          3HD1      LEU  16   2.610   1.475  10.580
  142    HA   PRO  17           HA       PRO  17   6.397   1.111  11.381
  143   1HB   PRO  17          1HB       PRO  17   8.609   0.244   9.426
  144   2HB   PRO  17          2HB       PRO  17   8.399  -0.236  11.129
  145   1HG   PRO  17          1HG       PRO  17   7.440  -1.907   9.219
  146   2HG   PRO  17          2HG       PRO  17   6.376  -1.533  10.596
  147   1HD   PRO  17          1HD       PRO  17   6.319  -0.360   7.794
  148   2HD   PRO  17          2HD       PRO  17   4.927  -0.851   8.838
  149    H    LEU  18           H        LEU  18   7.314   2.901   8.465
  150    HA   LEU  18           HA       LEU  18   8.785   4.956  10.239
  151   1HB   LEU  18          2HB       LEU  18   9.522   6.122   8.199
  152   2HB   LEU  18          1HB       LEU  18  10.216   4.555   8.595
  153    HG   LEU  18           HG       LEU  18   8.725   3.583   6.679
  154   1HD1  LEU  18          1HD1      LEU  18   8.826   6.574   5.821
  155   2HD1  LEU  18          2HD1      LEU  18   8.372   5.231   4.764
  156   3HD1  LEU  18          3HD1      LEU  18   7.345   5.661   6.134
  157   1HD2  LEU  18          1HD2      LEU  18  11.148   5.392   6.064
  158   2HD2  LEU  18          2HD2      LEU  18  10.534   4.081   5.026
  159   3HD2  LEU  18          3HD2      LEU  18  11.208   3.701   6.617
  160    H    GLN  19           H        GLN  19   6.276   4.780   7.927
  161    HA   GLN  19           HA       GLN  19   4.274   5.982   7.550
  162   1HB   GLN  19          1HB       GLN  19   4.017   5.072   9.851
  163   2HB   GLN  19          2HB       GLN  19   4.427   6.637  10.536
  164   1HG   GLN  19          2HG       GLN  19   2.308   7.613   9.563
  165   2HG   GLN  19          1HG       GLN  19   2.059   6.182   8.581
  166   1HE2  GLN  19          1HE2      GLN  19   2.456   6.925  12.053
  167   2HE2  GLN  19          2HE2      GLN  19   1.092   5.777  12.512
  168    H    PHE  20           H        PHE  20   6.764   7.681   7.208
  169    HA   PHE  20           HA       PHE  20   5.367  10.367   6.975
  170   1HB   PHE  20          2HB       PHE  20   7.295  11.370   6.055
  171   2HB   PHE  20          1HB       PHE  20   7.538  10.682   7.648
  172    HD1  PHE  20           HD1      PHE  20   9.277   9.123   8.043
  173    HD2  PHE  20           HD2      PHE  20   8.211  10.071   4.012
  174    HE1  PHE  20           HE1      PHE  20  11.390   8.067   7.243
  175    HE2  PHE  20           HE2      PHE  20  10.306   8.989   3.197
  176    HZ   PHE  20           HZ       PHE  20  11.893   8.000   4.820
  177    H    SER  21           H        SER  21   6.131   7.751   4.831
  178    HA   SER  21           HA       SER  21   4.531   9.079   2.535
  179   1HB   SER  21          2HB       SER  21   6.664   7.970   1.897
  180   2HB   SER  21          1HB       SER  21   6.123   6.437   2.597
  181    HG   SER  21           HG       SER  21   4.390   6.428   1.137
  182    H    ARG  22           H        ARG  22   3.127   8.698   4.841
  183    HA   ARG  22           HA       ARG  22   1.228   6.452   4.600
  184   1HB   ARG  22          1HB       ARG  22   0.030   7.453   6.392
  185   2HB   ARG  22          2HB       ARG  22   1.719   7.685   6.713
  186   1HG   ARG  22          1HG       ARG  22  -0.271   9.868   5.818
  187   2HG   ARG  22          2HG       ARG  22   0.362   9.612   7.424
  188   1HD   ARG  22          1HD       ARG  22   2.751  10.133   6.493
  189   2HD   ARG  22          2HD       ARG  22   1.999  10.584   4.988
  190    HE   ARG  22           HE       ARG  22   0.880  12.455   5.970
  191   1HH1  ARG  22          1HH2      ARG  22   2.828  10.786   8.340
  192   2HH1  ARG  22          2HH2      ARG  22   2.816  12.243   9.470
  193   1HH2  ARG  22          1HH1      ARG  22   0.928  13.980   7.257
  194   2HH2  ARG  22          2HH1      ARG  22   1.791  13.973   8.893
  195    H    THR  23           H        THR  23   1.183   9.416   3.671
  196    HA   THR  23           HA       THR  23  -1.360   9.530   1.951
  197    HB   THR  23           HB       THR  23  -0.543  11.744   1.022
  198    HG1  THR  23           HG1      THR  23   1.211  12.097   3.076
  199   1HG2  THR  23          1HG2      THR  23  -0.915  13.118   3.055
  200   2HG2  THR  23          2HG2      THR  23  -2.070  11.768   3.025
  201   3HG2  THR  23          3HG2      THR  23  -0.662  11.707   4.112
  202    H    GLY  24           H        GLY  24   2.048   9.537   1.178
  203   1HA   GLY  24          1HA       GLY  24   3.286   8.658  -0.771
  204   2HA   GLY  24          2HA       GLY  24   2.106   7.389  -0.607
  205    HA   PRO  25           HA       PRO  25   0.360  10.106  -4.252
  206   1HB   PRO  25          1HB       PRO  25   2.813  11.698  -5.111
  207   2HB   PRO  25          2HB       PRO  25   1.109  12.181  -5.110
  208   1HG   PRO  25          1HG       PRO  25   2.726  13.089  -3.132
  209   2HG   PRO  25          2HG       PRO  25   1.119  12.469  -2.676
  210   1HD   PRO  25          1HD       PRO  25   3.805  10.963  -2.544
  211   2HD   PRO  25          2HD       PRO  25   2.548  11.141  -1.286
  212    H    LEU  26           H        LEU  26   1.005   7.744  -4.554
  213    HA   LEU  26           HA       LEU  26   2.224   7.328  -7.360
  214   1HB   LEU  26          2HB       LEU  26   2.177   5.451  -4.907
  215   2HB   LEU  26          1HB       LEU  26   2.563   4.926  -6.524
  216    HG   LEU  26           HG       LEU  26   4.446   6.806  -6.505
  217   1HD1  LEU  26          1HD2      LEU  26   4.026   6.363  -3.460
  218   2HD1  LEU  26          2HD2      LEU  26   3.937   7.902  -4.330
  219   3HD1  LEU  26          3HD2      LEU  26   5.486   7.078  -4.192
  220   1HD2  LEU  26          1HD1      LEU  26   6.065   5.133  -5.612
  221   2HD2  LEU  26          2HD1      LEU  26   4.868   4.334  -6.639
  222   3HD2  LEU  26          3HD1      LEU  26   4.753   4.193  -4.867
  223    H    CYS  27           H        CYS  27  -0.425   5.977  -5.306
  224    HA   CYS  27           HA       CYS  27  -1.947   5.330  -7.855
  225   1HB   CYS  27          1HB       CYS  27  -2.480   3.004  -6.908
  226   2HB   CYS  27          2HB       CYS  27  -0.828   3.262  -7.464
  227    HG   CYS  27           HG       CYS  27  -1.585   3.843  -4.264
  228    HA   PRO  28           HA       PRO  28  -5.278   7.148  -5.435
  229   1HB   PRO  28          1HB       PRO  28  -7.491   6.607  -6.967
  230   2HB   PRO  28          2HB       PRO  28  -6.163   7.651  -7.504
  231   1HG   PRO  28          1HG       PRO  28  -6.566   4.670  -8.144
  232   2HG   PRO  28          2HG       PRO  28  -6.286   5.991  -9.306
  233   1HD   PRO  28          1HD       PRO  28  -4.215   4.405  -8.408
  234   2HD   PRO  28          2HD       PRO  28  -3.954   6.154  -8.708
  235    H    ALA  29           H        ALA  29  -5.119   5.996  -3.541
  236    HA   ALA  29           HA       ALA  29  -5.971   4.854  -1.643
  237   1HB   ALA  29          1HB       ALA  29  -8.630   4.681  -3.165
  238   2HB   ALA  29          2HB       ALA  29  -8.383   4.552  -1.410
  239   3HB   ALA  29          3HB       ALA  29  -8.075   6.094  -2.228
  240    H    CYS  30           H        CYS  30  -4.457   3.365  -3.228
  241    HA   CYS  30           HA       CYS  30  -5.586   0.612  -3.600
  242   1HB   CYS  30          1HB       CYS  30  -4.196   2.045  -5.235
  243   2HB   CYS  30          2HB       CYS  30  -2.832   1.936  -4.103
  244    HG   CYS  30           HG       CYS  30  -2.482   0.508  -6.247
  245    H    MET  31           H        MET  31  -3.987   1.852  -0.911
  246    HA   MET  31           HA       MET  31  -2.627  -0.732  -0.052
  247   1HB   MET  31          2HB       MET  31  -1.612   1.463   0.485
  248   2HB   MET  31          1HB       MET  31  -3.014   1.955   1.418
  249   1HG   MET  31          2HG       MET  31  -1.336  -0.540   2.174
  250   2HG   MET  31          1HG       MET  31  -0.928   1.096   2.718
  251   1HE   MET  31          1HE       MET  31  -2.475  -0.404   5.962
  252   2HE   MET  31          2HE       MET  31  -1.691  -1.430   4.729
  253   3HE   MET  31          3HE       MET  31  -1.000   0.173   5.129
  254    H    LYS  32           H        LYS  32  -5.695   0.952   0.685
  255    HA   LYS  32           HA       LYS  32  -6.636  -1.036   2.657
  256   1HB   LYS  32          1HB       LYS  32  -8.749  -0.017   2.552
  257   2HB   LYS  32          2HB       LYS  32  -7.563   1.266   2.483
  258   1HG   LYS  32          1HG       LYS  32  -7.998   1.064  -0.224
  259   2HG   LYS  32          2HG       LYS  32  -9.462   0.244   0.293
  260   1HD   LYS  32          2HD       LYS  32  -9.877   2.377   1.828
  261   2HD   LYS  32          1HD       LYS  32  -8.534   3.110   0.923
  262   1HE   LYS  32          1HE       LYS  32  -9.809   2.698  -1.257
  263   2HE   LYS  32          2HE       LYS  32 -11.141   1.979  -0.340
  264   1HZ   LYS  32          1HZ       LYS  32 -11.531   4.317  -0.783
  265   2HZ   LYS  32          2HZ       LYS  32 -11.379   4.074   0.874
  266   3HZ   LYS  32          3HZ       LYS  32 -10.112   4.758   0.004
  267    H    ALA  33           H        ALA  33  -6.799  -1.068  -0.814
  268    HA   ALA  33           HA       ALA  33  -8.498  -3.469  -1.195
  269   1HB   ALA  33          1HB       ALA  33  -7.877  -1.829  -2.989
  270   2HB   ALA  33          2HB       ALA  33  -6.164  -2.353  -2.873
  271   3HB   ALA  33          3HB       ALA  33  -7.424  -3.493  -3.423
  272    H    THR  34           H        THR  34  -4.963  -3.157  -0.674
  273    HA   THR  34           HA       THR  34  -4.167  -5.965  -0.678
  274    HB   THR  34           HB       THR  34  -3.107  -3.842   1.291
  275    HG1  THR  34           HG1      THR  34  -1.763  -4.184  -1.066
  276   1HG2  THR  34          1HG2      THR  34  -1.624  -6.156  -0.135
  277   2HG2  THR  34          2HG2      THR  34  -0.908  -4.958   0.970
  278   3HG2  THR  34          3HG2      THR  34  -2.087  -6.133   1.582
  279    H    LEU  35           H        LEU  35  -5.933  -4.129   1.690
  280    HA   LEU  35           HA       LEU  35  -6.018  -6.435   3.660
  281   1HB   LEU  35          2HB       LEU  35  -6.926  -3.542   4.015
  282   2HB   LEU  35          1HB       LEU  35  -7.427  -4.822   5.091
  283    HG   LEU  35           HG       LEU  35  -4.601  -5.301   4.674
  284   1HD1  LEU  35          1HD1      LEU  35  -5.092  -2.312   5.363
  285   2HD1  LEU  35          2HD1      LEU  35  -4.361  -2.939   3.867
  286   3HD1  LEU  35          3HD1      LEU  35  -3.523  -3.156   5.413
  287   1HD2  LEU  35          1HD2      LEU  35  -5.838  -5.795   6.813
  288   2HD2  LEU  35          2HD2      LEU  35  -4.412  -4.786   7.159
  289   3HD2  LEU  35          3HD2      LEU  35  -6.032  -4.058   7.140
  290    H    GLN  36           H        GLN  36  -8.032  -5.404   1.101
  291    HA   GLN  36           HA       GLN  36 -10.301  -7.098   1.849
  292   1HB   GLN  36          1HB       GLN  36  -9.291  -6.424  -0.966
  293   2HB   GLN  36          2HB       GLN  36 -10.720  -7.377  -0.625
  294   1HG   GLN  36          1HG       GLN  36 -11.751  -5.388   0.604
  295   2HG   GLN  36          2HG       GLN  36 -10.305  -4.451   0.296
  296   1HE2  GLN  36          2HE2      GLN  36 -13.212  -5.660  -1.157
  297   2HE2  GLN  36          1HE2      GLN  36 -12.955  -4.726  -2.729
  298    HA   PRO  37           HA       PRO  37  -7.612 -10.917   0.889
  299   1HB   PRO  37          1HB       PRO  37  -4.844  -9.757   0.322
  300   2HB   PRO  37          2HB       PRO  37  -5.529 -11.313  -0.193
  301   1HG   PRO  37          1HG       PRO  37  -5.563  -9.278  -1.965
  302   2HG   PRO  37          2HG       PRO  37  -7.083 -10.193  -1.755
  303   1HD   PRO  37          1HD       PRO  37  -6.251  -7.578  -0.420
  304   2HD   PRO  37          2HD       PRO  37  -7.777  -7.903  -1.311
  305    H    GLU  38           H        GLU  38  -5.560  -8.321   2.712
  306    HA   GLU  38           HA       GLU  38  -4.694 -10.465   4.613
  307   1HB   GLU  38          1HB       GLU  38  -3.289  -8.500   3.747
  308   2HB   GLU  38          2HB       GLU  38  -4.307  -7.417   4.663
  309   1HG   GLU  38          1HG       GLU  38  -3.567  -8.608   6.835
  310   2HG   GLU  38          2HG       GLU  38  -2.571  -9.679   5.867
  Start of MODEL    2
    1   1H    TRP   1          1H        TRP   1  -3.064  -2.008 -12.262
    2   2H    TRP   1          2H        TRP   1  -2.216  -3.383 -11.801
    3   3H    TRP   1          3H        TRP   1  -3.811  -3.466 -12.341
    4    HA   TRP   1           HA       TRP   1  -2.255  -1.831 -10.328
    5   1HB   TRP   1          1HB       TRP   1  -3.946  -0.489  -9.336
    6   2HB   TRP   1          2HB       TRP   1  -4.027  -0.575 -11.099
    7    HD1  TRP   1           HD1      TRP   1  -6.585  -1.867 -11.997
    8    HE1  TRP   1           HE1      TRP   1  -8.623  -2.346 -11.051
    9    HE3  TRP   1           HE3      TRP   1  -4.800  -1.726  -7.014
   10    HZ2  TRP   1           HZ2      TRP   1  -9.353  -2.801  -7.986
   11    HZ3  TRP   1           HZ3      TRP   1  -6.365  -2.412  -5.385
   12    HH2  TRP   1           HH2      TRP   1  -8.637  -2.871  -5.973
   13    H    LEU   2           H        LEU   2  -3.456  -4.793 -10.687
   14    HA   LEU   2           HA       LEU   2  -4.280  -5.792  -7.975
   15   1HB   LEU   2          1HB       LEU   2  -4.262  -7.074 -10.630
   16   2HB   LEU   2          2HB       LEU   2  -4.144  -8.046  -9.356
   17    HG   LEU   2           HG       LEU   2  -6.134  -7.102  -8.293
   18   1HD1  LEU   2          1HD1      LEU   2  -6.551  -5.549 -10.703
   19   2HD1  LEU   2          2HD1      LEU   2  -7.029  -5.364  -9.035
   20   3HD1  LEU   2          3HD1      LEU   2  -7.968  -6.499  -9.906
   21   1HD2  LEU   2          1HD2      LEU   2  -6.411  -8.087 -11.245
   22   2HD2  LEU   2          2HD2      LEU   2  -7.477  -8.930  -9.939
   23   3HD2  LEU   2          3HD2      LEU   2  -5.645  -9.295 -10.193
   24    H    ILE   3           H        ILE   3  -1.613  -5.850 -10.152
   25    HA   ILE   3           HA       ILE   3   0.420  -7.090  -8.491
   26    HB   ILE   3           HB       ILE   3   0.315  -7.061 -10.988
   27   1HG1  ILE   3          1HG1      ILE   3   3.058  -6.749 -11.094
   28   2HG1  ILE   3          2HG1      ILE   3   2.960  -6.316  -9.327
   29   1HG2  ILE   3          1HG2      ILE   3  -0.064  -4.774 -11.302
   30   2HG2  ILE   3          2HG2      ILE   3   1.254  -4.131 -10.603
   31   3HG2  ILE   3          3HG2      ILE   3   1.264  -5.241 -12.021
   32   1HD1  ILE   3          1HD1      ILE   3   1.996  -8.583  -9.063
   33   2HD1  ILE   3          2HD1      ILE   3   2.109  -8.934 -10.806
   34   3HD1  ILE   3          3HD1      ILE   3   3.605  -8.756  -9.714
   35    H    CYS   4           H        CYS   4  -1.090  -4.066  -8.488
   36    HA   CYS   4           HA       CYS   4   1.166  -2.757  -7.284
   37   1HB   CYS   4          2HB       CYS   4  -0.608  -1.490  -8.528
   38   2HB   CYS   4          1HB       CYS   4  -1.651  -1.560  -6.964
   39    HG   CYS   4           HG       CYS   4   0.940  -0.893  -5.458
   40    H    GLU   5           H        GLU   5  -2.353  -3.149  -6.156
   41    HA   GLU   5           HA       GLU   5  -1.978  -2.929  -3.566
   42   1HB   GLU   5          2HB       GLU   5  -4.137  -4.135  -3.149
   43   2HB   GLU   5          1HB       GLU   5  -4.197  -3.020  -4.292
   44   1HG   GLU   5          1HG       GLU   5  -4.689  -4.508  -6.209
   45   2HG   GLU   5          2HG       GLU   5  -3.856  -5.880  -5.238
   46    H    GLU   6           H        GLU   6  -1.537  -6.463  -4.924
   47    HA   GLU   6           HA       GLU   6  -1.273  -7.374  -2.153
   48   1HB   GLU   6          1HB       GLU   6  -2.614  -8.551  -3.512
   49   2HB   GLU   6          2HB       GLU   6  -1.335  -8.789  -4.729
   50   1HG   GLU   6          2HG       GLU   6  -1.713 -10.727  -3.499
   51   2HG   GLU   6          1HG       GLU   6  -0.218 -10.288  -3.098
   52    HA   PRO   7           HA       PRO   7   3.314  -8.134  -2.875
   53   1HB   PRO   7          1HB       PRO   7   4.504  -7.273  -5.474
   54   2HB   PRO   7          2HB       PRO   7   4.175  -8.920  -4.888
   55   1HG   PRO   7          1HG       PRO   7   2.767  -7.150  -6.599
   56   2HG   PRO   7          2HG       PRO   7   2.850  -8.990  -6.786
   57   1HD   PRO   7          1HD       PRO   7   0.566  -7.417  -5.882
   58   2HD   PRO   7          2HD       PRO   7   0.874  -9.077  -5.161
   59    H    THR   8           H        THR   8   2.763  -5.097  -5.041
   60    HA   THR   8           HA       THR   8   5.009  -3.706  -3.829
   61    HB   THR   8           HB       THR   8   3.257  -2.619  -5.869
   62    HG1  THR   8           HG1      THR   8   5.583  -4.157  -5.632
   63   1HG2  THR   8          1HG2      THR   8   4.444  -0.694  -4.875
   64   2HG2  THR   8          2HG2      THR   8   5.750  -1.674  -4.394
   65   3HG2  THR   8          3HG2      THR   8   5.682  -1.395  -6.059
   66    H    CYS   9           H        CYS   9   1.754  -3.417  -3.328
   67    HA   CYS   9           HA       CYS   9   1.905  -0.924  -1.505
   68   1HB   CYS   9          1HB       CYS   9  -0.091  -2.003  -3.338
   69   2HB   CYS   9          2HB       CYS   9  -0.730  -2.085  -1.657
   70    HG   CYS   9           HG       CYS   9  -0.847   0.565  -1.533
   71    H    ARG  10           H        ARG  10   2.098  -4.310  -1.081
   72    HA   ARG  10           HA       ARG  10   1.527  -4.479   1.792
   73   1HB   ARG  10          1HB       ARG  10   1.188  -6.585   0.279
   74   2HB   ARG  10          2HB       ARG  10   2.902  -6.456  -0.028
   75   1HG   ARG  10          2HG       ARG  10   2.742  -6.777   2.807
   76   2HG   ARG  10          1HG       ARG  10   1.112  -6.992   2.371
   77   1HD   ARG  10          1HD       ARG  10   1.647  -8.887   0.713
   78   2HD   ARG  10          2HD       ARG  10   3.324  -8.696   0.989
   79    HE   ARG  10           HE       ARG  10   1.266  -9.731   2.852
   80   1HH1  ARG  10          1HH2      ARG  10   4.884  -8.920   2.443
   81   2HH1  ARG  10          2HH2      ARG  10   5.078 -10.239   3.645
   82   1HH2  ARG  10          2HH1      ARG  10   1.971 -11.032   4.200
   83   2HH2  ARG  10          1HH1      ARG  10   3.602 -11.365   4.677
   84    H    ASN  11           H        ASN  11   4.239  -4.228  -0.569
   85    HA   ASN  11           HA       ASN  11   6.223  -3.813   1.542
   86   1HB   ASN  11          1HB       ASN  11   6.301  -3.390  -1.323
   87   2HB   ASN  11          2HB       ASN  11   7.369  -2.685  -0.398
   88   1HD2  ASN  11          2HD2      ASN  11   5.969  -5.641  -1.608
   89   2HD2  ASN  11          1HD2      ASN  11   7.211  -6.806  -0.912
   90    H    ARG  12           H        ARG  12   3.733  -1.594   0.230
   91    HA   ARG  12           HA       ARG  12   5.043   0.903   1.290
   92   1HB   ARG  12          2HB       ARG  12   3.820   2.174   0.552
   93   2HB   ARG  12          1HB       ARG  12   3.707   1.166  -0.816
   94   1HG   ARG  12          1HG       ARG  12   1.413   0.447   0.086
   95   2HG   ARG  12          2HG       ARG  12   1.571   1.452   1.511
   96   1HD   ARG  12          1HD       ARG  12   0.223   2.677  -0.146
   97   2HD   ARG  12          2HD       ARG  12   1.855   3.675  -0.097
   98    HE   ARG  12           HE       ARG  12   0.527   2.021  -2.383
   99   1HH1  ARG  12          1HH1      ARG  12   3.059   4.235  -1.284
  100   2HH1  ARG  12          2HH1      ARG  12   3.749   4.603  -2.860
  101   1HH2  ARG  12          1HH2      ARG  12   1.527   2.262  -4.543
  102   2HH2  ARG  12          2HH2      ARG  12   3.035   3.216  -4.348
  103    H    THR  13           H        THR  13   3.191  -1.639   2.387
  104    HA   THR  13           HA       THR  13   2.676  -0.283   4.940
  105    HB   THR  13           HB       THR  13   2.375  -3.398   4.571
  106    HG1  THR  13           HG1      THR  13   0.989  -1.307   3.806
  107   1HG2  THR  13          1HG2      THR  13   1.005  -1.784   6.879
  108   2HG2  THR  13          2HG2      THR  13   0.903  -3.622   6.649
  109   3HG2  THR  13          3HG2      THR  13   2.443  -2.760   6.871
  110    H    ARG  14           H        ARG  14   5.148  -1.728   3.712
  111    HA   ARG  14           HA       ARG  14   6.861  -2.015   6.166
  112   1HB   ARG  14          1HB       ARG  14   7.952  -2.451   3.296
  113   2HB   ARG  14          2HB       ARG  14   8.818  -2.405   4.773
  114   1HG   ARG  14          2HG       ARG  14   8.938  -4.558   4.693
  115   2HG   ARG  14          1HG       ARG  14   7.590  -3.998   5.867
  116   1HD   ARG  14          1HD       ARG  14   5.753  -4.375   4.249
  117   2HD   ARG  14          2HD       ARG  14   6.774  -5.407   3.235
  118    HE   ARG  14           HE       ARG  14   7.357  -6.794   5.367
  119   1HH1  ARG  14          1HH1      ARG  14   4.325  -5.442   4.316
  120   2HH1  ARG  14          2HH1      ARG  14   3.321  -6.642   5.224
  121   1HH2  ARG  14          1HH2      ARG  14   6.429  -7.923   6.323
  122   2HH2  ARG  14          2HH2      ARG  14   4.699  -8.450   6.142
  123    H    HIS  15           H        HIS  15   5.782   0.292   3.964
  124    HA   HIS  15           HA       HIS  15   7.648   2.528   4.880
  125   1HB   HIS  15          2HB       HIS  15   5.068   3.287   3.587
  126   2HB   HIS  15          1HB       HIS  15   6.530   4.087   4.121
  127    HD1  HIS  15           HD1      HIS  15   4.977   4.120   1.041
  128    HD2  HIS  15           HD2      HIS  15   8.529   1.893   2.028
  129    HE1  HIS  15           HE1      HIS  15   6.323   3.845  -0.805
  130    HE2  HIS  15           HE2      HIS  15   8.384   2.127  -0.303
  131    H    LEU  16           H        LEU  16   5.151   0.754   6.526
  132    HA   LEU  16           HA       LEU  16   3.663   3.091   7.732
  133   1HB   LEU  16          1HB       LEU  16   2.436   1.563   6.701
  134   2HB   LEU  16          2HB       LEU  16   2.879   0.234   7.697
  135    HG   LEU  16           HG       LEU  16   1.341   2.835   8.635
  136   1HD1  LEU  16          1HD2      LEU  16   0.090   1.846   7.018
  137   2HD1  LEU  16          2HD2      LEU  16   0.009   0.352   7.820
  138   3HD1  LEU  16          3HD2      LEU  16  -0.620   1.876   8.697
  139   1HD2  LEU  16          1HD1      LEU  16   0.641   1.379  10.628
  140   2HD2  LEU  16          2HD1      LEU  16   1.441   0.051  10.127
  141   3HD2  LEU  16          3HD1      LEU  16   2.430   1.322  10.786
  142    HA   PRO  17           HA       PRO  17   6.367   1.114  11.381
  143   1HB   PRO  17          1HB       PRO  17   8.486   0.502   9.467
  144   2HB   PRO  17          2HB       PRO  17   8.413  -0.085  11.238
  145   1HG   PRO  17          1HG       PRO  17   7.221  -1.912   9.219
  146   2HG   PRO  17          2HG       PRO  17   6.166  -1.405  10.514
  147   1HD   PRO  17          1HD       PRO  17   5.945  -0.213   7.953
  148   2HD   PRO  17          2HD       PRO  17   4.764  -0.579   9.251
  149    H    LEU  18           H        LEU  18   7.225   3.037   8.475
  150    HA   LEU  18           HA       LEU  18   8.890   4.966  10.227
  151   1HB   LEU  18          2HB       LEU  18   9.525   6.143   8.188
  152   2HB   LEU  18          1HB       LEU  18  10.170   4.640   8.630
  153    HG   LEU  18           HG       LEU  18   8.787   3.649   6.531
  154   1HD1  LEU  18          1HD1      LEU  18   8.603   6.664   5.678
  155   2HD1  LEU  18          2HD1      LEU  18   8.405   5.183   4.797
  156   3HD1  LEU  18          3HD1      LEU  18   7.273   5.505   6.092
  157   1HD2  LEU  18          1HD2      LEU  18  11.170   5.347   5.921
  158   2HD2  LEU  18          2HD2      LEU  18  10.574   3.801   5.116
  159   3HD2  LEU  18          3HD2      LEU  18  11.116   3.913   6.810
  160    H    GLN  19           H        GLN  19   6.192   4.905   7.826
  161    HA   GLN  19           HA       GLN  19   4.295   5.809   7.662
  162   1HB   GLN  19          1HB       GLN  19   3.962   5.086   9.562
  163   2HB   GLN  19          2HB       GLN  19   4.343   6.257  10.745
  164   1HG   GLN  19          2HG       GLN  19   2.215   7.578   9.604
  165   2HG   GLN  19          1HG       GLN  19   2.111   6.267   8.636
  166   1HE2  GLN  19          1HE2      GLN  19   2.298   6.957  12.055
  167   2HE2  GLN  19          2HE2      GLN  19   1.087   5.749  12.572
  168    H    PHE  20           H        PHE  20   6.751   7.769   7.262
  169    HA   PHE  20           HA       PHE  20   5.444  10.410   7.029
  170   1HB   PHE  20          2HB       PHE  20   7.440  11.312   6.191
  171   2HB   PHE  20          1HB       PHE  20   7.519  10.545   7.756
  172    HD1  PHE  20           HD1      PHE  20   9.406   8.917   7.894
  173    HD2  PHE  20           HD2      PHE  20   8.166   9.895   3.953
  174    HE1  PHE  20           HE1      PHE  20  11.402   8.083   7.150
  175    HE2  PHE  20           HE2      PHE  20  10.356   9.146   3.114
  176    HZ   PHE  20           HZ       PHE  20  11.989   8.013   4.918
  177    H    SER  21           H        SER  21   6.321   7.849   4.694
  178    HA   SER  21           HA       SER  21   4.726   9.212   2.466
  179   1HB   SER  21          2HB       SER  21   6.717   7.754   1.994
  180   2HB   SER  21          1HB       SER  21   5.928   6.384   2.489
  181    HG   SER  21           HG       SER  21   4.070   6.844   1.200
  182    H    ARG  22           H        ARG  22   3.171   8.820   4.510
  183    HA   ARG  22           HA       ARG  22   1.228   6.502   4.666
  184   1HB   ARG  22          1HB       ARG  22   0.081   7.499   6.034
  185   2HB   ARG  22          2HB       ARG  22   1.672   7.651   6.677
  186   1HG   ARG  22          1HG       ARG  22  -0.336   9.861   5.986
  187   2HG   ARG  22          2HG       ARG  22   0.592   9.354   7.419
  188   1HD   ARG  22          1HD       ARG  22   2.506  10.092   6.555
  189   2HD   ARG  22          2HD       ARG  22   1.952  10.438   4.913
  190    HE   ARG  22           HE       ARG  22   0.470  12.352   6.460
  191   1HH1  ARG  22          1HH2      ARG  22   2.879  10.691   8.688
  192   2HH1  ARG  22          2HH2      ARG  22   2.837  12.295   9.433
  193   1HH2  ARG  22          1HH1      ARG  22   1.108  14.165   7.383
  194   2HH2  ARG  22          2HH1      ARG  22   2.311  13.919   8.658
  195    H    THR  23           H        THR  23   1.133   9.626   3.568
  196    HA   THR  23           HA       THR  23  -1.409   9.361   2.032
  197    HB   THR  23           HB       THR  23  -0.514  11.914   0.946
  198    HG1  THR  23           HG1      THR  23   1.221  11.971   3.155
  199   1HG2  THR  23          1HG2      THR  23  -0.773  13.140   2.950
  200   2HG2  THR  23          2HG2      THR  23  -2.082  11.997   3.011
  201   3HG2  THR  23          3HG2      THR  23  -0.665  11.687   3.999
  202    H    GLY  24           H        GLY  24   1.951   9.909   0.689
  203   1HA   GLY  24          1HA       GLY  24   3.452   8.301  -0.591
  204   2HA   GLY  24          2HA       GLY  24   1.973   7.396  -0.771
  205    HA   PRO  25           HA       PRO  25   0.357  10.194  -4.171
  206   1HB   PRO  25          1HB       PRO  25   2.747  11.692  -5.321
  207   2HB   PRO  25          2HB       PRO  25   1.015  12.284  -4.949
  208   1HG   PRO  25          1HG       PRO  25   2.871  13.279  -3.252
  209   2HG   PRO  25          2HG       PRO  25   1.283  12.441  -2.775
  210   1HD   PRO  25          1HD       PRO  25   3.816  10.886  -2.145
  211   2HD   PRO  25          2HD       PRO  25   2.151  11.071  -1.365
  212    H    LEU  26           H        LEU  26   0.779   7.812  -4.651
  213    HA   LEU  26           HA       LEU  26   2.365   7.282  -7.273
  214   1HB   LEU  26          2HB       LEU  26   2.064   5.271  -4.967
  215   2HB   LEU  26          1HB       LEU  26   2.588   5.135  -6.670
  216    HG   LEU  26           HG       LEU  26   4.334   6.901  -6.562
  217   1HD1  LEU  26          1HD2      LEU  26   3.816   6.469  -3.517
  218   2HD1  LEU  26          2HD2      LEU  26   4.235   7.863  -4.321
  219   3HD1  LEU  26          3HD2      LEU  26   5.499   6.803  -4.017
  220   1HD2  LEU  26          1HD1      LEU  26   6.052   5.289  -5.836
  221   2HD2  LEU  26          2HD1      LEU  26   4.894   4.268  -6.789
  222   3HD2  LEU  26          3HD1      LEU  26   4.865   3.974  -5.032
  223    H    CYS  27           H        CYS  27  -0.198   5.905  -5.236
  224    HA   CYS  27           HA       CYS  27  -1.919   5.262  -7.724
  225   1HB   CYS  27          1HB       CYS  27  -2.303   2.967  -7.267
  226   2HB   CYS  27          2HB       CYS  27  -0.725   3.653  -7.394
  227    HG   CYS  27           HG       CYS  27  -1.275   3.887  -4.259
  228    HA   PRO  28           HA       PRO  28  -5.516   7.067  -5.434
  229   1HB   PRO  28          1HB       PRO  28  -7.688   6.526  -6.799
  230   2HB   PRO  28          2HB       PRO  28  -6.300   7.681  -7.208
  231   1HG   PRO  28          1HG       PRO  28  -6.539   4.664  -8.038
  232   2HG   PRO  28          2HG       PRO  28  -6.520   5.735  -9.279
  233   1HD   PRO  28          1HD       PRO  28  -4.161   4.282  -8.255
  234   2HD   PRO  28          2HD       PRO  28  -3.923   6.003  -8.836
  235    H    ALA  29           H        ALA  29  -5.195   6.224  -3.567
  236    HA   ALA  29           HA       ALA  29  -5.819   4.996  -1.834
  237   1HB   ALA  29          1HB       ALA  29  -8.466   4.798  -3.366
  238   2HB   ALA  29          2HB       ALA  29  -8.701   4.363  -1.615
  239   3HB   ALA  29          3HB       ALA  29  -8.275   6.048  -2.340
  240    H    CYS  30           H        CYS  30  -4.134   3.139  -2.964
  241    HA   CYS  30           HA       CYS  30  -5.626   0.521  -3.443
  242   1HB   CYS  30          1HB       CYS  30  -4.227   1.976  -5.175
  243   2HB   CYS  30          2HB       CYS  30  -2.995   1.892  -4.181
  244    HG   CYS  30           HG       CYS  30  -2.283   0.590  -5.841
  245    H    MET  31           H        MET  31  -3.657   1.913  -0.836
  246    HA   MET  31           HA       MET  31  -2.700  -0.560  -0.042
  247   1HB   MET  31          2HB       MET  31  -1.472   1.365   0.411
  248   2HB   MET  31          1HB       MET  31  -2.813   2.078   1.269
  249   1HG   MET  31          2HG       MET  31  -1.436  -0.605   2.049
  250   2HG   MET  31          1HG       MET  31  -0.843   0.950   2.456
  251   1HE   MET  31          1HE       MET  31  -2.431   0.001   6.061
  252   2HE   MET  31          2HE       MET  31  -2.058  -1.542   4.826
  253   3HE   MET  31          3HE       MET  31  -0.905  -0.063   4.996
  254    H    LYS  32           H        LYS  32  -5.726   0.866   0.531
  255    HA   LYS  32           HA       LYS  32  -6.602  -1.101   2.688
  256   1HB   LYS  32          1HB       LYS  32  -8.875  -0.094   2.507
  257   2HB   LYS  32          2HB       LYS  32  -7.577   1.193   2.650
  258   1HG   LYS  32          1HG       LYS  32  -7.895   1.111  -0.042
  259   2HG   LYS  32          2HG       LYS  32  -9.435   0.242   0.246
  260   1HD   LYS  32          2HD       LYS  32  -9.696   2.631   1.769
  261   2HD   LYS  32          1HD       LYS  32  -8.457   3.077   0.749
  262   1HE   LYS  32          1HE       LYS  32  -9.654   2.571  -1.103
  263   2HE   LYS  32          2HE       LYS  32 -11.161   2.028  -0.240
  264   1HZ   LYS  32          1HZ       LYS  32 -11.261   4.471  -0.885
  265   2HZ   LYS  32          2HZ       LYS  32 -11.640   4.061   0.577
  266   3HZ   LYS  32          3HZ       LYS  32 -10.224   4.903   0.230
  267    H    ALA  33           H        ALA  33  -6.506  -1.258  -0.450
  268    HA   ALA  33           HA       ALA  33  -8.498  -3.523  -1.070
  269   1HB   ALA  33          1HB       ALA  33  -7.785  -1.903  -3.075
  270   2HB   ALA  33          2HB       ALA  33  -6.094  -2.466  -2.738
  271   3HB   ALA  33          3HB       ALA  33  -7.382  -3.504  -3.389
  272    H    THR  34           H        THR  34  -5.173  -3.183  -0.796
  273    HA   THR  34           HA       THR  34  -4.259  -5.809  -0.871
  274    HB   THR  34           HB       THR  34  -3.118  -3.808   1.211
  275    HG1  THR  34           HG1      THR  34  -1.625  -3.914  -0.898
  276   1HG2  THR  34          1HG2      THR  34  -1.635  -6.047  -0.267
  277   2HG2  THR  34          2HG2      THR  34  -1.009  -4.746   0.955
  278   3HG2  THR  34          3HG2      THR  34  -2.195  -6.080   1.598
  279    H    LEU  35           H        LEU  35  -6.186  -4.248   1.776
  280    HA   LEU  35           HA       LEU  35  -6.106  -6.451   3.791
  281   1HB   LEU  35          2HB       LEU  35  -6.975  -3.620   3.992
  282   2HB   LEU  35          1HB       LEU  35  -7.323  -4.739   5.196
  283    HG   LEU  35           HG       LEU  35  -4.563  -5.336   4.869
  284   1HD1  LEU  35          1HD1      LEU  35  -4.635  -2.361   5.678
  285   2HD1  LEU  35          2HD1      LEU  35  -4.433  -2.849   3.952
  286   3HD1  LEU  35          3HD1      LEU  35  -3.222  -3.446   5.247
  287   1HD2  LEU  35          1HD2      LEU  35  -5.571  -5.708   6.982
  288   2HD2  LEU  35          2HD2      LEU  35  -4.141  -4.728   6.922
  289   3HD2  LEU  35          3HD2      LEU  35  -5.858  -3.936   7.361
  290    H    GLN  36           H        GLN  36  -8.419  -5.166   1.280
  291    HA   GLN  36           HA       GLN  36 -10.230  -7.151   1.964
  292   1HB   GLN  36          1HB       GLN  36  -9.181  -6.666  -0.821
  293   2HB   GLN  36          2HB       GLN  36 -10.705  -7.285  -0.540
  294   1HG   GLN  36          1HG       GLN  36 -11.625  -5.685   0.437
  295   2HG   GLN  36          2HG       GLN  36 -10.465  -4.412   0.397
  296   1HE2  GLN  36          2HE2      GLN  36 -13.150  -5.838  -1.248
  297   2HE2  GLN  36          1HE2      GLN  36 -13.254  -4.454  -2.380
  298    HA   PRO  37           HA       PRO  37  -7.571 -11.014   0.731
  299   1HB   PRO  37          1HB       PRO  37  -4.748 -10.035   0.299
  300   2HB   PRO  37          2HB       PRO  37  -5.902 -11.247  -0.398
  301   1HG   PRO  37          1HG       PRO  37  -5.521  -9.048  -1.745
  302   2HG   PRO  37          2HG       PRO  37  -6.895 -10.172  -1.832
  303   1HD   PRO  37          1HD       PRO  37  -6.275  -7.624  -0.525
  304   2HD   PRO  37          2HD       PRO  37  -7.683  -8.215  -1.498
  305    H    GLU  38           H        GLU  38  -5.629  -8.376   2.616
  306    HA   GLU  38           HA       GLU  38  -4.611 -10.512   4.619
  307   1HB   GLU  38          1HB       GLU  38  -3.209  -8.587   3.785
  308   2HB   GLU  38          2HB       GLU  38  -4.379  -7.387   4.573
  309   1HG   GLU  38          1HG       GLU  38  -3.664  -8.459   6.892
  310   2HG   GLU  38          2HG       GLU  38  -2.602  -9.751   5.926
  Start of MODEL    3
    1   1H    TRP   1          1H        TRP   1  -2.873  -2.275 -12.592
    2   2H    TRP   1          2H        TRP   1  -2.269  -3.446 -12.155
    3   3H    TRP   1          3H        TRP   1  -3.844  -3.599 -11.985
    4    HA   TRP   1           HA       TRP   1  -2.049  -2.112 -10.239
    5   1HB   TRP   1          1HB       TRP   1  -3.593  -0.659  -9.382
    6   2HB   TRP   1          2HB       TRP   1  -4.146  -0.443 -11.048
    7    HD1  TRP   1           HD1      TRP   1  -6.139  -1.872 -11.999
    8    HE1  TRP   1           HE1      TRP   1  -8.756  -2.342 -10.881
    9    HE3  TRP   1           HE3      TRP   1  -4.722  -1.837  -7.212
   10    HZ2  TRP   1           HZ2      TRP   1  -9.470  -2.785  -8.432
   11    HZ3  TRP   1           HZ3      TRP   1  -6.281  -2.280  -5.224
   12    HH2  TRP   1           HH2      TRP   1  -8.630  -2.772  -5.990
   13    H    LEU   2           H        LEU   2  -3.685  -4.872 -10.829
   14    HA   LEU   2           HA       LEU   2  -4.230  -5.660  -7.932
   15   1HB   LEU   2          1HB       LEU   2  -4.386  -7.036 -10.800
   16   2HB   LEU   2          2HB       LEU   2  -4.194  -7.958  -9.134
   17    HG   LEU   2           HG       LEU   2  -6.392  -7.781  -8.458
   18   1HD1  LEU   2          1HD1      LEU   2  -6.823  -5.372 -10.645
   19   2HD1  LEU   2          2HD1      LEU   2  -7.556  -5.597  -9.013
   20   3HD1  LEU   2          3HD1      LEU   2  -7.906  -6.666 -10.436
   21   1HD2  LEU   2          1HD2      LEU   2  -6.717  -8.388 -11.470
   22   2HD2  LEU   2          2HD2      LEU   2  -7.070  -9.271  -9.933
   23   3HD2  LEU   2          3HD2      LEU   2  -5.509  -9.220 -10.492
   24    H    ILE   3           H        ILE   3  -1.704  -5.686 -10.107
   25    HA   ILE   3           HA       ILE   3   0.256  -7.134  -8.253
   26    HB   ILE   3           HB       ILE   3   0.543  -7.236 -10.845
   27   1HG1  ILE   3          1HG1      ILE   3   2.944  -6.393 -11.196
   28   2HG1  ILE   3          2HG1      ILE   3   3.078  -6.288  -9.376
   29   1HG2  ILE   3          1HG2      ILE   3  -0.241  -4.759 -11.217
   30   2HG2  ILE   3          2HG2      ILE   3   1.420  -4.281 -10.472
   31   3HG2  ILE   3          3HG2      ILE   3   1.412  -4.985 -11.857
   32   1HD1  ILE   3          1HD1      ILE   3   2.047  -8.686  -9.101
   33   2HD1  ILE   3          2HD1      ILE   3   2.135  -8.873 -10.973
   34   3HD1  ILE   3          3HD1      ILE   3   3.639  -8.692  -9.902
   35    H    CYS   4           H        CYS   4  -0.951  -4.261  -8.631
   36    HA   CYS   4           HA       CYS   4   1.101  -2.472  -7.004
   37   1HB   CYS   4          2HB       CYS   4  -0.660  -1.218  -8.479
   38   2HB   CYS   4          1HB       CYS   4  -1.811  -1.572  -7.374
   39    HG   CYS   4           HG       CYS   4   1.226  -1.108  -5.791
   40    H    GLU   5           H        GLU   5  -2.070  -2.941  -6.187
   41    HA   GLU   5           HA       GLU   5  -2.169  -2.956  -3.525
   42   1HB   GLU   5          2HB       GLU   5  -3.976  -4.194  -3.040
   43   2HB   GLU   5          1HB       GLU   5  -4.022  -2.842  -4.469
   44   1HG   GLU   5          1HG       GLU   5  -4.268  -4.311  -6.270
   45   2HG   GLU   5          2HG       GLU   5  -3.720  -5.747  -5.145
   46    H    GLU   6           H        GLU   6  -1.555  -6.158  -4.892
   47    HA   GLU   6           HA       GLU   6  -1.117  -7.176  -2.148
   48   1HB   GLU   6          1HB       GLU   6  -2.616  -8.399  -3.622
   49   2HB   GLU   6          2HB       GLU   6  -1.415  -8.831  -4.703
   50   1HG   GLU   6          2HG       GLU   6  -2.015 -10.563  -3.504
   51   2HG   GLU   6          1HG       GLU   6  -0.329 -10.274  -3.105
   52    HA   PRO   7           HA       PRO   7   3.440  -8.197  -2.983
   53   1HB   PRO   7          1HB       PRO   7   4.504  -7.095  -5.493
   54   2HB   PRO   7          2HB       PRO   7   4.399  -8.745  -4.954
   55   1HG   PRO   7          1HG       PRO   7   2.673  -7.213  -6.871
   56   2HG   PRO   7          2HG       PRO   7   2.839  -8.784  -6.966
   57   1HD   PRO   7          1HD       PRO   7   0.393  -7.699  -5.906
   58   2HD   PRO   7          2HD       PRO   7   1.059  -9.146  -5.278
   59    H    THR   8           H        THR   8   2.748  -5.055  -4.949
   60    HA   THR   8           HA       THR   8   4.913  -3.829  -3.690
   61    HB   THR   8           HB       THR   8   3.170  -2.371  -5.817
   62    HG1  THR   8           HG1      THR   8   4.992  -4.262  -5.281
   63   1HG2  THR   8          1HG2      THR   8   4.543  -0.589  -5.481
   64   2HG2  THR   8          2HG2      THR   8   5.434  -1.410  -4.091
   65   3HG2  THR   8          3HG2      THR   8   5.849  -1.441  -5.748
   66    H    CYS   9           H        CYS   9   1.933  -3.439  -3.262
   67    HA   CYS   9           HA       CYS   9   1.753  -0.874  -1.514
   68   1HB   CYS   9          1HB       CYS   9  -0.057  -2.181  -3.347
   69   2HB   CYS   9          2HB       CYS   9  -0.748  -1.981  -1.792
   70    HG   CYS   9           HG       CYS   9  -0.928   0.189  -1.457
   71    H    ARG  10           H        ARG  10   1.832  -4.340  -1.176
   72    HA   ARG  10           HA       ARG  10   1.440  -4.488   1.767
   73   1HB   ARG  10          1HB       ARG  10   1.197  -6.461   0.252
   74   2HB   ARG  10          2HB       ARG  10   2.939  -6.642   0.026
   75   1HG   ARG  10          2HG       ARG  10   2.718  -6.800   2.725
   76   2HG   ARG  10          1HG       ARG  10   0.953  -7.257   2.335
   77   1HD   ARG  10          1HD       ARG  10   1.838  -8.610   0.463
   78   2HD   ARG  10          2HD       ARG  10   3.425  -8.479   1.030
   79    HE   ARG  10           HE       ARG  10   1.296  -9.812   2.755
   80   1HH1  ARG  10          1HH2      ARG  10   4.824  -9.051   2.235
   81   2HH1  ARG  10          2HH2      ARG  10   5.170 -10.259   3.580
   82   1HH2  ARG  10          2HH1      ARG  10   1.941 -11.036   4.336
   83   2HH2  ARG  10          1HH1      ARG  10   3.807 -11.022   4.536
   84    H    ASN  11           H        ASN  11   4.357  -4.513  -0.481
   85    HA   ASN  11           HA       ASN  11   6.096  -3.573   1.818
   86   1HB   ASN  11          1HB       ASN  11   6.194  -3.329  -1.235
   87   2HB   ASN  11          2HB       ASN  11   7.607  -2.940  -0.365
   88   1HD2  ASN  11          2HD2      ASN  11   6.054  -5.552  -1.661
   89   2HD2  ASN  11          1HD2      ASN  11   7.010  -6.878  -0.882
   90    H    ARG  12           H        ARG  12   3.777  -1.586   0.059
   91    HA   ARG  12           HA       ARG  12   5.310   0.746   1.221
   92   1HB   ARG  12          2HB       ARG  12   3.667   2.319   0.533
   93   2HB   ARG  12          1HB       ARG  12   3.772   1.155  -0.707
   94   1HG   ARG  12          1HG       ARG  12   1.274   0.620   0.075
   95   2HG   ARG  12          2HG       ARG  12   1.639   1.750   1.493
   96   1HD   ARG  12          1HD       ARG  12   0.309   3.026   0.104
   97   2HD   ARG  12          2HD       ARG  12   2.039   3.562  -0.143
   98    HE   ARG  12           HE       ARG  12   0.465   2.039  -2.194
   99   1HH1  ARG  12          1HH1      ARG  12   3.242   4.289  -1.265
  100   2HH1  ARG  12          2HH1      ARG  12   3.664   4.373  -3.086
  101   1HH2  ARG  12          1HH2      ARG  12   1.416   2.251  -4.422
  102   2HH2  ARG  12          2HH2      ARG  12   3.013   3.152  -4.637
  103    H    THR  13           H        THR  13   3.269  -1.868   2.570
  104    HA   THR  13           HA       THR  13   2.423  -0.469   5.105
  105    HB   THR  13           HB       THR  13   2.226  -3.402   4.388
  106    HG1  THR  13           HG1      THR  13   0.496  -1.261   4.393
  107   1HG2  THR  13          1HG2      THR  13   0.882  -2.000   6.781
  108   2HG2  THR  13          2HG2      THR  13   1.051  -3.883   6.373
  109   3HG2  THR  13          3HG2      THR  13   2.400  -2.856   6.994
  110    H    ARG  14           H        ARG  14   5.164  -1.848   3.743
  111    HA   ARG  14           HA       ARG  14   6.725  -1.920   6.282
  112   1HB   ARG  14          1HB       ARG  14   7.917  -2.486   3.273
  113   2HB   ARG  14          2HB       ARG  14   8.813  -2.261   4.843
  114   1HG   ARG  14          2HG       ARG  14   8.834  -4.697   4.488
  115   2HG   ARG  14          1HG       ARG  14   8.035  -4.418   5.839
  116   1HD   ARG  14          1HD       ARG  14   5.843  -4.349   4.342
  117   2HD   ARG  14          2HD       ARG  14   6.896  -5.028   3.135
  118    HE   ARG  14           HE       ARG  14   7.457  -6.623   5.310
  119   1HH1  ARG  14          1HH1      ARG  14   4.186  -5.402   4.266
  120   2HH1  ARG  14          2HH1      ARG  14   3.437  -6.772   5.228
  121   1HH2  ARG  14          1HH2      ARG  14   6.487  -8.112   6.370
  122   2HH2  ARG  14          2HH2      ARG  14   4.724  -8.471   5.953
  123    H    HIS  15           H        HIS  15   5.587   0.286   4.293
  124    HA   HIS  15           HA       HIS  15   7.701   2.355   4.987
  125   1HB   HIS  15          2HB       HIS  15   4.981   3.107   3.717
  126   2HB   HIS  15          1HB       HIS  15   6.351   4.211   3.959
  127    HD1  HIS  15           HD1      HIS  15   4.986   3.709   1.635
  128    HD2  HIS  15           HD2      HIS  15   8.482   1.807   2.262
  129    HE1  HIS  15           HE1      HIS  15   6.443   3.828  -0.754
  130    HE2  HIS  15           HE2      HIS  15   8.396   2.513  -0.388
  131    H    LEU  16           H        LEU  16   5.074   0.806   6.370
  132    HA   LEU  16           HA       LEU  16   3.719   3.124   7.891
  133   1HB   LEU  16          1HB       LEU  16   2.323   1.512   6.734
  134   2HB   LEU  16          2HB       LEU  16   2.781   0.240   7.596
  135    HG   LEU  16           HG       LEU  16   1.714   2.726   8.861
  136   1HD1  LEU  16          1HD2      LEU  16   0.134   1.831   6.965
  137   2HD1  LEU  16          2HD2      LEU  16  -0.058   0.283   7.801
  138   3HD1  LEU  16          3HD2      LEU  16  -0.893   1.588   8.426
  139   1HD2  LEU  16          1HD1      LEU  16   0.506   1.515  10.560
  140   2HD2  LEU  16          2HD1      LEU  16   1.432  -0.077   9.972
  141   3HD2  LEU  16          3HD1      LEU  16   2.336   1.477  10.573
  142    HA   PRO  17           HA       PRO  17   6.164   1.303  11.367
  143   1HB   PRO  17          1HB       PRO  17   8.658   0.213   9.623
  144   2HB   PRO  17          2HB       PRO  17   8.145  -0.111  11.333
  145   1HG   PRO  17          1HG       PRO  17   7.430  -1.641   9.215
  146   2HG   PRO  17          2HG       PRO  17   6.553  -1.456  10.838
  147   1HD   PRO  17          1HD       PRO  17   5.735  -0.682   8.122
  148   2HD   PRO  17          2HD       PRO  17   4.714  -0.686   9.432
  149    H    LEU  18           H        LEU  18   7.305   2.863   8.444
  150    HA   LEU  18           HA       LEU  18   8.924   4.942  10.124
  151   1HB   LEU  18          2HB       LEU  18   9.539   6.204   8.193
  152   2HB   LEU  18          1HB       LEU  18  10.218   4.519   8.434
  153    HG   LEU  18           HG       LEU  18   8.737   3.732   6.604
  154   1HD1  LEU  18          1HD1      LEU  18   8.517   6.631   5.927
  155   2HD1  LEU  18          2HD1      LEU  18   8.171   5.301   4.708
  156   3HD1  LEU  18          3HD1      LEU  18   7.199   5.715   5.960
  157   1HD2  LEU  18          1HD2      LEU  18  10.884   5.400   5.592
  158   2HD2  LEU  18          2HD2      LEU  18  10.494   3.796   5.155
  159   3HD2  LEU  18          3HD2      LEU  18  11.348   3.973   6.692
  160    H    GLN  19           H        GLN  19   6.367   4.928   7.813
  161    HA   GLN  19           HA       GLN  19   4.330   6.034   7.580
  162   1HB   GLN  19          1HB       GLN  19   3.806   5.038   9.736
  163   2HB   GLN  19          2HB       GLN  19   4.564   6.439  10.600
  164   1HG   GLN  19          2HG       GLN  19   2.422   7.627   9.667
  165   2HG   GLN  19          1HG       GLN  19   2.172   6.266   8.649
  166   1HE2  GLN  19          1HE2      GLN  19   2.100   7.097  12.134
  167   2HE2  GLN  19          2HE2      GLN  19   0.926   5.709  12.526
  168    H    PHE  20           H        PHE  20   6.746   7.776   7.185
  169    HA   PHE  20           HA       PHE  20   5.393  10.467   7.022
  170   1HB   PHE  20          2HB       PHE  20   7.328  11.413   6.579
  171   2HB   PHE  20          1HB       PHE  20   7.551  10.191   7.795
  172    HD1  PHE  20           HD1      PHE  20   9.290   8.864   7.814
  173    HD2  PHE  20           HD2      PHE  20   8.405  10.211   3.814
  174    HE1  PHE  20           HE1      PHE  20  11.412   7.909   7.021
  175    HE2  PHE  20           HE2      PHE  20  10.438   9.197   2.977
  176    HZ   PHE  20           HZ       PHE  20  12.035   8.224   4.480
  177    H    SER  21           H        SER  21   6.269   7.792   4.661
  178    HA   SER  21           HA       SER  21   4.543   9.173   2.554
  179   1HB   SER  21          2HB       SER  21   6.692   7.582   1.825
  180   2HB   SER  21          1HB       SER  21   5.808   6.495   2.901
  181    HG   SER  21           HG       SER  21   4.038   7.413   1.340
  182    H    ARG  22           H        ARG  22   3.168   8.757   4.731
  183    HA   ARG  22           HA       ARG  22   1.404   6.470   4.351
  184   1HB   ARG  22          1HB       ARG  22   0.148   7.445   6.294
  185   2HB   ARG  22          2HB       ARG  22   1.817   7.644   6.406
  186   1HG   ARG  22          1HG       ARG  22  -0.432   9.457   6.062
  187   2HG   ARG  22          2HG       ARG  22   0.429   9.381   7.383
  188   1HD   ARG  22          1HD       ARG  22   2.577  10.223   6.257
  189   2HD   ARG  22          2HD       ARG  22   1.785  10.718   4.933
  190    HE   ARG  22           HE       ARG  22   0.281  12.174   6.381
  191   1HH1  ARG  22          1HH2      ARG  22   2.807  10.596   8.518
  192   2HH1  ARG  22          2HH2      ARG  22   2.920  12.210   9.448
  193   1HH2  ARG  22          1HH1      ARG  22   1.090  14.135   7.534
  194   2HH2  ARG  22          2HH1      ARG  22   2.465  13.814   8.695
  195    H    THR  23           H        THR  23   1.098   9.423   3.471
  196    HA   THR  23           HA       THR  23  -1.477   9.553   1.877
  197    HB   THR  23           HB       THR  23  -0.639  11.553   0.805
  198    HG1  THR  23           HG1      THR  23   1.153  11.738   3.203
  199   1HG2  THR  23          1HG2      THR  23  -0.765  13.187   3.055
  200   2HG2  THR  23          2HG2      THR  23  -2.084  12.132   2.829
  201   3HG2  THR  23          3HG2      THR  23  -0.817  11.870   4.011
  202    H    GLY  24           H        GLY  24   2.250   9.707   0.616
  203   1HA   GLY  24          1HA       GLY  24   3.498   8.330  -0.804
  204   2HA   GLY  24          2HA       GLY  24   2.135   7.220  -0.684
  205    HA   PRO  25           HA       PRO  25   0.418  10.311  -3.959
  206   1HB   PRO  25          1HB       PRO  25   2.625  11.893  -5.469
  207   2HB   PRO  25          2HB       PRO  25   0.984  12.180  -5.225
  208   1HG   PRO  25          1HG       PRO  25   3.137  13.202  -3.497
  209   2HG   PRO  25          2HG       PRO  25   1.542  12.924  -3.001
  210   1HD   PRO  25          1HD       PRO  25   3.707  11.158  -1.882
  211   2HD   PRO  25          2HD       PRO  25   2.068  11.494  -1.489
  212    H    LEU  26           H        LEU  26   0.526   7.883  -4.851
  213    HA   LEU  26           HA       LEU  26   2.028   7.423  -7.384
  214   1HB   LEU  26          2HB       LEU  26   2.144   5.160  -4.975
  215   2HB   LEU  26          1HB       LEU  26   2.590   4.996  -6.657
  216    HG   LEU  26           HG       LEU  26   4.491   6.822  -6.470
  217   1HD1  LEU  26          1HD2      LEU  26   3.716   6.404  -3.571
  218   2HD1  LEU  26          2HD2      LEU  26   4.445   7.810  -4.402
  219   3HD1  LEU  26          3HD2      LEU  26   5.327   6.241  -4.087
  220   1HD2  LEU  26          1HD1      LEU  26   6.113   5.111  -5.987
  221   2HD2  LEU  26          2HD1      LEU  26   4.701   4.507  -7.061
  222   3HD2  LEU  26          3HD1      LEU  26   4.788   4.226  -5.023
  223    H    CYS  27           H        CYS  27  -0.285   5.741  -5.150
  224    HA   CYS  27           HA       CYS  27  -1.844   5.443  -7.690
  225   1HB   CYS  27          1HB       CYS  27  -2.222   2.911  -7.090
  226   2HB   CYS  27          2HB       CYS  27  -0.599   3.304  -7.276
  227    HG   CYS  27           HG       CYS  27  -1.115   4.203  -4.275
  228    HA   PRO  28           HA       PRO  28  -5.141   7.027  -5.422
  229   1HB   PRO  28          1HB       PRO  28  -7.732   6.201  -6.807
  230   2HB   PRO  28          2HB       PRO  28  -6.679   7.664  -7.119
  231   1HG   PRO  28          1HG       PRO  28  -6.553   4.600  -7.907
  232   2HG   PRO  28          2HG       PRO  28  -6.434   6.116  -9.194
  233   1HD   PRO  28          1HD       PRO  28  -4.570   4.302  -8.454
  234   2HD   PRO  28          2HD       PRO  28  -3.836   5.827  -8.797
  235    H    ALA  29           H        ALA  29  -5.049   6.116  -3.378
  236    HA   ALA  29           HA       ALA  29  -6.113   4.991  -1.542
  237   1HB   ALA  29          1HB       ALA  29  -8.633   4.782  -3.448
  238   2HB   ALA  29          2HB       ALA  29  -8.463   4.317  -1.565
  239   3HB   ALA  29          3HB       ALA  29  -8.102   5.993  -2.054
  240    H    CYS  30           H        CYS  30  -4.135   3.313  -2.824
  241    HA   CYS  30           HA       CYS  30  -5.692   0.560  -3.630
  242   1HB   CYS  30          1HB       CYS  30  -4.628   1.575  -5.158
  243   2HB   CYS  30          2HB       CYS  30  -2.988   1.696  -4.238
  244    HG   CYS  30           HG       CYS  30  -1.900   0.547  -5.531
  245    H    MET  31           H        MET  31  -3.800   1.879  -1.291
  246    HA   MET  31           HA       MET  31  -2.577  -0.468  -0.059
  247   1HB   MET  31          2HB       MET  31  -1.439   1.300   0.387
  248   2HB   MET  31          1HB       MET  31  -2.534   2.120   1.457
  249   1HG   MET  31          2HG       MET  31  -1.495  -0.639   1.940
  250   2HG   MET  31          1HG       MET  31  -0.926   0.728   2.808
  251   1HE   MET  31          1HE       MET  31  -2.187   0.086   6.178
  252   2HE   MET  31          2HE       MET  31  -2.272  -1.401   5.667
  253   3HE   MET  31          3HE       MET  31  -0.983  -0.338   4.888
  254    H    LYS  32           H        LYS  32  -5.751   0.852   0.513
  255    HA   LYS  32           HA       LYS  32  -6.583  -0.753   2.842
  256   1HB   LYS  32          1HB       LYS  32  -8.863  -0.113   2.695
  257   2HB   LYS  32          2HB       LYS  32  -7.756   1.176   2.790
  258   1HG   LYS  32          1HG       LYS  32  -7.865   1.098   0.006
  259   2HG   LYS  32          2HG       LYS  32  -9.356   0.231   0.284
  260   1HD   LYS  32          2HD       LYS  32  -9.576   2.579   1.856
  261   2HD   LYS  32          1HD       LYS  32  -8.430   3.169   0.625
  262   1HE   LYS  32          1HE       LYS  32 -10.101   2.689  -1.311
  263   2HE   LYS  32          2HE       LYS  32 -11.112   2.044  -0.212
  264   1HZ   LYS  32          1HZ       LYS  32 -10.846   4.568  -1.044
  265   2HZ   LYS  32          2HZ       LYS  32 -11.730   4.193   0.374
  266   3HZ   LYS  32          3HZ       LYS  32 -10.158   4.578   0.559
  267    H    ALA  33           H        ALA  33  -6.640  -1.189  -0.610
  268    HA   ALA  33           HA       ALA  33  -8.648  -3.232  -1.091
  269   1HB   ALA  33          1HB       ALA  33  -7.836  -1.898  -2.808
  270   2HB   ALA  33          2HB       ALA  33  -6.136  -2.384  -2.949
  271   3HB   ALA  33          3HB       ALA  33  -7.487  -3.624  -3.239
  272    H    THR  34           H        THR  34  -5.050  -3.229  -0.644
  273    HA   THR  34           HA       THR  34  -4.367  -6.155  -0.606
  274    HB   THR  34           HB       THR  34  -3.210  -4.018   1.253
  275    HG1  THR  34           HG1      THR  34  -1.616  -3.495  -0.715
  276   1HG2  THR  34          1HG2      THR  34  -1.416  -6.279  -0.002
  277   2HG2  THR  34          2HG2      THR  34  -0.903  -5.027   1.068
  278   3HG2  THR  34          3HG2      THR  34  -2.025  -6.193   1.450
  279    H    LEU  35           H        LEU  35  -6.125  -4.152   1.852
  280    HA   LEU  35           HA       LEU  35  -5.931  -6.411   3.840
  281   1HB   LEU  35          2HB       LEU  35  -6.833  -3.494   4.205
  282   2HB   LEU  35          1HB       LEU  35  -7.497  -4.634   5.199
  283    HG   LEU  35           HG       LEU  35  -4.704  -5.232   4.775
  284   1HD1  LEU  35          1HD1      LEU  35  -4.475  -2.529   5.823
  285   2HD1  LEU  35          2HD1      LEU  35  -4.530  -2.651   4.104
  286   3HD1  LEU  35          3HD1      LEU  35  -3.107  -3.751   4.853
  287   1HD2  LEU  35          1HD2      LEU  35  -5.545  -5.560   7.079
  288   2HD2  LEU  35          2HD2      LEU  35  -4.078  -4.532   7.198
  289   3HD2  LEU  35          3HD2      LEU  35  -5.582  -3.759   7.304
  290    H    GLN  36           H        GLN  36  -8.087  -5.223   1.321
  291    HA   GLN  36           HA       GLN  36 -10.388  -7.135   1.717
  292   1HB   GLN  36          1HB       GLN  36  -9.278  -6.440  -0.988
  293   2HB   GLN  36          2HB       GLN  36 -10.639  -7.325  -0.561
  294   1HG   GLN  36          1HG       GLN  36 -11.674  -5.420   0.459
  295   2HG   GLN  36          2HG       GLN  36 -10.282  -4.529   0.510
  296   1HE2  GLN  36          2HE2      GLN  36 -13.021  -5.893  -1.280
  297   2HE2  GLN  36          1HE2      GLN  36 -13.372  -4.272  -1.989
  298    HA   PRO  37           HA       PRO  37  -7.740 -10.952   0.962
  299   1HB   PRO  37          1HB       PRO  37  -4.845 -10.164   0.570
  300   2HB   PRO  37          2HB       PRO  37  -5.621 -11.475  -0.259
  301   1HG   PRO  37          1HG       PRO  37  -5.194  -9.237  -1.682
  302   2HG   PRO  37          2HG       PRO  37  -6.768 -10.080  -1.878
  303   1HD   PRO  37          1HD       PRO  37  -6.578  -7.451  -0.463
  304   2HD   PRO  37          2HD       PRO  37  -7.898  -7.999  -1.335
  305    H    GLU  38           H        GLU  38  -5.620  -8.534   2.436
  306    HA   GLU  38           HA       GLU  38  -4.684 -10.487   4.474
  307   1HB   GLU  38          1HB       GLU  38  -3.141  -8.384   3.794
  308   2HB   GLU  38          2HB       GLU  38  -4.318  -7.459   4.630
  309   1HG   GLU  38          1HG       GLU  38  -3.912  -8.828   6.848
  310   2HG   GLU  38          2HG       GLU  38  -2.901  -9.744   6.149
  Start of MODEL    4
    1   1H    TRP   1          1H        TRP   1  -3.326  -2.353 -12.670
    2   2H    TRP   1          2H        TRP   1  -2.334  -3.635 -11.794
    3   3H    TRP   1          3H        TRP   1  -3.915  -3.371 -11.798
    4    HA   TRP   1           HA       TRP   1  -2.020  -2.005 -10.199
    5   1HB   TRP   1          1HB       TRP   1  -3.870  -0.760  -9.281
    6   2HB   TRP   1          2HB       TRP   1  -3.943  -0.406 -11.015
    7    HD1  TRP   1           HD1      TRP   1  -6.345  -2.077 -12.192
    8    HE1  TRP   1           HE1      TRP   1  -8.610  -2.365 -10.843
    9    HE3  TRP   1           HE3      TRP   1  -4.618  -1.633  -6.971
   10    HZ2  TRP   1           HZ2      TRP   1  -9.545  -2.575  -8.210
   11    HZ3  TRP   1           HZ3      TRP   1  -6.576  -1.876  -5.274
   12    HH2  TRP   1           HH2      TRP   1  -8.752  -2.358  -5.820
   13    H    LEU   2           H        LEU   2  -3.594  -4.780 -10.855
   14    HA   LEU   2           HA       LEU   2  -4.151  -5.574  -7.915
   15   1HB   LEU   2          1HB       LEU   2  -4.113  -7.197 -10.687
   16   2HB   LEU   2          2HB       LEU   2  -4.067  -7.981  -9.307
   17    HG   LEU   2           HG       LEU   2  -6.377  -7.855  -8.478
   18   1HD1  LEU   2          1HD1      LEU   2  -6.659  -5.324 -10.289
   19   2HD1  LEU   2          2HD1      LEU   2  -7.941  -5.908  -9.122
   20   3HD1  LEU   2          3HD1      LEU   2  -8.042  -6.539 -10.623
   21   1HD2  LEU   2          1HD2      LEU   2  -6.894  -8.328 -11.492
   22   2HD2  LEU   2          2HD2      LEU   2  -6.829  -9.354  -9.985
   23   3HD2  LEU   2          3HD2      LEU   2  -5.300  -9.032 -10.732
   24    H    ILE   3           H        ILE   3  -1.711  -5.726 -10.161
   25    HA   ILE   3           HA       ILE   3   0.257  -7.164  -8.296
   26    HB   ILE   3           HB       ILE   3   0.405  -7.074 -10.773
   27   1HG1  ILE   3          1HG1      ILE   3   2.952  -6.539 -11.223
   28   2HG1  ILE   3          2HG1      ILE   3   3.002  -6.205  -9.349
   29   1HG2  ILE   3          1HG2      ILE   3  -0.128  -4.460 -11.241
   30   2HG2  ILE   3          2HG2      ILE   3   1.178  -4.059 -10.409
   31   3HG2  ILE   3          3HG2      ILE   3   1.347  -4.850 -12.010
   32   1HD1  ILE   3          1HD1      ILE   3   2.086  -8.659  -9.188
   33   2HD1  ILE   3          2HD1      ILE   3   2.068  -8.928 -10.945
   34   3HD1  ILE   3          3HD1      ILE   3   3.637  -8.559 -10.002
   35    H    CYS   4           H        CYS   4  -0.921  -4.137  -8.632
   36    HA   CYS   4           HA       CYS   4   1.146  -2.881  -6.847
   37   1HB   CYS   4          2HB       CYS   4  -0.637  -1.428  -8.577
   38   2HB   CYS   4          1HB       CYS   4  -1.616  -1.283  -6.898
   39    HG   CYS   4           HG       CYS   4   1.289  -0.930  -5.822
   40    H    GLU   5           H        GLU   5  -2.209  -2.998  -6.197
   41    HA   GLU   5           HA       GLU   5  -1.873  -3.095  -3.519
   42   1HB   GLU   5          2HB       GLU   5  -4.230  -3.750  -3.041
   43   2HB   GLU   5          1HB       GLU   5  -4.057  -2.750  -4.219
   44   1HG   GLU   5          1HG       GLU   5  -4.411  -4.384  -6.218
   45   2HG   GLU   5          2HG       GLU   5  -3.677  -5.631  -5.239
   46    H    GLU   6           H        GLU   6  -1.635  -6.376  -4.853
   47    HA   GLU   6           HA       GLU   6  -1.232  -7.377  -2.128
   48   1HB   GLU   6          1HB       GLU   6  -2.657  -8.387  -3.609
   49   2HB   GLU   6          2HB       GLU   6  -1.242  -8.757  -4.664
   50   1HG   GLU   6          2HG       GLU   6  -2.029 -10.761  -3.570
   51   2HG   GLU   6          1HG       GLU   6  -0.506 -10.457  -3.117
   52    HA   PRO   7           HA       PRO   7   3.374  -8.071  -2.988
   53   1HB   PRO   7          1HB       PRO   7   4.588  -6.935  -5.358
   54   2HB   PRO   7          2HB       PRO   7   4.411  -8.631  -4.927
   55   1HG   PRO   7          1HG       PRO   7   2.711  -7.081  -6.810
   56   2HG   PRO   7          2HG       PRO   7   2.864  -9.002  -6.558
   57   1HD   PRO   7          1HD       PRO   7   0.498  -7.594  -5.760
   58   2HD   PRO   7          2HD       PRO   7   1.338  -9.155  -5.070
   59    H    THR   8           H        THR   8   2.818  -5.127  -4.830
   60    HA   THR   8           HA       THR   8   4.978  -3.600  -3.561
   61    HB   THR   8           HB       THR   8   3.303  -2.592  -5.923
   62    HG1  THR   8           HG1      THR   8   4.857  -4.559  -5.634
   63   1HG2  THR   8          1HG2      THR   8   4.593  -0.458  -5.588
   64   2HG2  THR   8          2HG2      THR   8   4.980  -0.905  -4.018
   65   3HG2  THR   8          3HG2      THR   8   6.065  -1.570  -5.282
   66    H    CYS   9           H        CYS   9   1.824  -3.329  -3.282
   67    HA   CYS   9           HA       CYS   9   1.972  -0.930  -1.645
   68   1HB   CYS   9          1HB       CYS   9   0.001  -2.422  -3.198
   69   2HB   CYS   9          2HB       CYS   9  -0.685  -2.320  -1.773
   70    HG   CYS   9           HG       CYS   9  -0.851  -0.123  -1.521
   71    H    ARG  10           H        ARG  10   1.465  -4.422  -1.166
   72    HA   ARG  10           HA       ARG  10   1.408  -4.456   1.693
   73   1HB   ARG  10          1HB       ARG  10   1.209  -6.505   0.180
   74   2HB   ARG  10          2HB       ARG  10   2.935  -6.454   0.088
   75   1HG   ARG  10          2HG       ARG  10   2.612  -6.949   2.722
   76   2HG   ARG  10          1HG       ARG  10   0.931  -7.186   2.455
   77   1HD   ARG  10          1HD       ARG  10   1.975  -9.054   0.483
   78   2HD   ARG  10          2HD       ARG  10   3.505  -8.399   1.126
   79    HE   ARG  10           HE       ARG  10   1.444 -10.016   2.553
   80   1HH1  ARG  10          1HH2      ARG  10   4.659  -9.314   2.087
   81   2HH1  ARG  10          2HH2      ARG  10   5.338  -9.952   3.638
   82   1HH2  ARG  10          2HH1      ARG  10   1.990 -11.011   4.475
   83   2HH2  ARG  10          1HH1      ARG  10   3.625 -10.879   4.960
   84    H    ASN  11           H        ASN  11   4.535  -4.591  -0.347
   85    HA   ASN  11           HA       ASN  11   6.035  -3.800   1.740
   86   1HB   ASN  11          1HB       ASN  11   6.346  -3.259  -1.304
   87   2HB   ASN  11          2HB       ASN  11   7.454  -2.659  -0.121
   88   1HD2  ASN  11          2HD2      ASN  11   6.083  -5.553  -1.598
   89   2HD2  ASN  11          1HD2      ASN  11   7.123  -6.769  -0.669
   90    H    ARG  12           H        ARG  12   3.703  -1.602   0.346
   91    HA   ARG  12           HA       ARG  12   5.199   0.940   1.477
   92   1HB   ARG  12          2HB       ARG  12   3.999   2.271   0.678
   93   2HB   ARG  12          1HB       ARG  12   3.723   1.204  -0.664
   94   1HG   ARG  12          1HG       ARG  12   1.483   0.439   0.429
   95   2HG   ARG  12          2HG       ARG  12   1.653   1.696   1.531
   96   1HD   ARG  12          1HD       ARG  12   0.251   2.951  -0.021
   97   2HD   ARG  12          2HD       ARG  12   2.070   3.508  -0.058
   98    HE   ARG  12           HE       ARG  12   0.813   1.897  -2.430
   99   1HH1  ARG  12          1HH1      ARG  12   3.334   4.074  -1.362
  100   2HH1  ARG  12          2HH1      ARG  12   3.831   4.162  -3.045
  101   1HH2  ARG  12          1HH2      ARG  12   1.444   2.140  -4.209
  102   2HH2  ARG  12          2HH2      ARG  12   2.757   3.159  -4.868
  103    H    THR  13           H        THR  13   3.222  -1.693   2.347
  104    HA   THR  13           HA       THR  13   2.590  -0.509   4.994
  105    HB   THR  13           HB       THR  13   2.265  -3.471   4.485
  106    HG1  THR  13           HG1      THR  13   0.124  -1.786   4.836
  107   1HG2  THR  13          1HG2      THR  13   0.794  -2.261   6.735
  108   2HG2  THR  13          2HG2      THR  13   1.062  -3.971   6.410
  109   3HG2  THR  13          3HG2      THR  13   2.439  -2.933   6.892
  110    H    ARG  14           H        ARG  14   5.216  -1.672   3.738
  111    HA   ARG  14           HA       ARG  14   6.836  -2.182   6.258
  112   1HB   ARG  14          1HB       ARG  14   7.810  -2.471   3.377
  113   2HB   ARG  14          2HB       ARG  14   9.006  -2.324   4.596
  114   1HG   ARG  14          2HG       ARG  14   8.679  -4.426   3.947
  115   2HG   ARG  14          1HG       ARG  14   8.215  -4.233   5.857
  116   1HD   ARG  14          1HD       ARG  14   5.753  -4.385   4.108
  117   2HD   ARG  14          2HD       ARG  14   6.915  -5.398   3.161
  118    HE   ARG  14           HE       ARG  14   7.415  -6.637   5.407
  119   1HH1  ARG  14          1HH1      ARG  14   4.202  -5.388   4.426
  120   2HH1  ARG  14          2HH1      ARG  14   3.491  -6.887   5.147
  121   1HH2  ARG  14          1HH2      ARG  14   6.555  -8.283   6.123
  122   2HH2  ARG  14          2HH2      ARG  14   4.719  -8.492   6.045
  123    H    HIS  15           H        HIS  15   5.566   0.264   4.440
  124    HA   HIS  15           HA       HIS  15   7.797   2.337   4.866
  125   1HB   HIS  15          2HB       HIS  15   4.965   3.095   3.599
  126   2HB   HIS  15          1HB       HIS  15   6.212   4.160   4.174
  127    HD1  HIS  15           HD1      HIS  15   4.959   3.584   1.595
  128    HD2  HIS  15           HD2      HIS  15   8.351   1.478   1.993
  129    HE1  HIS  15           HE1      HIS  15   6.310   3.811  -0.685
  130    HE2  HIS  15           HE2      HIS  15   8.430   2.761  -0.411
  131    H    LEU  16           H        LEU  16   4.824   0.739   6.292
  132    HA   LEU  16           HA       LEU  16   3.818   3.078   7.659
  133   1HB   LEU  16          1HB       LEU  16   2.280   1.453   6.718
  134   2HB   LEU  16          2HB       LEU  16   2.833   0.198   7.829
  135    HG   LEU  16           HG       LEU  16   1.307   2.691   8.833
  136   1HD1  LEU  16          1HD2      LEU  16  -0.002   1.622   6.812
  137   2HD1  LEU  16          2HD2      LEU  16   0.118   0.179   7.571
  138   3HD1  LEU  16          3HD2      LEU  16  -0.815   1.624   8.477
  139   1HD2  LEU  16          1HD1      LEU  16   0.378   1.201  10.577
  140   2HD2  LEU  16          2HD1      LEU  16   1.231  -0.136  10.279
  141   3HD2  LEU  16          3HD1      LEU  16   2.145   1.183  10.767
  142    HA   PRO  17           HA       PRO  17   6.485   1.266  11.447
  143   1HB   PRO  17          1HB       PRO  17   8.523   0.389   9.580
  144   2HB   PRO  17          2HB       PRO  17   8.219  -0.112  11.352
  145   1HG   PRO  17          1HG       PRO  17   7.296  -1.534   9.205
  146   2HG   PRO  17          2HG       PRO  17   6.432  -1.617  10.760
  147   1HD   PRO  17          1HD       PRO  17   5.746  -0.520   8.155
  148   2HD   PRO  17          2HD       PRO  17   4.534  -0.510   9.546
  149    H    LEU  18           H        LEU  18   7.575   2.906   8.257
  150    HA   LEU  18           HA       LEU  18   8.870   5.030  10.025
  151   1HB   LEU  18          2HB       LEU  18   9.755   6.214   8.211
  152   2HB   LEU  18          1HB       LEU  18  10.211   4.518   8.475
  153    HG   LEU  18           HG       LEU  18   8.679   3.704   6.722
  154   1HD1  LEU  18          1HD1      LEU  18   8.683   6.602   5.751
  155   2HD1  LEU  18          2HD1      LEU  18   8.337   5.403   4.674
  156   3HD1  LEU  18          3HD1      LEU  18   7.153   5.661   6.104
  157   1HD2  LEU  18          1HD2      LEU  18  10.849   5.471   5.573
  158   2HD2  LEU  18          2HD2      LEU  18  10.354   3.774   5.170
  159   3HD2  LEU  18          3HD2      LEU  18  11.338   4.285   6.689
  160    H    GLN  19           H        GLN  19   6.315   4.961   7.764
  161    HA   GLN  19           HA       GLN  19   4.370   5.924   7.475
  162   1HB   GLN  19          1HB       GLN  19   4.224   5.065   9.863
  163   2HB   GLN  19          2HB       GLN  19   4.201   6.722  10.598
  164   1HG   GLN  19          2HG       GLN  19   2.370   7.663   9.771
  165   2HG   GLN  19          1HG       GLN  19   2.036   6.424   8.619
  166   1HE2  GLN  19          1HE2      GLN  19   1.941   7.112  12.201
  167   2HE2  GLN  19          2HE2      GLN  19   0.861   5.764  12.497
  168    H    PHE  20           H        PHE  20   6.712   7.790   7.089
  169    HA   PHE  20           HA       PHE  20   5.433  10.374   7.075
  170   1HB   PHE  20          2HB       PHE  20   7.655  11.452   6.653
  171   2HB   PHE  20          1HB       PHE  20   7.456  10.145   7.753
  172    HD1  PHE  20           HD1      PHE  20   9.380   8.709   7.723
  173    HD2  PHE  20           HD2      PHE  20   8.524  10.625   4.069
  174    HE1  PHE  20           HE1      PHE  20  11.416   7.725   6.852
  175    HE2  PHE  20           HE2      PHE  20  10.522   9.492   2.951
  176    HZ   PHE  20           HZ       PHE  20  12.067   8.270   4.405
  177    H    SER  21           H        SER  21   6.090   7.854   4.900
  178    HA   SER  21           HA       SER  21   4.868   9.150   2.420
  179   1HB   SER  21          2HB       SER  21   6.723   7.618   2.029
  180   2HB   SER  21          1HB       SER  21   5.873   6.231   2.630
  181    HG   SER  21           HG       SER  21   4.139   7.778   1.060
  182    H    ARG  22           H        ARG  22   3.113   8.606   4.869
  183    HA   ARG  22           HA       ARG  22   1.269   6.500   4.411
  184   1HB   ARG  22          1HB       ARG  22   0.256   7.151   6.273
  185   2HB   ARG  22          2HB       ARG  22   1.823   7.862   6.492
  186   1HG   ARG  22          1HG       ARG  22  -0.390   9.691   5.731
  187   2HG   ARG  22          2HG       ARG  22   0.360   9.328   7.400
  188   1HD   ARG  22          1HD       ARG  22   2.587  10.304   6.193
  189   2HD   ARG  22          2HD       ARG  22   1.431  10.735   4.907
  190    HE   ARG  22           HE       ARG  22   0.529  12.474   6.187
  191   1HH1  ARG  22          1HH2      ARG  22   2.721  10.537   8.268
  192   2HH1  ARG  22          2HH2      ARG  22   3.026  11.807   9.436
  193   1HH2  ARG  22          1HH1      ARG  22   1.009  14.040   7.687
  194   2HH2  ARG  22          2HH1      ARG  22   2.140  13.843   9.053
  195    H    THR  23           H        THR  23   1.179   9.324   3.134
  196    HA   THR  23           HA       THR  23  -1.528   9.509   1.757
  197    HB   THR  23           HB       THR  23  -0.462  11.791   0.865
  198    HG1  THR  23           HG1      THR  23   1.189  11.488   3.126
  199   1HG2  THR  23          1HG2      THR  23  -0.717  13.173   2.713
  200   2HG2  THR  23          2HG2      THR  23  -2.102  12.129   2.598
  201   3HG2  THR  23          3HG2      THR  23  -1.021  11.703   3.897
  202    H    GLY  24           H        GLY  24   2.138   9.353   1.009
  203   1HA   GLY  24          1HA       GLY  24   3.396   8.480  -0.978
  204   2HA   GLY  24          2HA       GLY  24   2.295   7.048  -0.991
  205    HA   PRO  25           HA       PRO  25   0.423  10.297  -4.251
  206   1HB   PRO  25          1HB       PRO  25   2.691  11.792  -5.384
  207   2HB   PRO  25          2HB       PRO  25   0.981  12.545  -4.943
  208   1HG   PRO  25          1HG       PRO  25   3.609  12.536  -3.522
  209   2HG   PRO  25          2HG       PRO  25   1.849  13.125  -2.891
  210   1HD   PRO  25          1HD       PRO  25   3.649  11.219  -2.052
  211   2HD   PRO  25          2HD       PRO  25   1.872  11.221  -1.517
  212    H    LEU  26           H        LEU  26   0.867   7.952  -4.597
  213    HA   LEU  26           HA       LEU  26   2.036   7.498  -7.378
  214   1HB   LEU  26          2HB       LEU  26   2.037   5.519  -4.965
  215   2HB   LEU  26          1HB       LEU  26   2.497   4.944  -6.718
  216    HG   LEU  26           HG       LEU  26   4.237   6.966  -6.407
  217   1HD1  LEU  26          1HD2      LEU  26   3.447   6.568  -3.687
  218   2HD1  LEU  26          2HD2      LEU  26   4.540   7.684  -4.350
  219   3HD1  LEU  26          3HD2      LEU  26   5.190   6.299  -3.697
  220   1HD2  LEU  26          1HD1      LEU  26   6.058   5.122  -6.264
  221   2HD2  LEU  26          2HD1      LEU  26   4.594   4.474  -7.077
  222   3HD2  LEU  26          3HD1      LEU  26   4.813   3.852  -5.707
  223    H    CYS  27           H        CYS  27  -0.373   5.843  -5.151
  224    HA   CYS  27           HA       CYS  27  -1.903   5.439  -7.784
  225   1HB   CYS  27          1HB       CYS  27  -2.391   3.231  -6.762
  226   2HB   CYS  27          2HB       CYS  27  -0.651   3.304  -7.391
  227    HG   CYS  27           HG       CYS  27  -0.898   4.204  -4.227
  228    HA   PRO  28           HA       PRO  28  -5.142   7.270  -5.536
  229   1HB   PRO  28          1HB       PRO  28  -7.433   5.900  -6.520
  230   2HB   PRO  28          2HB       PRO  28  -6.932   7.435  -7.349
  231   1HG   PRO  28          1HG       PRO  28  -6.750   4.764  -8.480
  232   2HG   PRO  28          2HG       PRO  28  -6.316   6.243  -9.069
  233   1HD   PRO  28          1HD       PRO  28  -4.333   4.291  -8.038
  234   2HD   PRO  28          2HD       PRO  28  -4.189   6.027  -8.839
  235    H    ALA  29           H        ALA  29  -4.785   5.957  -3.445
  236    HA   ALA  29           HA       ALA  29  -5.910   5.112  -1.515
  237   1HB   ALA  29          1HB       ALA  29  -8.540   4.930  -3.500
  238   2HB   ALA  29          2HB       ALA  29  -8.232   4.204  -1.707
  239   3HB   ALA  29          3HB       ALA  29  -7.979   6.003  -2.236
  240    H    CYS  30           H        CYS  30  -3.892   3.086  -3.069
  241    HA   CYS  30           HA       CYS  30  -5.745   0.575  -3.191
  242   1HB   CYS  30          1HB       CYS  30  -4.619   1.432  -5.250
  243   2HB   CYS  30          2HB       CYS  30  -3.314   1.978  -4.514
  244    HG   CYS  30           HG       CYS  30  -1.701   0.131  -5.224
  245    H    MET  31           H        MET  31  -3.828   1.852  -1.016
  246    HA   MET  31           HA       MET  31  -2.531  -0.494  -0.101
  247   1HB   MET  31          2HB       MET  31  -1.346   1.546   0.608
  248   2HB   MET  31          1HB       MET  31  -2.841   2.047   1.436
  249   1HG   MET  31          2HG       MET  31  -1.497  -0.725   2.079
  250   2HG   MET  31          1HG       MET  31  -0.886   0.782   2.719
  251   1HE   MET  31          1HE       MET  31  -1.980   0.645   5.742
  252   2HE   MET  31          2HE       MET  31  -2.548  -1.350   5.658
  253   3HE   MET  31          3HE       MET  31  -1.102  -0.668   4.924
  254    H    LYS  32           H        LYS  32  -6.015   0.981   0.713
  255    HA   LYS  32           HA       LYS  32  -6.454  -0.884   2.905
  256   1HB   LYS  32          1HB       LYS  32  -8.928  -0.227   2.547
  257   2HB   LYS  32          2HB       LYS  32  -7.794   1.262   2.816
  258   1HG   LYS  32          1HG       LYS  32  -7.820   0.996   0.047
  259   2HG   LYS  32          2HG       LYS  32  -9.471   0.391   0.348
  260   1HD   LYS  32          2HD       LYS  32  -9.648   2.678   1.793
  261   2HD   LYS  32          1HD       LYS  32  -8.272   3.171   0.946
  262   1HE   LYS  32          1HE       LYS  32  -9.803   2.522  -1.202
  263   2HE   LYS  32          2HE       LYS  32 -11.147   2.088   0.068
  264   1HZ   LYS  32          1HZ       LYS  32 -10.455   4.775  -0.848
  265   2HZ   LYS  32          2HZ       LYS  32 -11.797   4.278   0.024
  266   3HZ   LYS  32          3HZ       LYS  32 -10.245   4.573   0.612
  267    H    ALA  33           H        ALA  33  -7.017  -1.086  -0.606
  268    HA   ALA  33           HA       ALA  33  -8.644  -3.316  -0.919
  269   1HB   ALA  33          1HB       ALA  33  -7.909  -1.948  -2.994
  270   2HB   ALA  33          2HB       ALA  33  -6.133  -2.557  -2.801
  271   3HB   ALA  33          3HB       ALA  33  -7.608  -3.497  -3.250
  272    H    THR  34           H        THR  34  -5.313  -3.229  -0.575
  273    HA   THR  34           HA       THR  34  -4.269  -5.905  -1.039
  274    HB   THR  34           HB       THR  34  -3.262  -3.859   1.140
  275    HG1  THR  34           HG1      THR  34  -1.827  -3.176  -0.389
  276   1HG2  THR  34          1HG2      THR  34  -1.651  -6.034  -0.424
  277   2HG2  THR  34          2HG2      THR  34  -1.041  -4.807   0.948
  278   3HG2  THR  34          3HG2      THR  34  -2.448  -6.013   1.413
  279    H    LEU  35           H        LEU  35  -5.872  -4.066   1.903
  280    HA   LEU  35           HA       LEU  35  -6.133  -6.560   3.768
  281   1HB   LEU  35          2HB       LEU  35  -6.899  -3.507   4.134
  282   2HB   LEU  35          1HB       LEU  35  -7.500  -4.691   5.328
  283    HG   LEU  35           HG       LEU  35  -4.623  -5.224   4.967
  284   1HD1  LEU  35          1HD1      LEU  35  -3.902  -2.528   5.662
  285   2HD1  LEU  35          2HD1      LEU  35  -4.589  -2.712   4.080
  286   3HD1  LEU  35          3HD1      LEU  35  -3.135  -3.548   4.603
  287   1HD2  LEU  35          1HD2      LEU  35  -5.553  -5.468   7.144
  288   2HD2  LEU  35          2HD2      LEU  35  -3.943  -4.716   7.036
  289   3HD2  LEU  35          3HD2      LEU  35  -5.653  -3.775   7.291
  290    H    GLN  36           H        GLN  36  -7.946  -5.561   1.105
  291    HA   GLN  36           HA       GLN  36 -10.249  -7.096   1.822
  292   1HB   GLN  36          1HB       GLN  36  -9.255  -6.542  -1.048
  293   2HB   GLN  36          2HB       GLN  36 -10.592  -7.470  -0.638
  294   1HG   GLN  36          1HG       GLN  36 -11.506  -5.296   0.794
  295   2HG   GLN  36          2HG       GLN  36 -10.089  -4.422   0.003
  296   1HE2  GLN  36          2HE2      GLN  36 -13.010  -5.805  -1.157
  297   2HE2  GLN  36          1HE2      GLN  36 -13.399  -4.202  -1.770
  298    HA   PRO  37           HA       PRO  37  -7.696 -11.135   0.725
  299   1HB   PRO  37          1HB       PRO  37  -4.887 -10.069   0.389
  300   2HB   PRO  37          2HB       PRO  37  -5.623 -11.619  -0.290
  301   1HG   PRO  37          1HG       PRO  37  -5.071  -9.004  -1.632
  302   2HG   PRO  37          2HG       PRO  37  -6.488  -9.971  -2.133
  303   1HD   PRO  37          1HD       PRO  37  -6.583  -7.518  -0.294
  304   2HD   PRO  37          2HD       PRO  37  -7.806  -8.179  -1.476
  305    H    GLU  38           H        GLU  38  -5.455  -8.612   2.344
  306    HA   GLU  38           HA       GLU  38  -4.690 -10.396   4.479
  307   1HB   GLU  38          1HB       GLU  38  -2.994  -8.570   3.868
  308   2HB   GLU  38          2HB       GLU  38  -4.206  -7.473   4.677
  309   1HG   GLU  38          1HG       GLU  38  -3.797  -8.319   7.016
  310   2HG   GLU  38          2HG       GLU  38  -2.559  -9.597   6.097
  Start of MODEL    5
    1   1H    TRP   1          1H        TRP   1  -2.952  -2.232 -12.624
    2   2H    TRP   1          2H        TRP   1  -2.360  -3.535 -12.261
    3   3H    TRP   1          3H        TRP   1  -3.859  -3.519 -11.960
    4    HA   TRP   1           HA       TRP   1  -1.971  -2.062 -10.421
    5   1HB   TRP   1          1HB       TRP   1  -3.622  -0.766  -9.336
    6   2HB   TRP   1          2HB       TRP   1  -3.750  -0.462 -11.064
    7    HD1  TRP   1           HD1      TRP   1  -6.176  -2.072 -12.127
    8    HE1  TRP   1           HE1      TRP   1  -8.320  -2.445 -11.063
    9    HE3  TRP   1           HE3      TRP   1  -4.840  -1.301  -7.078
   10    HZ2  TRP   1           HZ2      TRP   1  -9.630  -2.276  -8.133
   11    HZ3  TRP   1           HZ3      TRP   1  -6.531  -1.720  -5.407
   12    HH2  TRP   1           HH2      TRP   1  -8.765  -2.106  -5.964
   13    H    LEU   2           H        LEU   2  -3.787  -4.676 -10.861
   14    HA   LEU   2           HA       LEU   2  -4.524  -5.640  -7.994
   15   1HB   LEU   2          1HB       LEU   2  -4.371  -6.870 -10.703
   16   2HB   LEU   2          2HB       LEU   2  -4.240  -8.082  -9.175
   17    HG   LEU   2           HG       LEU   2  -6.315  -7.585  -8.570
   18   1HD1  LEU   2          1HD1      LEU   2  -6.724  -5.405  -9.921
   19   2HD1  LEU   2          2HD1      LEU   2  -7.817  -6.272  -8.957
   20   3HD1  LEU   2          3HD1      LEU   2  -7.745  -6.427 -10.914
   21   1HD2  LEU   2          1HD2      LEU   2  -6.815  -8.268 -11.571
   22   2HD2  LEU   2          2HD2      LEU   2  -6.757  -9.578 -10.361
   23   3HD2  LEU   2          3HD2      LEU   2  -5.353  -8.882 -11.183
   24    H    ILE   3           H        ILE   3  -1.773  -5.860 -10.147
   25    HA   ILE   3           HA       ILE   3   0.293  -7.213  -8.503
   26    HB   ILE   3           HB       ILE   3   0.497  -6.909 -11.041
   27   1HG1  ILE   3          1HG1      ILE   3   2.851  -6.354 -11.185
   28   2HG1  ILE   3          2HG1      ILE   3   3.039  -6.205  -9.307
   29   1HG2  ILE   3          1HG2      ILE   3  -0.191  -4.827 -11.190
   30   2HG2  ILE   3          2HG2      ILE   3   1.413  -3.876 -10.521
   31   3HG2  ILE   3          3HG2      ILE   3   1.430  -5.104 -12.017
   32   1HD1  ILE   3          1HD1      ILE   3   2.152  -8.516  -9.181
   33   2HD1  ILE   3          2HD1      ILE   3   2.015  -8.638 -10.999
   34   3HD1  ILE   3          3HD1      ILE   3   3.609  -8.469 -10.107
   35    H    CYS   4           H        CYS   4  -1.105  -4.163  -8.609
   36    HA   CYS   4           HA       CYS   4   1.212  -2.501  -7.294
   37   1HB   CYS   4          2HB       CYS   4  -0.592  -1.307  -8.499
   38   2HB   CYS   4          1HB       CYS   4  -1.632  -1.391  -7.165
   39    HG   CYS   4           HG       CYS   4   1.251  -1.206  -5.879
   40    H    GLU   5           H        GLU   5  -2.240  -3.243  -6.344
   41    HA   GLU   5           HA       GLU   5  -2.118  -2.928  -3.491
   42   1HB   GLU   5          2HB       GLU   5  -4.005  -4.142  -2.967
   43   2HB   GLU   5          1HB       GLU   5  -4.141  -2.745  -4.418
   44   1HG   GLU   5          1HG       GLU   5  -4.462  -4.082  -5.858
   45   2HG   GLU   5          2HG       GLU   5  -3.615  -5.587  -5.138
   46    H    GLU   6           H        GLU   6  -1.877  -6.281  -4.762
   47    HA   GLU   6           HA       GLU   6  -1.222  -7.198  -2.115
   48   1HB   GLU   6          1HB       GLU   6  -2.652  -8.363  -3.768
   49   2HB   GLU   6          2HB       GLU   6  -1.375  -8.914  -4.697
   50   1HG   GLU   6          2HG       GLU   6  -2.363 -10.738  -3.333
   51   2HG   GLU   6          1HG       GLU   6  -0.523 -10.486  -3.137
   52    HA   PRO   7           HA       PRO   7   3.474  -8.192  -3.138
   53   1HB   PRO   7          1HB       PRO   7   4.610  -6.919  -5.528
   54   2HB   PRO   7          2HB       PRO   7   4.453  -8.553  -4.996
   55   1HG   PRO   7          1HG       PRO   7   2.743  -7.231  -6.924
   56   2HG   PRO   7          2HG       PRO   7   3.102  -8.802  -6.760
   57   1HD   PRO   7          1HD       PRO   7   0.668  -7.685  -5.907
   58   2HD   PRO   7          2HD       PRO   7   1.229  -9.175  -5.302
   59    H    THR   8           H        THR   8   2.989  -5.063  -4.783
   60    HA   THR   8           HA       THR   8   5.057  -3.704  -3.486
   61    HB   THR   8           HB       THR   8   3.268  -2.618  -5.434
   62    HG1  THR   8           HG1      THR   8   4.605  -4.494  -6.004
   63   1HG2  THR   8          1HG2      THR   8   4.761  -0.720  -5.990
   64   2HG2  THR   8          2HG2      THR   8   4.445  -0.744  -4.103
   65   3HG2  THR   8          3HG2      THR   8   6.086  -1.298  -4.700
   66    H    CYS   9           H        CYS   9   1.937  -3.197  -3.400
   67    HA   CYS   9           HA       CYS   9   1.521  -0.882  -1.307
   68   1HB   CYS   9          1HB       CYS   9  -0.198  -2.320  -3.178
   69   2HB   CYS   9          2HB       CYS   9  -0.793  -2.200  -1.552
   70    HG   CYS   9           HG       CYS   9  -0.845   0.187  -1.537
   71    H    ARG  10           H        ARG  10   1.360  -4.546  -1.029
   72    HA   ARG  10           HA       ARG  10   1.352  -4.513   1.721
   73   1HB   ARG  10          1HB       ARG  10   0.999  -6.483   0.279
   74   2HB   ARG  10          2HB       ARG  10   2.785  -6.606   0.140
   75   1HG   ARG  10          2HG       ARG  10   2.509  -6.990   2.764
   76   2HG   ARG  10          1HG       ARG  10   0.832  -7.412   2.167
   77   1HD   ARG  10          1HD       ARG  10   1.910  -8.893   0.403
   78   2HD   ARG  10          2HD       ARG  10   3.532  -8.472   1.001
   79    HE   ARG  10           HE       ARG  10   1.611 -10.137   2.527
   80   1HH1  ARG  10          1HH2      ARG  10   4.821  -9.363   2.076
   81   2HH1  ARG  10          2HH2      ARG  10   5.119  -9.794   3.834
   82   1HH2  ARG  10          2HH1      ARG  10   1.996 -10.658   4.184
   83   2HH2  ARG  10          1HH1      ARG  10   3.576 -10.718   5.138
   84    H    ASN  11           H        ASN  11   4.385  -4.537  -0.311
   85    HA   ASN  11           HA       ASN  11   6.209  -3.621   1.788
   86   1HB   ASN  11          1HB       ASN  11   6.360  -3.247  -1.309
   87   2HB   ASN  11          2HB       ASN  11   7.702  -2.726  -0.055
   88   1HD2  ASN  11          2HD2      ASN  11   5.975  -5.727  -1.417
   89   2HD2  ASN  11          1HD2      ASN  11   7.128  -6.758  -0.544
   90    H    ARG  12           H        ARG  12   3.813  -1.615   0.501
   91    HA   ARG  12           HA       ARG  12   5.237   0.761   1.300
   92   1HB   ARG  12          2HB       ARG  12   3.736   2.531   0.576
   93   2HB   ARG  12          1HB       ARG  12   3.885   1.322  -0.682
   94   1HG   ARG  12          1HG       ARG  12   1.501   0.552   0.117
   95   2HG   ARG  12          2HG       ARG  12   1.654   1.752   1.583
   96   1HD   ARG  12          1HD       ARG  12   0.315   2.781  -0.192
   97   2HD   ARG  12          2HD       ARG  12   1.741   3.663  -0.095
   98    HE   ARG  12           HE       ARG  12   1.013   1.771  -2.291
   99   1HH1  ARG  12          1HH1      ARG  12   3.101   3.723  -1.450
  100   2HH1  ARG  12          2HH1      ARG  12   4.009   4.086  -3.089
  101   1HH2  ARG  12          1HH2      ARG  12   1.497   2.048  -4.252
  102   2HH2  ARG  12          2HH2      ARG  12   2.739   3.363  -4.621
  103    H    THR  13           H        THR  13   2.613  -1.342   2.216
  104    HA   THR  13           HA       THR  13   2.714  -0.530   5.096
  105    HB   THR  13           HB       THR  13   2.237  -3.223   4.065
  106    HG1  THR  13           HG1      THR  13  -0.004  -2.495   4.818
  107   1HG2  THR  13          1HG2      THR  13   0.959  -2.228   6.657
  108   2HG2  THR  13          2HG2      THR  13   1.192  -4.031   6.017
  109   3HG2  THR  13          3HG2      THR  13   2.384  -3.157   6.836
  110    H    ARG  14           H        ARG  14   5.182  -1.736   3.823
  111    HA   ARG  14           HA       ARG  14   6.569  -2.049   6.323
  112   1HB   ARG  14          1HB       ARG  14   7.761  -2.331   3.443
  113   2HB   ARG  14          2HB       ARG  14   8.864  -2.065   4.863
  114   1HG   ARG  14          2HG       ARG  14   9.005  -4.346   4.183
  115   2HG   ARG  14          1HG       ARG  14   8.372  -4.476   5.676
  116   1HD   ARG  14          1HD       ARG  14   5.854  -4.285   3.941
  117   2HD   ARG  14          2HD       ARG  14   7.117  -5.277   3.172
  118    HE   ARG  14           HE       ARG  14   7.451  -6.538   5.427
  119   1HH1  ARG  14          1HH1      ARG  14   4.430  -5.505   4.625
  120   2HH1  ARG  14          2HH1      ARG  14   3.490  -6.994   5.106
  121   1HH2  ARG  14          1HH2      ARG  14   6.509  -8.310   5.883
  122   2HH2  ARG  14          2HH2      ARG  14   4.762  -8.501   6.349
  123    H    HIS  15           H        HIS  15   5.754   0.071   4.272
  124    HA   HIS  15           HA       HIS  15   7.811   2.334   4.882
  125   1HB   HIS  15          2HB       HIS  15   5.028   3.015   3.773
  126   2HB   HIS  15          1HB       HIS  15   6.491   4.053   4.005
  127    HD1  HIS  15           HD1      HIS  15   4.971   3.840   1.117
  128    HD2  HIS  15           HD2      HIS  15   8.246   1.505   1.967
  129    HE1  HIS  15           HE1      HIS  15   6.348   3.829  -0.650
  130    HE2  HIS  15           HE2      HIS  15   8.632   2.628  -0.218
  131    H    LEU  16           H        LEU  16   5.203   0.810   6.334
  132    HA   LEU  16           HA       LEU  16   3.528   3.047   7.679
  133   1HB   LEU  16          1HB       LEU  16   2.367   1.147   6.693
  134   2HB   LEU  16          2HB       LEU  16   2.909   0.181   8.056
  135    HG   LEU  16           HG       LEU  16   1.073   2.641   8.751
  136   1HD1  LEU  16          1HD2      LEU  16   0.137   1.808   6.877
  137   2HD1  LEU  16          2HD2      LEU  16  -0.076   0.043   7.600
  138   3HD1  LEU  16          3HD2      LEU  16  -0.927   1.349   8.242
  139   1HD2  LEU  16          1HD1      LEU  16   0.231   1.144  10.451
  140   2HD2  LEU  16          2HD1      LEU  16   1.152  -0.318   9.713
  141   3HD2  LEU  16          3HD1      LEU  16   2.066   1.120  10.785
  142    HA   PRO  17           HA       PRO  17   6.290   1.650  11.334
  143   1HB   PRO  17          1HB       PRO  17   8.424   0.203   9.434
  144   2HB   PRO  17          2HB       PRO  17   8.391   0.130  11.328
  145   1HG   PRO  17          1HG       PRO  17   7.219  -1.729   9.353
  146   2HG   PRO  17          2HG       PRO  17   6.312  -1.543  10.890
  147   1HD   PRO  17          1HD       PRO  17   5.567  -0.359   8.309
  148   2HD   PRO  17          2HD       PRO  17   4.625  -0.765   9.709
  149    H    LEU  18           H        LEU  18   7.621   2.878   8.312
  150    HA   LEU  18           HA       LEU  18   8.909   5.078  10.036
  151   1HB   LEU  18          2HB       LEU  18   9.823   6.235   7.932
  152   2HB   LEU  18          1HB       LEU  18  10.235   4.604   8.459
  153    HG   LEU  18           HG       LEU  18   8.714   3.661   6.572
  154   1HD1  LEU  18          1HD1      LEU  18   8.531   6.733   5.690
  155   2HD1  LEU  18          2HD1      LEU  18   8.103   5.159   4.776
  156   3HD1  LEU  18          3HD1      LEU  18   7.160   5.785   5.945
  157   1HD2  LEU  18          1HD2      LEU  18  10.758   5.560   5.475
  158   2HD2  LEU  18          2HD2      LEU  18  10.585   3.808   5.131
  159   3HD2  LEU  18          3HD2      LEU  18  11.162   4.210   6.562
  160    H    GLN  19           H        GLN  19   6.231   4.982   7.789
  161    HA   GLN  19           HA       GLN  19   4.133   5.988   7.485
  162   1HB   GLN  19          1HB       GLN  19   3.998   5.185   9.983
  163   2HB   GLN  19          2HB       GLN  19   4.677   6.769  10.394
  164   1HG   GLN  19          2HG       GLN  19   2.452   7.610   9.953
  165   2HG   GLN  19          1HG       GLN  19   1.885   6.488   8.639
  166   1HE2  GLN  19          1HE2      GLN  19   1.949   7.076  11.919
  167   2HE2  GLN  19          2HE2      GLN  19   0.770   5.788  12.537
  168    H    PHE  20           H        PHE  20   6.705   7.830   7.107
  169    HA   PHE  20           HA       PHE  20   5.566  10.412   6.968
  170   1HB   PHE  20          2HB       PHE  20   7.431  11.361   6.225
  171   2HB   PHE  20          1HB       PHE  20   7.519  10.347   7.719
  172    HD1  PHE  20           HD1      PHE  20   9.498   8.574   7.630
  173    HD2  PHE  20           HD2      PHE  20   8.462  10.650   4.037
  174    HE1  PHE  20           HE1      PHE  20  11.566   7.740   6.578
  175    HE2  PHE  20           HE2      PHE  20  10.637   9.928   2.980
  176    HZ   PHE  20           HZ       PHE  20  12.102   8.243   4.470
  177    H    SER  21           H        SER  21   5.943   7.720   4.844
  178    HA   SER  21           HA       SER  21   4.855   9.089   2.361
  179   1HB   SER  21          2HB       SER  21   6.675   7.676   1.892
  180   2HB   SER  21          1HB       SER  21   5.818   6.156   2.619
  181    HG   SER  21           HG       SER  21   4.514   7.988   0.821
  182    H    ARG  22           H        ARG  22   3.126   8.648   4.758
  183    HA   ARG  22           HA       ARG  22   1.406   6.461   4.406
  184   1HB   ARG  22          1HB       ARG  22   0.153   7.202   6.159
  185   2HB   ARG  22          2HB       ARG  22   1.840   7.497   6.413
  186   1HG   ARG  22          1HG       ARG  22  -0.498   9.706   5.688
  187   2HG   ARG  22          2HG       ARG  22   0.083   9.316   7.357
  188   1HD   ARG  22          1HD       ARG  22   2.571  10.240   6.309
  189   2HD   ARG  22          2HD       ARG  22   1.661  10.837   4.982
  190    HE   ARG  22           HE       ARG  22   0.930  12.655   6.453
  191   1HH1  ARG  22          1HH2      ARG  22   2.516  10.426   8.077
  192   2HH1  ARG  22          2HH2      ARG  22   3.036  11.759   9.283
  193   1HH2  ARG  22          1HH1      ARG  22   1.070  13.970   7.641
  194   2HH2  ARG  22          2HH1      ARG  22   1.933  13.648   9.228
  195    H    THR  23           H        THR  23   1.146   9.237   2.937
  196    HA   THR  23           HA       THR  23  -1.586   9.470   1.628
  197    HB   THR  23           HB       THR  23  -0.541  11.674   0.726
  198    HG1  THR  23           HG1      THR  23   1.381  11.275   3.012
  199   1HG2  THR  23          1HG2      THR  23  -0.740  13.071   2.779
  200   2HG2  THR  23          2HG2      THR  23  -2.173  12.063   2.402
  201   3HG2  THR  23          3HG2      THR  23  -1.007  11.777   3.821
  202    H    GLY  24           H        GLY  24   2.205   8.726   1.046
  203   1HA   GLY  24          1HA       GLY  24   3.454   8.267  -0.765
  204   2HA   GLY  24          2HA       GLY  24   2.148   7.129  -0.787
  205    HA   PRO  25           HA       PRO  25   0.479  10.192  -4.014
  206   1HB   PRO  25          1HB       PRO  25   2.466  12.154  -5.476
  207   2HB   PRO  25          2HB       PRO  25   0.907  12.393  -4.873
  208   1HG   PRO  25          1HG       PRO  25   3.624  12.666  -3.718
  209   2HG   PRO  25          2HG       PRO  25   2.147  13.242  -3.028
  210   1HD   PRO  25          1HD       PRO  25   3.468  11.093  -1.825
  211   2HD   PRO  25          2HD       PRO  25   1.807  11.571  -1.466
  212    H    LEU  26           H        LEU  26   1.091   7.929  -4.567
  213    HA   LEU  26           HA       LEU  26   1.962   7.493  -7.514
  214   1HB   LEU  26          2HB       LEU  26   2.133   5.429  -5.018
  215   2HB   LEU  26          1HB       LEU  26   2.460   4.964  -6.711
  216    HG   LEU  26           HG       LEU  26   4.529   6.930  -6.430
  217   1HD1  LEU  26          1HD2      LEU  26   3.288   6.642  -3.705
  218   2HD1  LEU  26          2HD2      LEU  26   4.570   7.634  -4.380
  219   3HD1  LEU  26          3HD2      LEU  26   5.050   5.991  -3.611
  220   1HD2  LEU  26          1HD1      LEU  26   6.017   5.159  -6.348
  221   2HD2  LEU  26          2HD1      LEU  26   4.749   4.846  -7.372
  222   3HD2  LEU  26          3HD1      LEU  26   4.849   3.989  -5.572
  223    H    CYS  27           H        CYS  27  -0.486   6.119  -5.285
  224    HA   CYS  27           HA       CYS  27  -1.810   5.187  -7.785
  225   1HB   CYS  27          1HB       CYS  27  -2.343   3.064  -6.846
  226   2HB   CYS  27          2HB       CYS  27  -0.741   3.348  -7.396
  227    HG   CYS  27           HG       CYS  27  -0.737   3.796  -4.088
  228    HA   PRO  28           HA       PRO  28  -5.240   7.471  -5.512
  229   1HB   PRO  28          1HB       PRO  28  -7.610   6.163  -6.607
  230   2HB   PRO  28          2HB       PRO  28  -6.545   7.490  -7.232
  231   1HG   PRO  28          1HG       PRO  28  -6.886   4.771  -8.450
  232   2HG   PRO  28          2HG       PRO  28  -6.252   6.426  -9.002
  233   1HD   PRO  28          1HD       PRO  28  -4.259   4.300  -8.409
  234   2HD   PRO  28          2HD       PRO  28  -4.120   6.046  -8.686
  235    H    ALA  29           H        ALA  29  -4.677   5.818  -3.501
  236    HA   ALA  29           HA       ALA  29  -5.741   5.036  -1.429
  237   1HB   ALA  29          1HB       ALA  29  -7.955   4.643  -3.442
  238   2HB   ALA  29          2HB       ALA  29  -8.642   4.604  -1.995
  239   3HB   ALA  29          3HB       ALA  29  -7.911   6.012  -2.414
  240    H    CYS  30           H        CYS  30  -4.282   3.451  -3.399
  241    HA   CYS  30           HA       CYS  30  -5.597   0.577  -3.520
  242   1HB   CYS  30          1HB       CYS  30  -4.881   1.271  -5.301
  243   2HB   CYS  30          2HB       CYS  30  -3.181   1.892  -4.726
  244    HG   CYS  30           HG       CYS  30  -2.027  -0.159  -4.742
  245    H    MET  31           H        MET  31  -4.038   1.812  -1.023
  246    HA   MET  31           HA       MET  31  -2.441  -0.578  -0.076
  247   1HB   MET  31          2HB       MET  31  -1.380   1.665   0.865
  248   2HB   MET  31          1HB       MET  31  -2.978   1.938   1.690
  249   1HG   MET  31          2HG       MET  31  -1.540  -0.755   2.170
  250   2HG   MET  31          1HG       MET  31  -0.873   0.791   2.960
  251   1HE   MET  31          1HE       MET  31  -1.835   0.570   5.941
  252   2HE   MET  31          2HE       MET  31  -2.704  -0.730   6.195
  253   3HE   MET  31          3HE       MET  31  -1.226  -0.880   5.027
  254    H    LYS  32           H        LYS  32  -5.676   1.023   0.710
  255    HA   LYS  32           HA       LYS  32  -6.344  -0.827   3.024
  256   1HB   LYS  32          1HB       LYS  32  -8.919  -0.086   2.601
  257   2HB   LYS  32          2HB       LYS  32  -7.934   1.184   2.971
  258   1HG   LYS  32          1HG       LYS  32  -7.933   0.989  -0.037
  259   2HG   LYS  32          2HG       LYS  32  -9.441   0.330   0.516
  260   1HD   LYS  32          2HD       LYS  32  -9.586   2.582   1.928
  261   2HD   LYS  32          1HD       LYS  32  -8.330   3.300   0.782
  262   1HE   LYS  32          1HE       LYS  32  -9.919   2.376  -1.218
  263   2HE   LYS  32          2HE       LYS  32 -11.084   2.060   0.100
  264   1HZ   LYS  32          1HZ       LYS  32 -10.249   4.696  -0.888
  265   2HZ   LYS  32          2HZ       LYS  32 -11.723   4.223  -0.380
  266   3HZ   LYS  32          3HZ       LYS  32 -10.670   4.569   0.820
  267    H    ALA  33           H        ALA  33  -7.274  -0.967  -0.268
  268    HA   ALA  33           HA       ALA  33  -8.704  -3.259  -0.841
  269   1HB   ALA  33          1HB       ALA  33  -7.686  -1.686  -2.964
  270   2HB   ALA  33          2HB       ALA  33  -6.267  -2.551  -2.702
  271   3HB   ALA  33          3HB       ALA  33  -7.557  -3.522  -3.175
  272    H    THR  34           H        THR  34  -5.274  -3.279  -0.486
  273    HA   THR  34           HA       THR  34  -4.324  -6.118  -0.793
  274    HB   THR  34           HB       THR  34  -3.304  -3.960   1.311
  275    HG1  THR  34           HG1      THR  34  -2.237  -2.892  -0.159
  276   1HG2  THR  34          1HG2      THR  34  -1.859  -6.133  -0.406
  277   2HG2  THR  34          2HG2      THR  34  -1.042  -4.857   0.701
  278   3HG2  THR  34          3HG2      THR  34  -2.079  -6.305   1.269
  279    H    LEU  35           H        LEU  35  -5.776  -4.076   1.873
  280    HA   LEU  35           HA       LEU  35  -5.814  -6.172   3.833
  281   1HB   LEU  35          2HB       LEU  35  -7.005  -3.475   4.376
  282   2HB   LEU  35          1HB       LEU  35  -7.219  -4.881   5.533
  283    HG   LEU  35           HG       LEU  35  -4.607  -5.312   5.084
  284   1HD1  LEU  35          1HD1      LEU  35  -4.219  -2.555   5.780
  285   2HD1  LEU  35          2HD1      LEU  35  -4.721  -2.599   4.122
  286   3HD1  LEU  35          3HD1      LEU  35  -3.345  -3.708   4.473
  287   1HD2  LEU  35          1HD2      LEU  35  -5.557  -5.530   7.075
  288   2HD2  LEU  35          2HD2      LEU  35  -3.998  -4.695   7.176
  289   3HD2  LEU  35          3HD2      LEU  35  -5.327  -3.730   7.592
  290    H    GLN  36           H        GLN  36  -7.626  -5.547   1.278
  291    HA   GLN  36           HA       GLN  36 -10.385  -7.219   1.848
  292   1HB   GLN  36          1HB       GLN  36  -9.352  -6.578  -1.098
  293   2HB   GLN  36          2HB       GLN  36 -10.901  -7.332  -0.627
  294   1HG   GLN  36          1HG       GLN  36 -11.387  -5.105   0.770
  295   2HG   GLN  36          2HG       GLN  36  -9.920  -4.610   0.116
  296   1HE2  GLN  36          2HE2      GLN  36 -13.085  -5.644  -0.914
  297   2HE2  GLN  36          1HE2      GLN  36 -13.181  -4.111  -1.787
  298    HA   PRO  37           HA       PRO  37  -7.805 -11.072   0.653
  299   1HB   PRO  37          1HB       PRO  37  -4.757 -10.414   0.342
  300   2HB   PRO  37          2HB       PRO  37  -5.792 -11.536  -0.545
  301   1HG   PRO  37          1HG       PRO  37  -5.073  -8.846  -1.234
  302   2HG   PRO  37          2HG       PRO  37  -6.245  -9.866  -2.236
  303   1HD   PRO  37          1HD       PRO  37  -6.422  -7.535  -0.609
  304   2HD   PRO  37          2HD       PRO  37  -7.745  -8.294  -1.369
  305    H    GLU  38           H        GLU  38  -5.711  -8.570   2.361
  306    HA   GLU  38           HA       GLU  38  -4.641 -10.396   4.429
  307   1HB   GLU  38          1HB       GLU  38  -2.945  -8.817   4.063
  308   2HB   GLU  38          2HB       GLU  38  -3.888  -7.393   4.417
  309   1HG   GLU  38          1HG       GLU  38  -3.831  -8.281   6.974
  310   2HG   GLU  38          2HG       GLU  38  -2.835  -9.578   6.557
  Start of MODEL    6
    1   1H    TRP   1          1H        TRP   1  -2.986  -2.002 -12.275
    2   2H    TRP   1          2H        TRP   1  -2.184  -3.413 -12.168
    3   3H    TRP   1          3H        TRP   1  -3.922  -3.335 -12.429
    4    HA   TRP   1           HA       TRP   1  -1.912  -2.266 -10.284
    5   1HB   TRP   1          1HB       TRP   1  -3.332  -0.687  -9.528
    6   2HB   TRP   1          2HB       TRP   1  -3.875  -0.616 -11.258
    7    HD1  TRP   1           HD1      TRP   1  -6.030  -1.941 -12.036
    8    HE1  TRP   1           HE1      TRP   1  -8.369  -2.555 -10.921
    9    HE3  TRP   1           HE3      TRP   1  -4.815  -1.325  -7.343
   10    HZ2  TRP   1           HZ2      TRP   1  -9.480  -2.205  -8.451
   11    HZ3  TRP   1           HZ3      TRP   1  -6.177  -1.835  -5.414
   12    HH2  TRP   1           HH2      TRP   1  -8.711  -2.306  -5.877
   13    H    LEU   2           H        LEU   2  -3.873  -4.921 -10.708
   14    HA   LEU   2           HA       LEU   2  -4.516  -5.601  -7.853
   15   1HB   LEU   2          1HB       LEU   2  -4.321  -7.073 -10.723
   16   2HB   LEU   2          2HB       LEU   2  -4.102  -8.049  -9.305
   17    HG   LEU   2           HG       LEU   2  -6.400  -8.113  -8.881
   18   1HD1  LEU   2          1HD1      LEU   2  -6.864  -5.364  -9.706
   19   2HD1  LEU   2          2HD1      LEU   2  -8.095  -6.696  -9.354
   20   3HD1  LEU   2          3HD1      LEU   2  -7.597  -6.364 -10.947
   21   1HD2  LEU   2          1HD2      LEU   2  -6.998  -8.450 -11.668
   22   2HD2  LEU   2          2HD2      LEU   2  -6.726  -9.557 -10.304
   23   3HD2  LEU   2          3HD2      LEU   2  -5.282  -8.953 -11.218
   24    H    ILE   3           H        ILE   3  -1.716  -5.828 -10.179
   25    HA   ILE   3           HA       ILE   3   0.261  -7.190  -8.415
   26    HB   ILE   3           HB       ILE   3   0.278  -6.744 -11.116
   27   1HG1  ILE   3          1HG1      ILE   3   2.990  -6.338 -11.077
   28   2HG1  ILE   3          2HG1      ILE   3   2.766  -6.110  -9.117
   29   1HG2  ILE   3          1HG2      ILE   3  -0.014  -4.198 -11.366
   30   2HG2  ILE   3          2HG2      ILE   3   1.518  -4.036 -10.356
   31   3HG2  ILE   3          3HG2      ILE   3   1.522  -4.858 -12.060
   32   1HD1  ILE   3          1HD1      ILE   3   2.125  -8.636  -9.231
   33   2HD1  ILE   3          2HD1      ILE   3   1.974  -8.591 -10.942
   34   3HD1  ILE   3          3HD1      ILE   3   3.588  -8.401 -10.278
   35    H    CYS   4           H        CYS   4  -1.199  -4.365  -8.354
   36    HA   CYS   4           HA       CYS   4   1.341  -2.961  -7.039
   37   1HB   CYS   4          2HB       CYS   4  -0.279  -1.477  -8.474
   38   2HB   CYS   4          1HB       CYS   4  -1.603  -1.784  -7.406
   39    HG   CYS   4           HG       CYS   4   1.415  -1.034  -5.667
   40    H    GLU   5           H        GLU   5  -2.151  -3.144  -6.309
   41    HA   GLU   5           HA       GLU   5  -2.086  -2.846  -3.401
   42   1HB   GLU   5          2HB       GLU   5  -4.051  -3.942  -2.903
   43   2HB   GLU   5          1HB       GLU   5  -4.151  -2.788  -3.966
   44   1HG   GLU   5          1HG       GLU   5  -4.184  -4.319  -5.974
   45   2HG   GLU   5          2HG       GLU   5  -3.683  -5.581  -5.308
   46    H    GLU   6           H        GLU   6  -1.717  -6.475  -4.894
   47    HA   GLU   6           HA       GLU   6  -1.332  -7.387  -2.196
   48   1HB   GLU   6          1HB       GLU   6  -2.767  -8.560  -3.751
   49   2HB   GLU   6          2HB       GLU   6  -1.321  -9.037  -4.709
   50   1HG   GLU   6          2HG       GLU   6  -2.487 -10.552  -3.405
   51   2HG   GLU   6          1HG       GLU   6  -0.686 -10.688  -3.277
   52    HA   PRO   7           HA       PRO   7   3.531  -8.073  -3.003
   53   1HB   PRO   7          1HB       PRO   7   4.448  -6.723  -5.443
   54   2HB   PRO   7          2HB       PRO   7   4.613  -8.428  -4.995
   55   1HG   PRO   7          1HG       PRO   7   2.656  -7.101  -6.762
   56   2HG   PRO   7          2HG       PRO   7   3.160  -8.823  -6.808
   57   1HD   PRO   7          1HD       PRO   7   0.669  -7.593  -5.987
   58   2HD   PRO   7          2HD       PRO   7   1.257  -9.276  -5.280
   59    H    THR   8           H        THR   8   3.155  -4.983  -4.832
   60    HA   THR   8           HA       THR   8   5.144  -3.697  -3.286
   61    HB   THR   8           HB       THR   8   3.336  -2.603  -5.330
   62    HG1  THR   8           HG1      THR   8   4.330  -4.117  -6.217
   63   1HG2  THR   8          1HG2      THR   8   5.071  -1.208  -5.997
   64   2HG2  THR   8          2HG2      THR   8   4.054  -0.489  -4.702
   65   3HG2  THR   8          3HG2      THR   8   5.885  -1.071  -4.354
   66    H    CYS   9           H        CYS   9   1.984  -3.112  -3.373
   67    HA   CYS   9           HA       CYS   9   1.541  -0.913  -1.538
   68   1HB   CYS   9          1HB       CYS   9  -0.146  -2.612  -2.928
   69   2HB   CYS   9          2HB       CYS   9  -1.043  -2.048  -1.439
   70    HG   CYS   9           HG       CYS   9  -0.725   0.703  -1.658
   71    H    ARG  10           H        ARG  10   1.335  -4.310  -1.148
   72    HA   ARG  10           HA       ARG  10   1.292  -4.288   1.792
   73   1HB   ARG  10          1HB       ARG  10   0.834  -6.243   0.230
   74   2HB   ARG  10          2HB       ARG  10   2.462  -6.374  -0.217
   75   1HG   ARG  10          2HG       ARG  10   2.325  -6.865   2.779
   76   2HG   ARG  10          1HG       ARG  10   0.914  -7.614   2.071
   77   1HD   ARG  10          1HD       ARG  10   1.781  -9.029   0.487
   78   2HD   ARG  10          2HD       ARG  10   3.595  -8.618   0.836
   79    HE   ARG  10           HE       ARG  10   1.523 -10.096   2.668
   80   1HH1  ARG  10          1HH2      ARG  10   4.998  -9.240   2.193
   81   2HH1  ARG  10          2HH2      ARG  10   5.222  -9.903   3.843
   82   1HH2  ARG  10          2HH1      ARG  10   2.024 -10.696   4.546
   83   2HH2  ARG  10          1HH1      ARG  10   3.693 -10.739   5.048
   84    H    ASN  11           H        ASN  11   4.075  -4.240  -0.361
   85    HA   ASN  11           HA       ASN  11   5.877  -3.799   1.831
   86   1HB   ASN  11          1HB       ASN  11   6.382  -3.199  -1.333
   87   2HB   ASN  11          2HB       ASN  11   7.841  -2.726  -0.079
   88   1HD2  ASN  11          2HD2      ASN  11   5.830  -5.592  -1.050
   89   2HD2  ASN  11          1HD2      ASN  11   7.053  -6.805  -0.310
   90    H    ARG  12           H        ARG  12   3.846  -1.552   0.230
   91    HA   ARG  12           HA       ARG  12   5.173   0.971   1.498
   92   1HB   ARG  12          2HB       ARG  12   3.878   2.494   0.695
   93   2HB   ARG  12          1HB       ARG  12   3.600   1.379  -0.774
   94   1HG   ARG  12          1HG       ARG  12   1.317   0.741   0.115
   95   2HG   ARG  12          2HG       ARG  12   1.635   1.691   1.466
   96   1HD   ARG  12          1HD       ARG  12   0.426   2.609  -0.217
   97   2HD   ARG  12          2HD       ARG  12   1.671   3.722  -0.164
   98    HE   ARG  12           HE       ARG  12   0.835   1.772  -2.259
   99   1HH1  ARG  12          1HH1      ARG  12   3.645   4.015  -1.504
  100   2HH1  ARG  12          2HH1      ARG  12   3.966   3.986  -3.232
  101   1HH2  ARG  12          1HH2      ARG  12   1.446   2.064  -4.418
  102   2HH2  ARG  12          2HH2      ARG  12   2.774   3.269  -4.590
  103    H    THR  13           H        THR  13   2.221  -1.050   2.569
  104    HA   THR  13           HA       THR  13   2.422  -0.586   5.050
  105    HB   THR  13           HB       THR  13   2.028  -3.468   4.187
  106    HG1  THR  13           HG1      THR  13   0.112  -2.989   4.337
  107   1HG2  THR  13          1HG2      THR  13   0.961  -2.385   6.498
  108   2HG2  THR  13          2HG2      THR  13   0.852  -3.833   5.784
  109   3HG2  THR  13          3HG2      THR  13   2.453  -3.426   6.558
  110    H    ARG  14           H        ARG  14   5.268  -1.831   3.816
  111    HA   ARG  14           HA       ARG  14   6.805  -2.284   6.389
  112   1HB   ARG  14          1HB       ARG  14   8.092  -2.115   3.518
  113   2HB   ARG  14          2HB       ARG  14   8.846  -2.275   5.037
  114   1HG   ARG  14          2HG       ARG  14   8.938  -4.398   3.960
  115   2HG   ARG  14          1HG       ARG  14   8.365  -4.160   5.739
  116   1HD   ARG  14          1HD       ARG  14   5.892  -4.396   4.260
  117   2HD   ARG  14          2HD       ARG  14   7.049  -5.069   3.035
  118    HE   ARG  14           HE       ARG  14   7.551  -6.503   5.352
  119   1HH1  ARG  14          1HH1      ARG  14   4.231  -5.622   4.537
  120   2HH1  ARG  14          2HH1      ARG  14   3.675  -7.221   5.203
  121   1HH2  ARG  14          1HH2      ARG  14   6.516  -8.403   6.040
  122   2HH2  ARG  14          2HH2      ARG  14   4.676  -8.296   6.258
  123    H    HIS  15           H        HIS  15   5.701   0.347   4.186
  124    HA   HIS  15           HA       HIS  15   7.809   2.206   5.195
  125   1HB   HIS  15          2HB       HIS  15   5.167   3.112   3.879
  126   2HB   HIS  15          1HB       HIS  15   6.631   3.861   4.117
  127    HD1  HIS  15           HD1      HIS  15   5.063   4.144   1.447
  128    HD2  HIS  15           HD2      HIS  15   8.709   1.795   2.223
  129    HE1  HIS  15           HE1      HIS  15   6.477   3.816  -0.723
  130    HE2  HIS  15           HE2      HIS  15   8.470   2.538  -0.429
  131    H    LEU  16           H        LEU  16   5.134   0.636   6.386
  132    HA   LEU  16           HA       LEU  16   3.548   3.150   7.791
  133   1HB   LEU  16          1HB       LEU  16   2.429   0.853   6.754
  134   2HB   LEU  16          2HB       LEU  16   3.012   0.131   8.278
  135    HG   LEU  16           HG       LEU  16   1.365   2.601   8.800
  136   1HD1  LEU  16          1HD2      LEU  16   0.126   1.600   6.709
  137   2HD1  LEU  16          2HD2      LEU  16   0.228  -0.017   7.303
  138   3HD1  LEU  16          3HD2      LEU  16  -0.885   1.365   8.146
  139   1HD2  LEU  16          1HD1      LEU  16   0.152   0.874  10.492
  140   2HD2  LEU  16          2HD1      LEU  16   1.260  -0.384   9.657
  141   3HD2  LEU  16          3HD1      LEU  16   2.051   0.881  10.586
  142    HA   PRO  17           HA       PRO  17   6.484   1.484  11.570
  143   1HB   PRO  17          1HB       PRO  17   8.599   0.203   9.502
  144   2HB   PRO  17          2HB       PRO  17   8.266  -0.102  11.330
  145   1HG   PRO  17          1HG       PRO  17   7.218  -1.843   9.501
  146   2HG   PRO  17          2HG       PRO  17   6.509  -1.392  11.162
  147   1HD   PRO  17          1HD       PRO  17   5.647  -0.622   8.417
  148   2HD   PRO  17          2HD       PRO  17   4.652  -0.407  10.033
  149    H    LEU  18           H        LEU  18   7.543   3.058   8.390
  150    HA   LEU  18           HA       LEU  18   8.924   5.269  10.121
  151   1HB   LEU  18          2HB       LEU  18   9.563   6.306   8.061
  152   2HB   LEU  18          1HB       LEU  18  10.286   4.773   8.398
  153    HG   LEU  18           HG       LEU  18   8.621   3.716   6.588
  154   1HD1  LEU  18          1HD1      LEU  18   8.717   6.652   5.562
  155   2HD1  LEU  18          2HD1      LEU  18   8.091   5.326   4.664
  156   3HD1  LEU  18          3HD1      LEU  18   7.297   5.692   6.325
  157   1HD2  LEU  18          1HD2      LEU  18  10.818   5.604   5.304
  158   2HD2  LEU  18          2HD2      LEU  18  10.191   4.025   4.803
  159   3HD2  LEU  18          3HD2      LEU  18  11.341   4.259   6.294
  160    H    GLN  19           H        GLN  19   6.337   4.916   7.853
  161    HA   GLN  19           HA       GLN  19   4.316   5.938   7.474
  162   1HB   GLN  19          1HB       GLN  19   4.139   5.188   9.809
  163   2HB   GLN  19          2HB       GLN  19   4.395   6.836  10.580
  164   1HG   GLN  19          2HG       GLN  19   2.306   7.709   9.904
  165   2HG   GLN  19          1HG       GLN  19   2.171   6.460   8.533
  166   1HE2  GLN  19          1HE2      GLN  19   1.918   6.999  12.163
  167   2HE2  GLN  19          2HE2      GLN  19   0.750   5.909  12.523
  168    H    PHE  20           H        PHE  20   6.748   7.782   7.154
  169    HA   PHE  20           HA       PHE  20   5.485  10.317   6.943
  170   1HB   PHE  20          2HB       PHE  20   7.381  11.209   5.971
  171   2HB   PHE  20          1HB       PHE  20   7.695  10.618   7.520
  172    HD1  PHE  20           HD1      PHE  20   9.532   8.540   7.600
  173    HD2  PHE  20           HD2      PHE  20   8.418  10.578   4.041
  174    HE1  PHE  20           HE1      PHE  20  11.660   7.790   6.552
  175    HE2  PHE  20           HE2      PHE  20  10.583  10.008   3.009
  176    HZ   PHE  20           HZ       PHE  20  12.148   8.460   4.065
  177    H    SER  21           H        SER  21   5.962   7.842   4.927
  178    HA   SER  21           HA       SER  21   4.672   9.288   2.571
  179   1HB   SER  21          2HB       SER  21   6.819   7.524   1.866
  180   2HB   SER  21          1HB       SER  21   5.880   6.320   2.874
  181    HG   SER  21           HG       SER  21   4.981   8.021   0.547
  182    H    ARG  22           H        ARG  22   2.762   8.885   4.718
  183    HA   ARG  22           HA       ARG  22   1.231   6.441   4.302
  184   1HB   ARG  22          1HB       ARG  22   0.017   7.361   6.154
  185   2HB   ARG  22          2HB       ARG  22   1.677   7.501   6.476
  186   1HG   ARG  22          1HG       ARG  22  -0.540   9.416   5.612
  187   2HG   ARG  22          2HG       ARG  22   0.153   9.371   7.316
  188   1HD   ARG  22          1HD       ARG  22   2.449  10.024   6.500
  189   2HD   ARG  22          2HD       ARG  22   1.806  10.850   5.176
  190    HE   ARG  22           HE       ARG  22   0.393  12.375   6.434
  191   1HH1  ARG  22          1HH2      ARG  22   2.541  10.244   8.292
  192   2HH1  ARG  22          2HH2      ARG  22   3.267  11.558   9.134
  193   1HH2  ARG  22          1HH1      ARG  22   1.198  14.106   7.720
  194   2HH2  ARG  22          2HH1      ARG  22   2.167  13.608   9.183
  195    H    THR  23           H        THR  23   1.144   9.475   2.991
  196    HA   THR  23           HA       THR  23  -1.572   9.417   1.508
  197    HB   THR  23           HB       THR  23  -0.382  11.680   0.592
  198    HG1  THR  23           HG1      THR  23   1.243  11.003   2.811
  199   1HG2  THR  23          1HG2      THR  23  -1.046  13.106   2.766
  200   2HG2  THR  23          2HG2      THR  23  -2.305  11.850   2.395
  201   3HG2  THR  23          3HG2      THR  23  -1.111  11.400   3.632
  202    H    GLY  24           H        GLY  24   1.674   8.709   1.289
  203   1HA   GLY  24          1HA       GLY  24   3.385   8.425  -0.784
  204   2HA   GLY  24          2HA       GLY  24   1.961   7.328  -0.919
  205    HA   PRO  25           HA       PRO  25   0.359  10.328  -4.259
  206   1HB   PRO  25          1HB       PRO  25   2.207  11.883  -5.620
  207   2HB   PRO  25          2HB       PRO  25   0.815  12.195  -4.530
  208   1HG   PRO  25          1HG       PRO  25   3.738  12.606  -3.591
  209   2HG   PRO  25          2HG       PRO  25   2.101  13.154  -3.167
  210   1HD   PRO  25          1HD       PRO  25   3.383  11.086  -1.614
  211   2HD   PRO  25          2HD       PRO  25   1.535  11.577  -1.781
  212    H    LEU  26           H        LEU  26   0.870   8.052  -4.698
  213    HA   LEU  26           HA       LEU  26   2.140   7.554  -7.419
  214   1HB   LEU  26          2HB       LEU  26   2.077   5.509  -5.132
  215   2HB   LEU  26          1HB       LEU  26   2.550   4.977  -6.743
  216    HG   LEU  26           HG       LEU  26   4.427   7.040  -6.414
  217   1HD1  LEU  26          1HD2      LEU  26   3.319   6.531  -3.632
  218   2HD1  LEU  26          2HD2      LEU  26   4.813   7.509  -4.077
  219   3HD1  LEU  26          3HD2      LEU  26   4.855   5.632  -3.960
  220   1HD2  LEU  26          1HD1      LEU  26   5.950   5.166  -6.172
  221   2HD2  LEU  26          2HD1      LEU  26   4.716   4.557  -7.431
  222   3HD2  LEU  26          3HD1      LEU  26   4.647   4.010  -5.938
  223    H    CYS  27           H        CYS  27  -0.584   6.156  -5.338
  224    HA   CYS  27           HA       CYS  27  -1.946   5.147  -7.745
  225   1HB   CYS  27          1HB       CYS  27  -2.372   2.880  -7.022
  226   2HB   CYS  27          2HB       CYS  27  -0.595   3.403  -7.097
  227    HG   CYS  27           HG       CYS  27  -0.693   3.712  -4.196
  228    HA   PRO  28           HA       PRO  28  -5.427   7.287  -5.155
  229   1HB   PRO  28          1HB       PRO  28  -7.668   6.427  -6.649
  230   2HB   PRO  28          2HB       PRO  28  -6.311   7.526  -7.280
  231   1HG   PRO  28          1HG       PRO  28  -6.628   4.688  -8.252
  232   2HG   PRO  28          2HG       PRO  28  -6.353   6.171  -9.259
  233   1HD   PRO  28          1HD       PRO  28  -4.272   4.236  -8.239
  234   2HD   PRO  28          2HD       PRO  28  -3.934   5.998  -8.579
  235    H    ALA  29           H        ALA  29  -4.660   5.838  -3.466
  236    HA   ALA  29           HA       ALA  29  -5.632   5.186  -1.358
  237   1HB   ALA  29          1HB       ALA  29  -8.199   4.519  -3.139
  238   2HB   ALA  29          2HB       ALA  29  -8.000   4.533  -1.396
  239   3HB   ALA  29          3HB       ALA  29  -7.753   6.141  -2.526
  240    H    CYS  30           H        CYS  30  -4.099   3.302  -3.259
  241    HA   CYS  30           HA       CYS  30  -5.597   0.715  -3.286
  242   1HB   CYS  30          1HB       CYS  30  -4.888   1.483  -5.499
  243   2HB   CYS  30          2HB       CYS  30  -3.257   2.015  -4.791
  244    HG   CYS  30           HG       CYS  30  -2.428  -0.490  -4.487
  245    H    MET  31           H        MET  31  -3.811   1.929  -0.934
  246    HA   MET  31           HA       MET  31  -2.412  -0.619  -0.008
  247   1HB   MET  31          2HB       MET  31  -1.626   1.575   0.765
  248   2HB   MET  31          1HB       MET  31  -3.025   1.938   1.809
  249   1HG   MET  31          2HG       MET  31  -1.374  -0.730   2.318
  250   2HG   MET  31          1HG       MET  31  -0.984   0.778   3.237
  251   1HE   MET  31          1HE       MET  31  -1.488   0.777   5.386
  252   2HE   MET  31          2HE       MET  31  -3.010  -0.443   6.066
  253   3HE   MET  31          3HE       MET  31  -1.503  -1.064   5.277
  254    H    LYS  32           H        LYS  32  -5.816   0.915   0.709
  255    HA   LYS  32           HA       LYS  32  -6.424  -0.739   3.049
  256   1HB   LYS  32          1HB       LYS  32  -8.701  -0.202   2.640
  257   2HB   LYS  32          2HB       LYS  32  -7.626   1.223   2.837
  258   1HG   LYS  32          1HG       LYS  32  -7.927   0.960  -0.037
  259   2HG   LYS  32          2HG       LYS  32  -9.438   0.418   0.623
  260   1HD   LYS  32          2HD       LYS  32  -9.492   2.846   2.014
  261   2HD   LYS  32          1HD       LYS  32  -8.268   3.173   0.705
  262   1HE   LYS  32          1HE       LYS  32  -9.916   2.488  -1.169
  263   2HE   LYS  32          2HE       LYS  32 -11.059   2.133   0.167
  264   1HZ   LYS  32          1HZ       LYS  32  -9.943   4.799  -0.549
  265   2HZ   LYS  32          2HZ       LYS  32 -11.468   4.160  -0.789
  266   3HZ   LYS  32          3HZ       LYS  32 -10.873   4.707   0.679
  267    H    ALA  33           H        ALA  33  -7.344  -1.013  -0.395
  268    HA   ALA  33           HA       ALA  33  -8.637  -3.329  -0.713
  269   1HB   ALA  33          1HB       ALA  33  -8.011  -1.648  -2.690
  270   2HB   ALA  33          2HB       ALA  33  -6.357  -2.438  -2.810
  271   3HB   ALA  33          3HB       ALA  33  -7.926  -3.205  -3.334
  272    H    THR  34           H        THR  34  -5.223  -3.214  -0.558
  273    HA   THR  34           HA       THR  34  -4.439  -6.100  -0.860
  274    HB   THR  34           HB       THR  34  -3.447  -3.819   1.276
  275    HG1  THR  34           HG1      THR  34  -2.716  -2.652  -0.172
  276   1HG2  THR  34          1HG2      THR  34  -2.044  -6.152  -0.470
  277   2HG2  THR  34          2HG2      THR  34  -1.114  -4.934   0.497
  278   3HG2  THR  34          3HG2      THR  34  -2.121  -5.958   1.440
  279    H    LEU  35           H        LEU  35  -5.807  -4.209   1.678
  280    HA   LEU  35           HA       LEU  35  -6.142  -6.477   3.863
  281   1HB   LEU  35          2HB       LEU  35  -6.984  -3.545   4.678
  282   2HB   LEU  35          1HB       LEU  35  -7.077  -5.200   5.427
  283    HG   LEU  35           HG       LEU  35  -4.428  -5.257   4.995
  284   1HD1  LEU  35          1HD1      LEU  35  -3.918  -2.400   5.585
  285   2HD1  LEU  35          2HD1      LEU  35  -4.784  -2.622   3.989
  286   3HD1  LEU  35          3HD1      LEU  35  -3.384  -3.325   4.471
  287   1HD2  LEU  35          1HD2      LEU  35  -5.756  -5.368   7.277
  288   2HD2  LEU  35          2HD2      LEU  35  -4.083  -4.836   7.313
  289   3HD2  LEU  35          3HD2      LEU  35  -5.578  -3.690   7.382
  290    H    GLN  36           H        GLN  36  -7.953  -5.381   1.212
  291    HA   GLN  36           HA       GLN  36 -10.339  -6.957   1.871
  292   1HB   GLN  36          1HB       GLN  36  -9.487  -6.731  -1.118
  293   2HB   GLN  36          2HB       GLN  36 -11.010  -7.395  -0.472
  294   1HG   GLN  36          1HG       GLN  36 -11.449  -5.264   0.593
  295   2HG   GLN  36          2HG       GLN  36  -9.917  -4.479   0.220
  296   1HE2  GLN  36          2HE2      GLN  36 -13.079  -5.412  -0.680
  297   2HE2  GLN  36          1HE2      GLN  36 -13.224  -4.261  -2.004
  298    HA   PRO  37           HA       PRO  37  -7.542 -11.252   0.817
  299   1HB   PRO  37          1HB       PRO  37  -4.779 -10.521   0.364
  300   2HB   PRO  37          2HB       PRO  37  -5.973 -11.532  -0.667
  301   1HG   PRO  37          1HG       PRO  37  -4.847  -9.108  -1.415
  302   2HG   PRO  37          2HG       PRO  37  -6.137  -9.890  -2.132
  303   1HD   PRO  37          1HD       PRO  37  -6.480  -7.584  -0.356
  304   2HD   PRO  37          2HD       PRO  37  -7.733  -8.416  -1.350
  305    H    GLU  38           H        GLU  38  -5.793  -8.486   2.637
  306    HA   GLU  38           HA       GLU  38  -4.468 -10.372   4.501
  307   1HB   GLU  38          1HB       GLU  38  -3.121  -8.957   3.976
  308   2HB   GLU  38          2HB       GLU  38  -3.894  -7.474   4.247
  309   1HG   GLU  38          1HG       GLU  38  -3.957  -7.978   6.818
  310   2HG   GLU  38          2HG       GLU  38  -3.173  -9.596   6.313
  Start of MODEL    7
    1   1H    TRP   1          1H        TRP   1  -3.011  -2.315 -12.580
    2   2H    TRP   1          2H        TRP   1  -2.370  -3.730 -12.137
    3   3H    TRP   1          3H        TRP   1  -3.933  -3.318 -12.441
    4    HA   TRP   1           HA       TRP   1  -2.019  -2.328 -10.363
    5   1HB   TRP   1          1HB       TRP   1  -3.622  -0.909  -9.306
    6   2HB   TRP   1          2HB       TRP   1  -3.515  -0.434 -10.946
    7    HD1  TRP   1           HD1      TRP   1  -6.255  -1.793 -12.227
    8    HE1  TRP   1           HE1      TRP   1  -8.418  -2.363 -11.123
    9    HE3  TRP   1           HE3      TRP   1  -4.586  -1.284  -7.185
   10    HZ2  TRP   1           HZ2      TRP   1  -9.411  -2.505  -8.479
   11    HZ3  TRP   1           HZ3      TRP   1  -6.497  -1.591  -5.467
   12    HH2  TRP   1           HH2      TRP   1  -8.750  -2.049  -5.998
   13    H    LEU   2           H        LEU   2  -4.134  -4.953 -10.604
   14    HA   LEU   2           HA       LEU   2  -4.670  -5.936  -7.926
   15   1HB   LEU   2          1HB       LEU   2  -4.174  -7.110 -10.926
   16   2HB   LEU   2          2HB       LEU   2  -4.092  -8.215  -9.832
   17    HG   LEU   2           HG       LEU   2  -6.345  -8.288  -9.136
   18   1HD1  LEU   2          1HD1      LEU   2  -7.307  -6.306  -9.012
   19   2HD1  LEU   2          2HD1      LEU   2  -7.899  -6.819 -10.637
   20   3HD1  LEU   2          3HD1      LEU   2  -6.540  -5.618 -10.525
   21   1HD2  LEU   2          1HD2      LEU   2  -6.751  -8.270 -11.971
   22   2HD2  LEU   2          2HD2      LEU   2  -6.935  -9.598 -10.742
   23   3HD2  LEU   2          3HD2      LEU   2  -5.445  -9.189 -11.492
   24    H    ILE   3           H        ILE   3  -2.096  -5.501 -10.036
   25    HA   ILE   3           HA       ILE   3   0.020  -7.230  -8.766
   26    HB   ILE   3           HB       ILE   3   0.248  -6.488 -11.303
   27   1HG1  ILE   3          1HG1      ILE   3   2.883  -6.487 -11.213
   28   2HG1  ILE   3          2HG1      ILE   3   2.885  -6.027  -9.560
   29   1HG2  ILE   3          1HG2      ILE   3  -0.173  -4.106 -11.039
   30   2HG2  ILE   3          2HG2      ILE   3   1.334  -3.907 -10.488
   31   3HG2  ILE   3          3HG2      ILE   3   1.203  -4.775 -11.933
   32   1HD1  ILE   3          1HD1      ILE   3   1.900  -8.612  -9.238
   33   2HD1  ILE   3          2HD1      ILE   3   1.927  -8.548 -10.993
   34   3HD1  ILE   3          3HD1      ILE   3   3.471  -8.457 -10.118
   35    H    CYS   4           H        CYS   4  -1.127  -4.144  -8.494
   36    HA   CYS   4           HA       CYS   4   1.307  -2.732  -7.125
   37   1HB   CYS   4          2HB       CYS   4  -0.042  -1.298  -8.406
   38   2HB   CYS   4          1HB       CYS   4  -1.380  -1.526  -7.279
   39    HG   CYS   4           HG       CYS   4   1.464  -0.928  -5.791
   40    H    GLU   5           H        GLU   5  -2.013  -3.042  -6.257
   41    HA   GLU   5           HA       GLU   5  -1.743  -2.930  -3.623
   42   1HB   GLU   5          2HB       GLU   5  -3.856  -4.284  -3.173
   43   2HB   GLU   5          1HB       GLU   5  -3.945  -2.956  -4.147
   44   1HG   GLU   5          1HG       GLU   5  -4.373  -4.249  -6.273
   45   2HG   GLU   5          2HG       GLU   5  -3.652  -5.706  -5.319
   46    H    GLU   6           H        GLU   6  -1.847  -6.412  -4.935
   47    HA   GLU   6           HA       GLU   6  -1.263  -7.341  -2.216
   48   1HB   GLU   6          1HB       GLU   6  -2.680  -8.460  -3.756
   49   2HB   GLU   6          2HB       GLU   6  -1.290  -8.977  -4.805
   50   1HG   GLU   6          2HG       GLU   6  -2.360 -10.726  -3.454
   51   2HG   GLU   6          1HG       GLU   6  -0.732 -10.770  -3.309
   52    HA   PRO   7           HA       PRO   7   3.364  -7.928  -2.897
   53   1HB   PRO   7          1HB       PRO   7   4.780  -7.028  -5.245
   54   2HB   PRO   7          2HB       PRO   7   4.399  -8.607  -4.706
   55   1HG   PRO   7          1HG       PRO   7   2.839  -7.342  -6.925
   56   2HG   PRO   7          2HG       PRO   7   3.029  -9.053  -6.262
   57   1HD   PRO   7          1HD       PRO   7   0.815  -7.482  -6.030
   58   2HD   PRO   7          2HD       PRO   7   1.054  -9.003  -5.179
   59    H    THR   8           H        THR   8   3.502  -5.087  -4.697
   60    HA   THR   8           HA       THR   8   5.365  -3.537  -3.224
   61    HB   THR   8           HB       THR   8   3.298  -2.751  -5.545
   62    HG1  THR   8           HG1      THR   8   5.070  -3.145  -6.699
   63   1HG2  THR   8          1HG2      THR   8   5.904  -1.521  -4.922
   64   2HG2  THR   8          2HG2      THR   8   4.594  -0.745  -5.726
   65   3HG2  THR   8          3HG2      THR   8   4.689  -0.833  -3.919
   66    H    CYS   9           H        CYS   9   2.031  -3.301  -3.160
   67    HA   CYS   9           HA       CYS   9   1.797  -0.797  -1.370
   68   1HB   CYS   9          1HB       CYS   9  -0.436  -2.731  -2.048
   69   2HB   CYS   9          2HB       CYS   9  -0.613  -1.543  -0.757
   70    HG   CYS   9           HG       CYS   9  -0.433   0.580  -1.749
   71    H    ARG  10           H        ARG  10   1.435  -4.248  -0.937
   72    HA   ARG  10           HA       ARG  10   1.264  -4.477   2.062
   73   1HB   ARG  10          1HB       ARG  10   0.608  -6.577   0.437
   74   2HB   ARG  10          2HB       ARG  10   2.471  -6.464  -0.136
   75   1HG   ARG  10          2HG       ARG  10   2.823  -6.938   2.427
   76   2HG   ARG  10          1HG       ARG  10   1.184  -7.367   2.601
   77   1HD   ARG  10          1HD       ARG  10   2.004  -9.103   0.369
   78   2HD   ARG  10          2HD       ARG  10   3.539  -8.458   0.815
   79    HE   ARG  10           HE       ARG  10   1.593 -10.151   2.645
   80   1HH1  ARG  10          1HH2      ARG  10   5.058  -9.564   2.076
   81   2HH1  ARG  10          2HH2      ARG  10   5.219 -10.350   3.723
   82   1HH2  ARG  10          2HH1      ARG  10   2.229 -10.932   4.449
   83   2HH2  ARG  10          1HH1      ARG  10   3.928 -10.964   5.022
   84    H    ASN  11           H        ASN  11   3.759  -3.613  -0.196
   85    HA   ASN  11           HA       ASN  11   6.083  -3.756   1.804
   86   1HB   ASN  11          1HB       ASN  11   6.495  -3.478  -0.978
   87   2HB   ASN  11          2HB       ASN  11   7.475  -2.924   0.191
   88   1HD2  ASN  11          2HD2      ASN  11   5.868  -5.734  -0.982
   89   2HD2  ASN  11          1HD2      ASN  11   6.887  -6.971  -0.254
   90    H    ARG  12           H        ARG  12   3.725  -1.540   0.569
   91    HA   ARG  12           HA       ARG  12   5.134   0.739   1.660
   92   1HB   ARG  12          2HB       ARG  12   3.956   2.310   0.652
   93   2HB   ARG  12          1HB       ARG  12   3.789   1.065  -0.644
   94   1HG   ARG  12          1HG       ARG  12   1.383   0.592   0.378
   95   2HG   ARG  12          2HG       ARG  12   1.737   1.868   1.555
   96   1HD   ARG  12          1HD       ARG  12   0.394   2.871  -0.128
   97   2HD   ARG  12          2HD       ARG  12   2.012   3.837  -0.220
   98    HE   ARG  12           HE       ARG  12   0.710   1.963  -2.427
   99   1HH1  ARG  12          1HH1      ARG  12   3.026   3.843  -1.520
  100   2HH1  ARG  12          2HH1      ARG  12   3.707   4.358  -3.248
  101   1HH2  ARG  12          1HH2      ARG  12   1.147   2.263  -4.328
  102   2HH2  ARG  12          2HH2      ARG  12   2.654   3.260  -4.662
  103    H    THR  13           H        THR  13   3.182  -1.771   2.625
  104    HA   THR  13           HA       THR  13   2.364  -0.808   5.254
  105    HB   THR  13           HB       THR  13   1.950  -3.463   4.053
  106    HG1  THR  13           HG1      THR  13   0.639  -1.899   3.190
  107   1HG2  THR  13          1HG2      THR  13   1.635  -2.725   6.856
  108   2HG2  THR  13          2HG2      THR  13   0.470  -3.636   6.021
  109   3HG2  THR  13          3HG2      THR  13   2.292  -4.340   6.010
  110    H    ARG  14           H        ARG  14   5.114  -1.867   3.764
  111    HA   ARG  14           HA       ARG  14   6.512  -2.326   6.406
  112   1HB   ARG  14          1HB       ARG  14   7.978  -2.211   3.756
  113   2HB   ARG  14          2HB       ARG  14   8.689  -2.278   5.334
  114   1HG   ARG  14          2HG       ARG  14   8.737  -4.218   3.843
  115   2HG   ARG  14          1HG       ARG  14   8.475  -4.364   5.613
  116   1HD   ARG  14          1HD       ARG  14   5.915  -4.471   4.259
  117   2HD   ARG  14          2HD       ARG  14   7.040  -5.415   3.298
  118    HE   ARG  14           HE       ARG  14   7.647  -6.813   5.315
  119   1HH1  ARG  14          1HH1      ARG  14   4.655  -5.654   4.409
  120   2HH1  ARG  14          2HH1      ARG  14   3.644  -7.014   5.021
  121   1HH2  ARG  14          1HH2      ARG  14   6.767  -8.320   6.069
  122   2HH2  ARG  14          2HH2      ARG  14   5.087  -8.912   5.822
  123    H    HIS  15           H        HIS  15   5.613   0.099   4.369
  124    HA   HIS  15           HA       HIS  15   7.647   2.111   5.259
  125   1HB   HIS  15          2HB       HIS  15   5.215   2.925   3.781
  126   2HB   HIS  15          1HB       HIS  15   6.546   3.876   4.278
  127    HD1  HIS  15           HD1      HIS  15   5.524   4.395   1.632
  128    HD2  HIS  15           HD2      HIS  15   8.818   1.724   2.084
  129    HE1  HIS  15           HE1      HIS  15   6.404   3.640  -0.612
  130    HE2  HIS  15           HE2      HIS  15   8.317   2.202  -0.375
  131    H    LEU  16           H        LEU  16   4.797   0.446   6.835
  132    HA   LEU  16           HA       LEU  16   3.344   2.940   7.453
  133   1HB   LEU  16          1HB       LEU  16   2.484   0.583   6.886
  134   2HB   LEU  16          2HB       LEU  16   3.154  -0.051   8.435
  135    HG   LEU  16           HG       LEU  16   1.354   2.307   8.701
  136   1HD1  LEU  16          1HD2      LEU  16   0.425   1.815   6.692
  137   2HD1  LEU  16          2HD2      LEU  16   0.068   0.107   6.871
  138   3HD1  LEU  16          3HD2      LEU  16  -0.823   1.475   7.789
  139   1HD2  LEU  16          1HD1      LEU  16  -0.013   0.721  10.396
  140   2HD2  LEU  16          2HD1      LEU  16   0.849  -0.532   9.845
  141   3HD2  LEU  16          3HD1      LEU  16   1.649   0.685  10.558
  142    HA   PRO  17           HA       PRO  17   6.354   1.607  11.598
  143   1HB   PRO  17          1HB       PRO  17   8.292   0.719   9.387
  144   2HB   PRO  17          2HB       PRO  17   8.477   0.216  11.131
  145   1HG   PRO  17          1HG       PRO  17   7.035  -1.552   9.991
  146   2HG   PRO  17          2HG       PRO  17   6.404  -0.816  11.414
  147   1HD   PRO  17          1HD       PRO  17   5.432  -0.568   8.371
  148   2HD   PRO  17          2HD       PRO  17   4.456  -0.289   9.872
  149    H    LEU  18           H        LEU  18   7.401   2.987   8.434
  150    HA   LEU  18           HA       LEU  18   9.031   5.182  10.020
  151   1HB   LEU  18          2HB       LEU  18   9.547   6.335   8.076
  152   2HB   LEU  18          1HB       LEU  18  10.491   4.924   8.168
  153    HG   LEU  18           HG       LEU  18   8.571   3.816   6.488
  154   1HD1  LEU  18          1HD1      LEU  18   8.437   6.768   5.447
  155   2HD1  LEU  18          2HD1      LEU  18   7.908   5.264   4.610
  156   3HD1  LEU  18          3HD1      LEU  18   7.194   5.701   6.120
  157   1HD2  LEU  18          1HD2      LEU  18  10.990   5.651   5.581
  158   2HD2  LEU  18          2HD2      LEU  18  10.092   4.527   4.525
  159   3HD2  LEU  18          3HD2      LEU  18  11.017   3.907   5.890
  160    H    GLN  19           H        GLN  19   6.452   5.017   7.737
  161    HA   GLN  19           HA       GLN  19   4.199   5.747   7.762
  162   1HB   GLN  19          1HB       GLN  19   4.327   5.533  10.357
  163   2HB   GLN  19          2HB       GLN  19   4.378   7.252  10.344
  164   1HG   GLN  19          2HG       GLN  19   2.309   7.656   9.811
  165   2HG   GLN  19          1HG       GLN  19   2.209   6.592   8.594
  166   1HE2  GLN  19          1HE2      GLN  19   2.187   6.713  12.003
  167   2HE2  GLN  19          2HE2      GLN  19   0.885   5.472  12.271
  168    H    PHE  20           H        PHE  20   6.881   7.779   7.211
  169    HA   PHE  20           HA       PHE  20   5.371  10.539   6.944
  170   1HB   PHE  20          2HB       PHE  20   7.391  11.299   5.983
  171   2HB   PHE  20          1HB       PHE  20   7.513  10.615   7.556
  172    HD1  PHE  20           HD1      PHE  20   9.346   8.349   7.344
  173    HD2  PHE  20           HD2      PHE  20   8.400  10.937   3.897
  174    HE1  PHE  20           HE1      PHE  20  11.452   7.555   6.008
  175    HE2  PHE  20           HE2      PHE  20  10.617  10.427   2.971
  176    HZ   PHE  20           HZ       PHE  20  12.122   8.749   3.972
  177    H    SER  21           H        SER  21   5.802   7.714   4.734
  178    HA   SER  21           HA       SER  21   4.226   9.286   2.454
  179   1HB   SER  21          2HB       SER  21   6.523   8.289   1.967
  180   2HB   SER  21          1HB       SER  21   6.061   6.596   2.483
  181    HG   SER  21           HG       SER  21   6.170   7.583   0.259
  182    H    ARG  22           H        ARG  22   3.169   8.584   4.963
  183    HA   ARG  22           HA       ARG  22   1.220   6.701   4.358
  184   1HB   ARG  22          1HB       ARG  22  -0.205   7.316   6.020
  185   2HB   ARG  22          2HB       ARG  22   1.397   7.669   6.692
  186   1HG   ARG  22          1HG       ARG  22  -0.589   9.651   5.679
  187   2HG   ARG  22          2HG       ARG  22  -0.187   9.289   7.361
  188   1HD   ARG  22          1HD       ARG  22   2.369   9.837   6.459
  189   2HD   ARG  22          2HD       ARG  22   1.630  10.670   5.116
  190    HE   ARG  22           HE       ARG  22   0.548  12.141   6.606
  191   1HH1  ARG  22          1HH2      ARG  22   2.948  10.312   8.681
  192   2HH1  ARG  22          2HH2      ARG  22   2.785  11.869   9.634
  193   1HH2  ARG  22          1HH1      ARG  22   1.131  13.820   7.929
  194   2HH2  ARG  22          2HH1      ARG  22   2.466  13.577   9.032
  195    H    THR  23           H        THR  23   1.221   9.260   2.958
  196    HA   THR  23           HA       THR  23  -1.453   9.178   1.396
  197    HB   THR  23           HB       THR  23  -0.390  11.389   0.373
  198    HG1  THR  23           HG1      THR  23   1.353  10.877   2.244
  199   1HG2  THR  23          1HG2      THR  23  -1.300  12.856   2.169
  200   2HG2  THR  23          2HG2      THR  23  -2.298  11.330   1.848
  201   3HG2  THR  23          3HG2      THR  23  -1.350  11.409   3.265
  202    H    GLY  24           H        GLY  24   1.587   9.911   0.740
  203   1HA   GLY  24          1HA       GLY  24   3.358   9.151  -0.812
  204   2HA   GLY  24          2HA       GLY  24   2.826   7.642  -0.882
  205    HA   PRO  25           HA       PRO  25   0.568  10.097  -4.633
  206   1HB   PRO  25          1HB       PRO  25   2.210  12.272  -5.546
  207   2HB   PRO  25          2HB       PRO  25   0.868  12.429  -4.305
  208   1HG   PRO  25          1HG       PRO  25   3.811  11.532  -3.835
  209   2HG   PRO  25          2HG       PRO  25   3.137  12.980  -3.225
  210   1HD   PRO  25          1HD       PRO  25   3.302  11.008  -1.670
  211   2HD   PRO  25          2HD       PRO  25   1.640  11.468  -1.584
  212    H    LEU  26           H        LEU  26   1.419   7.996  -4.750
  213    HA   LEU  26           HA       LEU  26   2.298   7.368  -7.545
  214   1HB   LEU  26          2HB       LEU  26   2.065   5.910  -5.063
  215   2HB   LEU  26          1HB       LEU  26   2.495   5.004  -6.483
  216    HG   LEU  26           HG       LEU  26   4.210   7.342  -6.280
  217   1HD1  LEU  26          1HD2      LEU  26   3.714   6.914  -3.621
  218   2HD1  LEU  26          2HD2      LEU  26   5.465   6.810  -4.113
  219   3HD1  LEU  26          3HD2      LEU  26   4.620   5.566  -3.850
  220   1HD2  LEU  26          1HD1      LEU  26   5.992   5.413  -6.266
  221   2HD2  LEU  26          2HD1      LEU  26   4.937   5.216  -7.657
  222   3HD2  LEU  26          3HD1      LEU  26   4.737   4.260  -6.288
  223    H    CYS  27           H        CYS  27  -0.600   6.346  -5.532
  224    HA   CYS  27           HA       CYS  27  -1.962   5.206  -7.756
  225   1HB   CYS  27          1HB       CYS  27  -2.823   3.434  -6.523
  226   2HB   CYS  27          2HB       CYS  27  -1.457   3.166  -7.374
  227    HG   CYS  27           HG       CYS  27  -0.500   3.744  -4.177
  228    HA   PRO  28           HA       PRO  28  -5.430   7.367  -5.181
  229   1HB   PRO  28          1HB       PRO  28  -7.532   6.742  -6.790
  230   2HB   PRO  28          2HB       PRO  28  -6.128   7.620  -7.614
  231   1HG   PRO  28          1HG       PRO  28  -6.600   4.646  -7.816
  232   2HG   PRO  28          2HG       PRO  28  -6.404   5.733  -9.066
  233   1HD   PRO  28          1HD       PRO  28  -4.103   4.226  -8.066
  234   2HD   PRO  28          2HD       PRO  28  -4.125   6.062  -8.572
  235    H    ALA  29           H        ALA  29  -5.388   6.375  -3.243
  236    HA   ALA  29           HA       ALA  29  -5.285   4.767  -1.500
  237   1HB   ALA  29          1HB       ALA  29  -8.170   4.412  -1.932
  238   2HB   ALA  29          2HB       ALA  29  -7.094   5.355  -0.588
  239   3HB   ALA  29          3HB       ALA  29  -7.876   6.068  -2.095
  240    H    CYS  30           H        CYS  30  -4.269   3.332  -3.358
  241    HA   CYS  30           HA       CYS  30  -5.425   0.407  -3.458
  242   1HB   CYS  30          1HB       CYS  30  -4.640   1.432  -5.406
  243   2HB   CYS  30          2HB       CYS  30  -3.258   1.841  -4.952
  244    HG   CYS  30           HG       CYS  30  -2.571  -0.983  -4.249
  245    H    MET  31           H        MET  31  -3.866   1.962  -0.589
  246    HA   MET  31           HA       MET  31  -2.365  -0.620  -0.042
  247   1HB   MET  31          2HB       MET  31  -1.606   1.640   0.800
  248   2HB   MET  31          1HB       MET  31  -3.118   1.928   1.515
  249   1HG   MET  31          2HG       MET  31  -1.171  -0.487   2.427
  250   2HG   MET  31          1HG       MET  31  -1.027   1.126   3.083
  251   1HE   MET  31          1HE       MET  31  -1.243   0.367   5.336
  252   2HE   MET  31          2HE       MET  31  -2.770   0.913   5.824
  253   3HE   MET  31          3HE       MET  31  -2.471  -0.784   6.017
  254    H    LYS  32           H        LYS  32  -5.712   0.992   0.871
  255    HA   LYS  32           HA       LYS  32  -6.422  -0.719   2.962
  256   1HB   LYS  32          1HB       LYS  32  -8.422   0.428   3.100
  257   2HB   LYS  32          2HB       LYS  32  -7.066   1.656   2.631
  258   1HG   LYS  32          1HG       LYS  32  -7.974   0.824   0.023
  259   2HG   LYS  32          2HG       LYS  32  -9.386   0.369   1.076
  260   1HD   LYS  32          2HD       LYS  32  -9.599   2.729   2.038
  261   2HD   LYS  32          1HD       LYS  32  -8.220   3.083   1.133
  262   1HE   LYS  32          1HE       LYS  32  -9.728   2.317  -0.870
  263   2HE   LYS  32          2HE       LYS  32 -11.021   2.282   0.435
  264   1HZ   LYS  32          1HZ       LYS  32  -9.858   4.864   0.362
  265   2HZ   LYS  32          2HZ       LYS  32 -10.304   4.357  -1.181
  266   3HZ   LYS  32          3HZ       LYS  32 -11.430   4.450   0.062
  267    H    ALA  33           H        ALA  33  -6.498  -1.127  -0.559
  268    HA   ALA  33           HA       ALA  33  -8.654  -3.026  -0.765
  269   1HB   ALA  33          1HB       ALA  33  -8.098  -1.220  -2.571
  270   2HB   ALA  33          2HB       ALA  33  -6.631  -2.038  -2.818
  271   3HB   ALA  33          3HB       ALA  33  -8.063  -2.715  -3.395
  272    H    THR  34           H        THR  34  -5.114  -3.203  -0.649
  273    HA   THR  34           HA       THR  34  -4.379  -5.761  -0.799
  274    HB   THR  34           HB       THR  34  -3.481  -4.121   1.414
  275    HG1  THR  34           HG1      THR  34  -4.067  -2.924  -0.552
  276   1HG2  THR  34          1HG2      THR  34  -2.136  -6.394  -0.146
  277   2HG2  THR  34          2HG2      THR  34  -1.329  -4.862   0.332
  278   3HG2  THR  34          3HG2      THR  34  -2.191  -5.859   1.552
  279    H    LEU  35           H        LEU  35  -5.763  -4.245   2.034
  280    HA   LEU  35           HA       LEU  35  -5.769  -6.620   3.829
  281   1HB   LEU  35          2HB       LEU  35  -7.145  -4.025   4.136
  282   2HB   LEU  35          1HB       LEU  35  -7.134  -5.304   5.357
  283    HG   LEU  35           HG       LEU  35  -4.188  -5.207   5.017
  284   1HD1  LEU  35          1HD1      LEU  35  -4.490  -2.445   5.720
  285   2HD1  LEU  35          2HD1      LEU  35  -5.064  -2.703   3.873
  286   3HD1  LEU  35          3HD1      LEU  35  -3.443  -2.972   4.493
  287   1HD2  LEU  35          1HD2      LEU  35  -5.743  -5.427   7.104
  288   2HD2  LEU  35          2HD2      LEU  35  -4.247  -4.416   7.295
  289   3HD2  LEU  35          3HD2      LEU  35  -5.905  -3.616   7.064
  290    H    GLN  36           H        GLN  36  -7.800  -5.574   1.128
  291    HA   GLN  36           HA       GLN  36 -10.034  -7.301   2.070
  292   1HB   GLN  36          1HB       GLN  36  -9.231  -6.661  -0.743
  293   2HB   GLN  36          2HB       GLN  36 -10.741  -7.501  -0.434
  294   1HG   GLN  36          1HG       GLN  36 -11.012  -5.097   1.032
  295   2HG   GLN  36          2HG       GLN  36  -9.783  -4.569   0.005
  296   1HE2  GLN  36          2HE2      GLN  36 -13.129  -5.487  -0.518
  297   2HE2  GLN  36          1HE2      GLN  36 -13.078  -5.022  -2.163
  298    HA   PRO  37           HA       PRO  37  -7.696 -11.103   0.548
  299   1HB   PRO  37          1HB       PRO  37  -4.738 -10.573   0.400
  300   2HB   PRO  37          2HB       PRO  37  -5.906 -11.561  -0.534
  301   1HG   PRO  37          1HG       PRO  37  -4.927  -8.908  -0.856
  302   2HG   PRO  37          2HG       PRO  37  -5.735  -9.693  -1.959
  303   1HD   PRO  37          1HD       PRO  37  -6.707  -7.401  -0.450
  304   2HD   PRO  37          2HD       PRO  37  -7.719  -8.368  -1.482
  305    H    GLU  38           H        GLU  38  -5.817  -8.551   2.944
  306    HA   GLU  38           HA       GLU  38  -4.560 -10.911   4.241
  307   1HB   GLU  38          1HB       GLU  38  -3.008  -8.875   3.709
  308   2HB   GLU  38          2HB       GLU  38  -4.225  -7.763   4.044
  309   1HG   GLU  38          1HG       GLU  38  -4.077  -7.711   6.300
  310   2HG   GLU  38          2HG       GLU  38  -3.167  -9.357   6.304
  Start of MODEL    8
    1   1H    TRP   1          1H        TRP   1  -2.426  -2.028 -12.167
    2   2H    TRP   1          2H        TRP   1  -2.537  -3.570 -12.003
    3   3H    TRP   1          3H        TRP   1  -3.973  -2.883 -12.323
    4    HA   TRP   1           HA       TRP   1  -2.157  -2.547 -10.037
    5   1HB   TRP   1          1HB       TRP   1  -3.581  -0.483  -8.974
    6   2HB   TRP   1          2HB       TRP   1  -3.629  -0.357 -10.754
    7    HD1  TRP   1           HD1      TRP   1  -5.908  -1.892 -12.066
    8    HE1  TRP   1           HE1      TRP   1  -8.322  -2.198 -11.408
    9    HE3  TRP   1           HE3      TRP   1  -5.267  -0.722  -7.271
   10    HZ2  TRP   1           HZ2      TRP   1  -9.713  -2.084  -8.913
   11    HZ3  TRP   1           HZ3      TRP   1  -6.915  -1.279  -5.590
   12    HH2  TRP   1           HH2      TRP   1  -9.408  -2.063  -6.422
   13    H    LEU   2           H        LEU   2  -4.073  -4.680 -11.061
   14    HA   LEU   2           HA       LEU   2  -4.665  -5.794  -8.196
   15   1HB   LEU   2          1HB       LEU   2  -3.881  -7.275 -10.990
   16   2HB   LEU   2          2HB       LEU   2  -4.336  -8.166  -9.388
   17    HG   LEU   2           HG       LEU   2  -6.506  -7.621  -9.099
   18   1HD1  LEU   2          1HD1      LEU   2  -6.551  -5.635 -11.457
   19   2HD1  LEU   2          2HD1      LEU   2  -6.838  -5.243  -9.742
   20   3HD1  LEU   2          3HD1      LEU   2  -8.063  -6.153 -10.475
   21   1HD2  LEU   2          1HD2      LEU   2  -6.440  -8.231 -12.050
   22   2HD2  LEU   2          2HD2      LEU   2  -7.585  -8.804 -10.904
   23   3HD2  LEU   2          3HD2      LEU   2  -5.954  -9.487 -10.958
   24    H    ILE   3           H        ILE   3  -2.053  -5.777 -10.425
   25    HA   ILE   3           HA       ILE   3   0.263  -6.984  -9.087
   26    HB   ILE   3           HB       ILE   3   0.016  -7.012 -11.489
   27   1HG1  ILE   3          1HG1      ILE   3   2.484  -6.277 -12.169
   28   2HG1  ILE   3          2HG1      ILE   3   2.695  -5.851 -10.399
   29   1HG2  ILE   3          1HG2      ILE   3  -0.699  -4.706 -12.167
   30   2HG2  ILE   3          2HG2      ILE   3   0.910  -4.107 -11.666
   31   3HG2  ILE   3          3HG2      ILE   3   0.715  -5.254 -12.926
   32   1HD1  ILE   3          1HD1      ILE   3   2.952  -8.162  -9.594
   33   2HD1  ILE   3          2HD1      ILE   3   1.776  -8.706 -10.829
   34   3HD1  ILE   3          3HD1      ILE   3   3.395  -8.394 -11.387
   35    H    CYS   4           H        CYS   4  -1.101  -3.971  -8.886
   36    HA   CYS   4           HA       CYS   4   1.080  -2.965  -7.266
   37   1HB   CYS   4          2HB       CYS   4  -0.845  -0.988  -8.541
   38   2HB   CYS   4          1HB       CYS   4  -1.662  -1.483  -7.194
   39    HG   CYS   4           HG       CYS   4   0.682   0.380  -7.793
   40    H    GLU   5           H        GLU   5  -2.375  -3.252  -6.510
   41    HA   GLU   5           HA       GLU   5  -2.083  -2.886  -3.810
   42   1HB   GLU   5          2HB       GLU   5  -3.912  -4.430  -3.177
   43   2HB   GLU   5          1HB       GLU   5  -4.183  -3.066  -4.436
   44   1HG   GLU   5          1HG       GLU   5  -4.106  -5.042  -6.165
   45   2HG   GLU   5          2HG       GLU   5  -4.114  -6.271  -5.234
   46    H    GLU   6           H        GLU   6  -2.077  -6.576  -4.842
   47    HA   GLU   6           HA       GLU   6  -1.371  -7.412  -2.149
   48   1HB   GLU   6          1HB       GLU   6  -2.472  -8.840  -3.597
   49   2HB   GLU   6          2HB       GLU   6  -1.482  -9.118  -4.787
   50   1HG   GLU   6          2HG       GLU   6  -1.345 -11.020  -3.617
   51   2HG   GLU   6          1HG       GLU   6   0.129 -10.316  -2.970
   52    HA   PRO   7           HA       PRO   7   3.257  -7.665  -2.575
   53   1HB   PRO   7          1HB       PRO   7   4.671  -7.409  -4.886
   54   2HB   PRO   7          2HB       PRO   7   3.730  -8.956  -4.448
   55   1HG   PRO   7          1HG       PRO   7   2.804  -6.456  -6.186
   56   2HG   PRO   7          2HG       PRO   7   3.164  -8.132  -6.870
   57   1HD   PRO   7          1HD       PRO   7   0.484  -7.805  -5.766
   58   2HD   PRO   7          2HD       PRO   7   1.345  -9.084  -5.137
   59    H    THR   8           H        THR   8   2.677  -4.673  -5.114
   60    HA   THR   8           HA       THR   8   4.938  -3.336  -3.515
   61    HB   THR   8           HB       THR   8   3.181  -2.086  -5.532
   62    HG1  THR   8           HG1      THR   8   4.501  -4.078  -5.486
   63   1HG2  THR   8          1HG2      THR   8   4.906  -0.637  -5.899
   64   2HG2  THR   8          2HG2      THR   8   4.518  -0.356  -4.210
   65   3HG2  THR   8          3HG2      THR   8   6.056  -1.353  -4.532
   66    H    CYS   9           H        CYS   9   1.720  -3.419  -2.861
   67    HA   CYS   9           HA       CYS   9   1.679  -0.852  -1.365
   68   1HB   CYS   9          1HB       CYS   9  -0.594  -2.077  -2.582
   69   2HB   CYS   9          2HB       CYS   9  -0.826  -1.646  -1.007
   70    HG   CYS   9           HG       CYS   9  -0.546   0.770  -1.589
   71    H    ARG  10           H        ARG  10   1.547  -4.538  -0.923
   72    HA   ARG  10           HA       ARG  10   1.706  -4.679   2.190
   73   1HB   ARG  10          1HB       ARG  10   1.310  -6.634   0.415
   74   2HB   ARG  10          2HB       ARG  10   3.010  -6.821   0.332
   75   1HG   ARG  10          2HG       ARG  10   2.970  -7.211   2.971
   76   2HG   ARG  10          1HG       ARG  10   1.195  -7.271   2.530
   77   1HD   ARG  10          1HD       ARG  10   1.238  -9.070   1.201
   78   2HD   ARG  10          2HD       ARG  10   2.905  -9.045   0.712
   79    HE   ARG  10           HE       ARG  10   1.706 -10.136   3.417
   80   1HH1  ARG  10          1HH2      ARG  10   4.755  -9.058   1.695
   81   2HH1  ARG  10          2HH2      ARG  10   5.640 -10.209   2.729
   82   1HH2  ARG  10          2HH1      ARG  10   2.957 -11.229   4.386
   83   2HH2  ARG  10          1HH1      ARG  10   4.724 -11.440   4.354
   84    H    ASN  11           H        ASN  11   4.606  -4.760   0.053
   85    HA   ASN  11           HA       ASN  11   6.379  -3.735   2.153
   86   1HB   ASN  11          1HB       ASN  11   6.499  -3.702  -0.913
   87   2HB   ASN  11          2HB       ASN  11   7.836  -2.990  -0.060
   88   1HD2  ASN  11          2HD2      ASN  11   6.697  -5.992  -1.139
   89   2HD2  ASN  11          1HD2      ASN  11   7.966  -6.978  -0.199
   90    H    ARG  12           H        ARG  12   3.954  -1.931   0.525
   91    HA   ARG  12           HA       ARG  12   5.200   0.530   1.807
   92   1HB   ARG  12          2HB       ARG  12   4.026   1.933   0.449
   93   2HB   ARG  12          1HB       ARG  12   3.632   0.575  -0.475
   94   1HG   ARG  12          1HG       ARG  12   1.454   0.564   0.590
   95   2HG   ARG  12          2HG       ARG  12   1.917   1.806   1.858
   96   1HD   ARG  12          1HD       ARG  12   0.531   2.754   0.365
   97   2HD   ARG  12          2HD       ARG  12   1.958   3.571   0.183
   98    HE   ARG  12           HE       ARG  12   0.808   1.502  -2.144
   99   1HH1  ARG  12          1HH1      ARG  12   3.269   3.458  -1.431
  100   2HH1  ARG  12          2HH1      ARG  12   3.661   3.856  -3.278
  101   1HH2  ARG  12          1HH2      ARG  12   1.095   1.768  -4.073
  102   2HH2  ARG  12          2HH2      ARG  12   2.711   2.664  -4.300
  103    H    THR  13           H        THR  13   2.490  -1.868   2.627
  104    HA   THR  13           HA       THR  13   2.328  -0.736   5.240
  105    HB   THR  13           HB       THR  13   1.663  -3.560   4.474
  106    HG1  THR  13           HG1      THR  13   0.318  -2.863   3.606
  107   1HG2  THR  13          1HG2      THR  13   0.406  -2.183   6.648
  108   2HG2  THR  13          2HG2      THR  13   0.581  -3.907   6.461
  109   3HG2  THR  13          3HG2      THR  13   2.012  -3.057   7.159
  110    H    ARG  14           H        ARG  14   4.915  -1.724   4.233
  111    HA   ARG  14           HA       ARG  14   6.125  -2.409   6.830
  112   1HB   ARG  14          1HB       ARG  14   7.396  -2.823   4.251
  113   2HB   ARG  14          2HB       ARG  14   8.495  -2.587   5.544
  114   1HG   ARG  14          2HG       ARG  14   8.780  -4.730   5.755
  115   2HG   ARG  14          1HG       ARG  14   7.143  -4.691   6.642
  116   1HD   ARG  14          1HD       ARG  14   6.008  -5.095   4.204
  117   2HD   ARG  14          2HD       ARG  14   7.651  -5.407   3.589
  118    HE   ARG  14           HE       ARG  14   8.103  -7.139   5.361
  119   1HH1  ARG  14          1HH1      ARG  14   4.830  -6.491   4.644
  120   2HH1  ARG  14          2HH1      ARG  14   4.219  -8.111   5.084
  121   1HH2  ARG  14          1HH2      ARG  14   7.331  -8.853   6.155
  122   2HH2  ARG  14          2HH2      ARG  14   5.779  -9.547   5.672
  123    H    HIS  15           H        HIS  15   5.332  -0.039   4.268
  124    HA   HIS  15           HA       HIS  15   7.250   2.025   5.274
  125   1HB   HIS  15          2HB       HIS  15   4.609   2.894   3.683
  126   2HB   HIS  15          1HB       HIS  15   6.087   3.805   4.371
  127    HD1  HIS  15           HD1      HIS  15   5.744   4.274   1.616
  128    HD2  HIS  15           HD2      HIS  15   8.560   1.480   3.215
  129    HE1  HIS  15           HE1      HIS  15   7.463   3.268  -0.163
  130    HE2  HIS  15           HE2      HIS  15   9.484   2.211   0.937
  131    H    LEU  16           H        LEU  16   4.895   0.535   6.901
  132    HA   LEU  16           HA       LEU  16   3.221   2.777   7.500
  133   1HB   LEU  16          1HB       LEU  16   2.624   0.203   7.409
  134   2HB   LEU  16          2HB       LEU  16   2.962   0.029   9.014
  135    HG   LEU  16           HG       LEU  16   1.099   2.117   9.150
  136   1HD1  LEU  16          1HD2      LEU  16   0.305   1.908   6.900
  137   2HD1  LEU  16          2HD2      LEU  16  -0.091   0.006   7.185
  138   3HD1  LEU  16          3HD2      LEU  16  -0.854   1.343   8.090
  139   1HD2  LEU  16          1HD1      LEU  16  -0.429   0.316  10.145
  140   2HD2  LEU  16          2HD1      LEU  16   0.898  -0.811   9.756
  141   3HD2  LEU  16          3HD1      LEU  16   0.960   0.525  10.906
  142    HA   PRO  17           HA       PRO  17   5.862   2.088  11.959
  143   1HB   PRO  17          1HB       PRO  17   8.377   1.100  11.020
  144   2HB   PRO  17          2HB       PRO  17   7.197   0.723  12.447
  145   1HG   PRO  17          1HG       PRO  17   7.700  -0.714   9.933
  146   2HG   PRO  17          2HG       PRO  17   6.673  -1.274  11.253
  147   1HD   PRO  17          1HD       PRO  17   5.466  -0.447   8.791
  148   2HD   PRO  17          2HD       PRO  17   4.596  -0.262  10.519
  149    H    LEU  18           H        LEU  18   7.903   2.846   8.934
  150    HA   LEU  18           HA       LEU  18   9.236   5.304   9.955
  151   1HB   LEU  18          2HB       LEU  18   9.820   6.275   7.842
  152   2HB   LEU  18          1HB       LEU  18  10.507   4.594   7.877
  153    HG   LEU  18           HG       LEU  18   8.385   3.830   6.530
  154   1HD1  LEU  18          1HD1      LEU  18   8.224   6.703   5.514
  155   2HD1  LEU  18          2HD1      LEU  18   7.922   5.200   4.681
  156   3HD1  LEU  18          3HD1      LEU  18   7.057   5.842   6.084
  157   1HD2  LEU  18          1HD2      LEU  18  10.602   5.553   5.119
  158   2HD2  LEU  18          2HD2      LEU  18   9.822   4.034   4.494
  159   3HD2  LEU  18          3HD2      LEU  18  10.941   3.887   5.794
  160    H    GLN  19           H        GLN  19   6.218   4.827   8.118
  161    HA   GLN  19           HA       GLN  19   4.607   6.113   7.670
  162   1HB   GLN  19          1HB       GLN  19   4.802   5.751  10.145
  163   2HB   GLN  19          2HB       GLN  19   4.626   7.505  10.328
  164   1HG   GLN  19          2HG       GLN  19   2.472   7.629   9.753
  165   2HG   GLN  19          1HG       GLN  19   2.593   6.696   8.418
  166   1HE2  GLN  19          1HE2      GLN  19   1.692   7.032  11.665
  167   2HE2  GLN  19          2HE2      GLN  19   1.027   5.334  12.227
  168    H    PHE  20           H        PHE  20   7.108   8.272   7.142
  169    HA   PHE  20           HA       PHE  20   5.307  10.728   6.647
  170   1HB   PHE  20          2HB       PHE  20   7.127  11.727   5.921
  171   2HB   PHE  20          1HB       PHE  20   7.714  10.871   7.337
  172    HD1  PHE  20           HD1      PHE  20   9.385   9.051   7.010
  173    HD2  PHE  20           HD2      PHE  20   7.844  11.016   3.610
  174    HE1  PHE  20           HE1      PHE  20  11.461   8.539   5.735
  175    HE2  PHE  20           HE2      PHE  20   9.824  10.695   2.316
  176    HZ   PHE  20           HZ       PHE  20  11.697   9.569   3.324
  177    H    SER  21           H        SER  21   5.533   7.622   4.944
  178    HA   SER  21           HA       SER  21   4.428   9.115   2.296
  179   1HB   SER  21          2HB       SER  21   6.252   7.114   2.239
  180   2HB   SER  21          1HB       SER  21   4.985   6.096   1.889
  181    HG   SER  21           HG       SER  21   4.826   8.576   0.839
  182    H    ARG  22           H        ARG  22   2.978   8.449   4.734
  183    HA   ARG  22           HA       ARG  22   0.841   6.689   4.358
  184   1HB   ARG  22          1HB       ARG  22  -0.294   7.757   6.020
  185   2HB   ARG  22          2HB       ARG  22   1.393   7.912   6.367
  186   1HG   ARG  22          1HG       ARG  22   0.194  10.296   5.059
  187   2HG   ARG  22          2HG       ARG  22  -0.527   9.882   6.630
  188   1HD   ARG  22          1HD       ARG  22   1.676   9.506   7.513
  189   2HD   ARG  22          2HD       ARG  22   2.522  10.342   6.208
  190    HE   ARG  22           HE       ARG  22   0.483  11.911   7.434
  191   1HH1  ARG  22          1HH2      ARG  22   2.952  10.242   8.706
  192   2HH1  ARG  22          2HH2      ARG  22   3.447  11.538   9.883
  193   1HH2  ARG  22          1HH1      ARG  22   1.027  13.531   8.432
  194   2HH2  ARG  22          2HH1      ARG  22   2.022  13.424   9.958
  195    H    THR  23           H        THR  23   1.089   9.448   2.663
  196    HA   THR  23           HA       THR  23  -1.474   9.047   1.082
  197    HB   THR  23           HB       THR  23  -1.269  11.199   0.123
  198    HG1  THR  23           HG1      THR  23   0.521  11.987   1.746
  199   1HG2  THR  23          1HG2      THR  23  -1.991  12.600   1.718
  200   2HG2  THR  23          2HG2      THR  23  -2.703  11.039   1.940
  201   3HG2  THR  23          3HG2      THR  23  -1.327  11.650   3.029
  202    H    GLY  24           H        GLY  24   2.022   9.831   0.292
  203   1HA   GLY  24          1HA       GLY  24   3.420   8.994  -1.440
  204   2HA   GLY  24          2HA       GLY  24   2.643   7.451  -1.275
  205    HA   PRO  25           HA       PRO  25   0.444   9.987  -4.843
  206   1HB   PRO  25          1HB       PRO  25   1.772  11.892  -6.252
  207   2HB   PRO  25          2HB       PRO  25   0.837  12.104  -4.752
  208   1HG   PRO  25          1HG       PRO  25   3.953  12.012  -5.068
  209   2HG   PRO  25          2HG       PRO  25   2.982  12.898  -3.785
  210   1HD   PRO  25          1HD       PRO  25   4.221  10.221  -3.380
  211   2HD   PRO  25          2HD       PRO  25   3.254  11.118  -2.271
  212    H    LEU  26           H        LEU  26   1.035   8.000  -5.420
  213    HA   LEU  26           HA       LEU  26   2.452   7.219  -7.898
  214   1HB   LEU  26          2HB       LEU  26   2.497   5.528  -5.441
  215   2HB   LEU  26          1HB       LEU  26   3.205   5.065  -7.120
  216    HG   LEU  26           HG       LEU  26   4.439   7.450  -6.850
  217   1HD1  LEU  26          1HD2      LEU  26   3.816   7.521  -4.178
  218   2HD1  LEU  26          2HD2      LEU  26   5.376   8.210  -4.833
  219   3HD1  LEU  26          3HD2      LEU  26   5.068   6.452  -3.979
  220   1HD2  LEU  26          1HD1      LEU  26   6.822   6.306  -6.574
  221   2HD2  LEU  26          2HD1      LEU  26   5.800   6.004  -7.720
  222   3HD2  LEU  26          3HD1      LEU  26   5.964   4.972  -6.176
  223    H    CYS  27           H        CYS  27   0.302   5.335  -5.686
  224    HA   CYS  27           HA       CYS  27  -1.822   5.520  -7.826
  225   1HB   CYS  27          1HB       CYS  27  -2.433   3.216  -7.071
  226   2HB   CYS  27          2HB       CYS  27  -0.842   3.152  -7.360
  227    HG   CYS  27           HG       CYS  27  -0.422   3.872  -4.462
  228    HA   PRO  28           HA       PRO  28  -4.974   6.999  -5.203
  229   1HB   PRO  28          1HB       PRO  28  -7.368   5.796  -6.066
  230   2HB   PRO  28          2HB       PRO  28  -6.702   7.332  -6.548
  231   1HG   PRO  28          1HG       PRO  28  -6.520   4.754  -7.632
  232   2HG   PRO  28          2HG       PRO  28  -6.574   6.119  -8.649
  233   1HD   PRO  28          1HD       PRO  28  -4.038   4.740  -8.195
  234   2HD   PRO  28          2HD       PRO  28  -4.160   6.542  -8.314
  235    H    ALA  29           H        ALA  29  -4.461   6.012  -3.082
  236    HA   ALA  29           HA       ALA  29  -4.637   4.354  -1.046
  237   1HB   ALA  29          1HB       ALA  29  -7.007   5.899  -1.708
  238   2HB   ALA  29          2HB       ALA  29  -6.809   4.755  -0.116
  239   3HB   ALA  29          3HB       ALA  29  -5.598   5.770  -0.558
  240    H    CYS  30           H        CYS  30  -3.967   2.929  -2.502
  241    HA   CYS  30           HA       CYS  30  -5.467   0.353  -3.351
  242   1HB   CYS  30          1HB       CYS  30  -3.659   1.946  -4.829
  243   2HB   CYS  30          2HB       CYS  30  -2.508   1.133  -3.608
  244    HG   CYS  30           HG       CYS  30  -2.858   0.078  -6.184
  245    H    MET  31           H        MET  31  -3.807   1.811  -0.585
  246    HA   MET  31           HA       MET  31  -2.406  -0.767   0.381
  247   1HB   MET  31          2HB       MET  31  -1.838   1.831   0.754
  248   2HB   MET  31          1HB       MET  31  -3.338   1.955   1.623
  249   1HG   MET  31          2HG       MET  31  -0.634   0.361   2.388
  250   2HG   MET  31          1HG       MET  31  -1.396   1.701   3.033
  251   1HE   MET  31          1HE       MET  31  -4.040   1.192   5.155
  252   2HE   MET  31          2HE       MET  31  -2.525   0.417   5.960
  253   3HE   MET  31          3HE       MET  31  -2.513   1.850   4.783
  254    H    LYS  32           H        LYS  32  -5.652   1.216   0.892
  255    HA   LYS  32           HA       LYS  32  -6.399  -1.017   2.837
  256   1HB   LYS  32          1HB       LYS  32  -8.717  -0.179   2.852
  257   2HB   LYS  32          2HB       LYS  32  -7.527   1.126   3.214
  258   1HG   LYS  32          1HG       LYS  32  -7.832   1.210   0.289
  259   2HG   LYS  32          2HG       LYS  32  -9.499   0.578   0.841
  260   1HD   LYS  32          2HD       LYS  32  -9.874   2.712   2.324
  261   2HD   LYS  32          1HD       LYS  32  -8.291   3.288   1.703
  262   1HE   LYS  32          1HE       LYS  32  -9.131   3.015  -0.656
  263   2HE   LYS  32          2HE       LYS  32 -10.701   2.306  -0.014
  264   1HZ   LYS  32          1HZ       LYS  32 -11.093   4.735  -0.375
  265   2HZ   LYS  32          2HZ       LYS  32 -11.005   4.267   1.231
  266   3HZ   LYS  32          3HZ       LYS  32  -9.723   5.201   0.408
  267    H    ALA  33           H        ALA  33  -6.877  -0.938  -0.721
  268    HA   ALA  33           HA       ALA  33  -8.337  -3.354  -0.691
  269   1HB   ALA  33          1HB       ALA  33  -8.028  -1.676  -2.608
  270   2HB   ALA  33          2HB       ALA  33  -6.535  -2.412  -3.139
  271   3HB   ALA  33          3HB       ALA  33  -7.757  -3.513  -3.115
  272    H    THR  34           H        THR  34  -4.611  -3.220  -0.916
  273    HA   THR  34           HA       THR  34  -3.923  -5.948  -0.671
  274    HB   THR  34           HB       THR  34  -2.703  -3.763   1.343
  275    HG1  THR  34           HG1      THR  34  -2.615  -3.015  -0.812
  276   1HG2  THR  34          1HG2      THR  34  -1.788  -6.284  -0.193
  277   2HG2  THR  34          2HG2      THR  34  -0.782  -5.142   1.114
  278   3HG2  THR  34          3HG2      THR  34  -2.110  -6.296   1.695
  279    H    LEU  35           H        LEU  35  -5.506  -4.131   1.806
  280    HA   LEU  35           HA       LEU  35  -5.527  -6.297   3.895
  281   1HB   LEU  35          2HB       LEU  35  -7.155  -3.826   3.851
  282   2HB   LEU  35          1HB       LEU  35  -7.239  -5.093   5.161
  283    HG   LEU  35           HG       LEU  35  -4.520  -4.606   5.129
  284   1HD1  LEU  35          1HD1      LEU  35  -5.739  -1.980   4.688
  285   2HD1  LEU  35          2HD1      LEU  35  -4.460  -2.644   3.481
  286   3HD1  LEU  35          3HD1      LEU  35  -3.973  -2.359   5.315
  287   1HD2  LEU  35          1HD2      LEU  35  -6.259  -5.092   6.938
  288   2HD2  LEU  35          2HD2      LEU  35  -5.007  -4.068   7.557
  289   3HD2  LEU  35          3HD2      LEU  35  -6.384  -3.246   7.148
  290    H    GLN  36           H        GLN  36  -8.045  -5.751   1.360
  291    HA   GLN  36           HA       GLN  36  -9.842  -7.513   2.779
  292   1HB   GLN  36          1HB       GLN  36  -9.772  -7.277  -0.180
  293   2HB   GLN  36          2HB       GLN  36 -11.167  -7.809   0.665
  294   1HG   GLN  36          1HG       GLN  36 -11.345  -5.485   1.793
  295   2HG   GLN  36          2HG       GLN  36 -10.033  -4.969   1.007
  296   1HE2  GLN  36          2HE2      GLN  36 -13.302  -5.799   0.013
  297   2HE2  GLN  36          1HE2      GLN  36 -12.917  -5.405  -1.722
  298    HA   PRO  37           HA       PRO  37  -7.693 -11.249   0.491
  299   1HB   PRO  37          1HB       PRO  37  -5.043 -10.373  -0.408
  300   2HB   PRO  37          2HB       PRO  37  -6.208 -11.213  -1.466
  301   1HG   PRO  37          1HG       PRO  37  -5.487  -8.256  -1.185
  302   2HG   PRO  37          2HG       PRO  37  -6.772  -8.856  -2.385
  303   1HD   PRO  37          1HD       PRO  37  -7.174  -7.418  -0.089
  304   2HD   PRO  37          2HD       PRO  37  -8.403  -8.168  -1.172
  305    H    GLU  38           H        GLU  38  -5.763  -8.727   2.438
  306    HA   GLU  38           HA       GLU  38  -5.131 -11.324   4.080
  307   1HB   GLU  38          1HB       GLU  38  -3.230 -10.526   4.825
  308   2HB   GLU  38          2HB       GLU  38  -3.141  -9.494   3.674
  309   1HG   GLU  38          1HG       GLU  38  -4.375  -7.700   5.449
  310   2HG   GLU  38          2HG       GLU  38  -3.757  -8.917   6.528
  Start of MODEL    9
    1   1H    TRP   1          1H        TRP   1  -2.762  -1.932 -12.501
    2   2H    TRP   1          2H        TRP   1  -2.657  -3.599 -11.815
    3   3H    TRP   1          3H        TRP   1  -4.024  -2.703 -12.077
    4    HA   TRP   1           HA       TRP   1  -2.139  -2.128 -10.167
    5   1HB   TRP   1          1HB       TRP   1  -3.592  -0.483  -8.910
    6   2HB   TRP   1          2HB       TRP   1  -3.705  -0.173 -10.625
    7    HD1  TRP   1           HD1      TRP   1  -5.800  -1.612 -11.912
    8    HE1  TRP   1           HE1      TRP   1  -8.218  -2.100 -11.395
    9    HE3  TRP   1           HE3      TRP   1  -5.538  -0.354  -7.038
   10    HZ2  TRP   1           HZ2      TRP   1  -9.851  -1.882  -8.854
   11    HZ3  TRP   1           HZ3      TRP   1  -7.145  -1.098  -5.600
   12    HH2  TRP   1           HH2      TRP   1  -9.460  -1.919  -6.421
   13    H    LEU   2           H        LEU   2  -4.213  -4.487 -11.004
   14    HA   LEU   2           HA       LEU   2  -4.469  -5.868  -8.240
   15   1HB   LEU   2          1HB       LEU   2  -4.225  -7.293 -11.076
   16   2HB   LEU   2          2HB       LEU   2  -4.225  -8.101  -9.389
   17    HG   LEU   2           HG       LEU   2  -6.470  -7.435  -9.062
   18   1HD1  LEU   2          1HD1      LEU   2  -6.290  -5.419 -11.317
   19   2HD1  LEU   2          2HD1      LEU   2  -7.053  -5.461  -9.666
   20   3HD1  LEU   2          3HD1      LEU   2  -7.769  -6.360 -11.071
   21   1HD2  LEU   2          1HD2      LEU   2  -6.637  -8.227 -11.955
   22   2HD2  LEU   2          2HD2      LEU   2  -7.600  -8.737 -10.592
   23   3HD2  LEU   2          3HD2      LEU   2  -5.850  -9.232 -10.767
   24    H    ILE   3           H        ILE   3  -2.059  -5.636 -10.396
   25    HA   ILE   3           HA       ILE   3   0.339  -6.975  -9.017
   26    HB   ILE   3           HB       ILE   3   0.136  -7.150 -11.512
   27   1HG1  ILE   3          1HG1      ILE   3   2.576  -6.328 -11.994
   28   2HG1  ILE   3          2HG1      ILE   3   2.629  -5.933 -10.147
   29   1HG2  ILE   3          1HG2      ILE   3  -0.764  -4.918 -11.996
   30   2HG2  ILE   3          2HG2      ILE   3   0.971  -4.068 -11.566
   31   3HG2  ILE   3          3HG2      ILE   3   0.653  -5.366 -12.946
   32   1HD1  ILE   3          1HD1      ILE   3   2.918  -7.872  -9.660
   33   2HD1  ILE   3          2HD1      ILE   3   1.901  -8.864 -10.717
   34   3HD1  ILE   3          3HD1      ILE   3   3.580  -8.147 -11.287
   35    H    CYS   4           H        CYS   4  -1.107  -4.002  -9.044
   36    HA   CYS   4           HA       CYS   4   1.031  -2.437  -7.446
   37   1HB   CYS   4          2HB       CYS   4  -0.862  -1.249  -8.742
   38   2HB   CYS   4          1HB       CYS   4  -1.800  -1.532  -7.330
   39    HG   CYS   4           HG       CYS   4   0.681   0.473  -7.700
   40    H    GLU   5           H        GLU   5  -2.332  -3.276  -6.562
   41    HA   GLU   5           HA       GLU   5  -2.148  -3.283  -3.648
   42   1HB   GLU   5          2HB       GLU   5  -4.297  -4.562  -3.248
   43   2HB   GLU   5          1HB       GLU   5  -4.264  -3.210  -4.284
   44   1HG   GLU   5          1HG       GLU   5  -4.271  -4.670  -6.237
   45   2HG   GLU   5          2HG       GLU   5  -4.176  -6.106  -5.097
   46    H    GLU   6           H        GLU   6  -1.820  -6.346  -5.025
   47    HA   GLU   6           HA       GLU   6  -1.393  -7.361  -2.215
   48   1HB   GLU   6          1HB       GLU   6  -2.545  -8.835  -3.598
   49   2HB   GLU   6          2HB       GLU   6  -0.984  -9.030  -4.738
   50   1HG   GLU   6          2HG       GLU   6  -1.398 -11.027  -3.559
   51   2HG   GLU   6          1HG       GLU   6   0.115 -10.318  -3.046
   52    HA   PRO   7           HA       PRO   7   3.244  -7.731  -2.596
   53   1HB   PRO   7          1HB       PRO   7   4.749  -7.499  -4.688
   54   2HB   PRO   7          2HB       PRO   7   3.703  -8.892  -4.334
   55   1HG   PRO   7          1HG       PRO   7   2.725  -6.424  -6.160
   56   2HG   PRO   7          2HG       PRO   7   3.088  -8.157  -6.763
   57   1HD   PRO   7          1HD       PRO   7   0.554  -7.702  -5.794
   58   2HD   PRO   7          2HD       PRO   7   1.537  -9.104  -5.058
   59    H    THR   8           H        THR   8   2.729  -4.738  -4.961
   60    HA   THR   8           HA       THR   8   4.842  -3.599  -3.432
   61    HB   THR   8           HB       THR   8   3.138  -2.107  -5.537
   62    HG1  THR   8           HG1      THR   8   4.287  -4.131  -5.858
   63   1HG2  THR   8          1HG2      THR   8   5.477  -0.958  -6.041
   64   2HG2  THR   8          2HG2      THR   8   4.258  -0.320  -4.684
   65   3HG2  THR   8          3HG2      THR   8   5.948  -1.291  -4.387
   66    H    CYS   9           H        CYS   9   1.775  -3.386  -2.984
   67    HA   CYS   9           HA       CYS   9   1.696  -1.088  -0.982
   68   1HB   CYS   9          1HB       CYS   9  -0.731  -2.378  -2.499
   69   2HB   CYS   9          2HB       CYS   9  -0.888  -1.226  -1.012
   70    HG   CYS   9           HG       CYS   9  -0.987   0.711  -1.814
   71    H    ARG  10           H        ARG  10   1.764  -4.389  -1.061
   72    HA   ARG  10           HA       ARG  10   1.518  -4.554   1.937
   73   1HB   ARG  10          1HB       ARG  10   1.216  -6.476   0.563
   74   2HB   ARG  10          2HB       ARG  10   3.002  -6.521   0.280
   75   1HG   ARG  10          2HG       ARG  10   3.090  -7.373   2.949
   76   2HG   ARG  10          1HG       ARG  10   1.310  -7.250   2.812
   77   1HD   ARG  10          1HD       ARG  10   1.116  -9.151   1.280
   78   2HD   ARG  10          2HD       ARG  10   2.783  -8.934   0.799
   79    HE   ARG  10           HE       ARG  10   1.768 -10.351   3.220
   80   1HH1  ARG  10          1HH2      ARG  10   4.560  -9.386   1.529
   81   2HH1  ARG  10          2HH2      ARG  10   5.765 -10.197   2.592
   82   1HH2  ARG  10          2HH1      ARG  10   3.203 -11.303   4.606
   83   2HH2  ARG  10          1HH1      ARG  10   4.891 -11.173   4.246
   84    H    ASN  11           H        ASN  11   4.406  -4.497  -0.092
   85    HA   ASN  11           HA       ASN  11   6.431  -3.970   2.111
   86   1HB   ASN  11          1HB       ASN  11   6.508  -3.507  -0.889
   87   2HB   ASN  11          2HB       ASN  11   7.741  -2.663   0.209
   88   1HD2  ASN  11          2HD2      ASN  11   6.499  -6.074  -1.066
   89   2HD2  ASN  11          1HD2      ASN  11   7.784  -7.035  -0.114
   90    H    ARG  12           H        ARG  12   4.185  -1.953   0.395
   91    HA   ARG  12           HA       ARG  12   4.993   0.576   1.921
   92   1HB   ARG  12          2HB       ARG  12   4.297   1.773   0.602
   93   2HB   ARG  12          1HB       ARG  12   3.713   0.573  -0.501
   94   1HG   ARG  12          1HG       ARG  12   1.580   0.441   0.811
   95   2HG   ARG  12          2HG       ARG  12   1.939   1.615   1.886
   96   1HD   ARG  12          1HD       ARG  12   0.483   2.751   0.165
   97   2HD   ARG  12          2HD       ARG  12   2.228   3.404  -0.173
   98    HE   ARG  12           HE       ARG  12   0.530   1.584  -1.874
   99   1HH1  ARG  12          1HH1      ARG  12   3.467   3.717  -1.396
  100   2HH1  ARG  12          2HH1      ARG  12   3.585   3.904  -3.206
  101   1HH2  ARG  12          1HH2      ARG  12   1.032   1.875  -3.979
  102   2HH2  ARG  12          2HH2      ARG  12   2.594   2.477  -4.603
  103    H    THR  13           H        THR  13   2.860  -1.787   2.440
  104    HA   THR  13           HA       THR  13   2.191  -0.671   5.073
  105    HB   THR  13           HB       THR  13   1.608  -3.552   4.352
  106    HG1  THR  13           HG1      THR  13   0.091  -2.526   3.384
  107   1HG2  THR  13          1HG2      THR  13   0.608  -2.004   6.985
  108   2HG2  THR  13          2HG2      THR  13   0.414  -3.644   6.504
  109   3HG2  THR  13          3HG2      THR  13   1.929  -3.064   7.210
  110    H    ARG  14           H        ARG  14   4.991  -1.997   4.083
  111    HA   ARG  14           HA       ARG  14   6.225  -2.394   6.963
  112   1HB   ARG  14          1HB       ARG  14   7.828  -2.974   4.234
  113   2HB   ARG  14          2HB       ARG  14   8.510  -2.546   5.686
  114   1HG   ARG  14          2HG       ARG  14   8.720  -4.762   5.890
  115   2HG   ARG  14          1HG       ARG  14   7.213  -4.890   6.744
  116   1HD   ARG  14          1HD       ARG  14   6.110  -5.265   4.227
  117   2HD   ARG  14          2HD       ARG  14   7.688  -5.255   3.625
  118    HE   ARG  14           HE       ARG  14   8.074  -7.329   5.166
  119   1HH1  ARG  14          1HH1      ARG  14   4.663  -6.608   4.682
  120   2HH1  ARG  14          2HH1      ARG  14   4.325  -8.322   5.224
  121   1HH2  ARG  14          1HH2      ARG  14   7.513  -9.114   6.081
  122   2HH2  ARG  14          2HH2      ARG  14   5.891  -9.700   5.613
  123    H    HIS  15           H        HIS  15   5.146   0.006   4.760
  124    HA   HIS  15           HA       HIS  15   7.346   2.180   5.304
  125   1HB   HIS  15          2HB       HIS  15   4.724   2.792   3.728
  126   2HB   HIS  15          1HB       HIS  15   5.815   3.772   4.404
  127    HD1  HIS  15           HD1      HIS  15   5.794   3.991   1.101
  128    HD2  HIS  15           HD2      HIS  15   8.285   1.408   3.569
  129    HE1  HIS  15           HE1      HIS  15   7.657   3.326  -0.163
  130    HE2  HIS  15           HE2      HIS  15   9.687   2.280   1.329
  131    H    LEU  16           H        LEU  16   5.035   0.561   7.007
  132    HA   LEU  16           HA       LEU  16   3.142   2.811   7.989
  133   1HB   LEU  16          1HB       LEU  16   2.445   0.346   7.335
  134   2HB   LEU  16          2HB       LEU  16   3.171  -0.042   8.825
  135    HG   LEU  16           HG       LEU  16   1.201   2.279   9.116
  136   1HD1  LEU  16          1HD2      LEU  16   0.505   1.661   6.774
  137   2HD1  LEU  16          2HD2      LEU  16   0.048   0.102   7.110
  138   3HD1  LEU  16          3HD2      LEU  16  -1.062   1.475   7.945
  139   1HD2  LEU  16          1HD1      LEU  16  -0.402   0.480   9.891
  140   2HD2  LEU  16          2HD1      LEU  16   0.919  -0.833   9.831
  141   3HD2  LEU  16          3HD1      LEU  16   1.224   0.711  10.881
  142    HA   PRO  17           HA       PRO  17   5.538   2.396  11.694
  143   1HB   PRO  17          1HB       PRO  17   8.451   1.117  11.537
  144   2HB   PRO  17          2HB       PRO  17   7.091   0.530  12.466
  145   1HG   PRO  17          1HG       PRO  17   7.503  -0.589   9.691
  146   2HG   PRO  17          2HG       PRO  17   6.838  -1.255  11.333
  147   1HD   PRO  17          1HD       PRO  17   5.521  -0.375   8.751
  148   2HD   PRO  17          2HD       PRO  17   4.547  -0.542  10.447
  149    H    LEU  18           H        LEU  18   7.547   3.090   8.857
  150    HA   LEU  18           HA       LEU  18   9.322   5.201   9.811
  151   1HB   LEU  18          2HB       LEU  18   9.925   6.287   7.714
  152   2HB   LEU  18          1HB       LEU  18  10.430   4.602   8.059
  153    HG   LEU  18           HG       LEU  18   8.414   3.939   6.508
  154   1HD1  LEU  18          1HD1      LEU  18   8.613   6.617   5.369
  155   2HD1  LEU  18          2HD1      LEU  18   7.730   5.359   4.663
  156   3HD1  LEU  18          3HD1      LEU  18   6.995   5.823   5.953
  157   1HD2  LEU  18          1HD2      LEU  18  10.726   5.380   5.070
  158   2HD2  LEU  18          2HD2      LEU  18   9.792   4.057   4.510
  159   3HD2  LEU  18          3HD2      LEU  18  10.894   3.865   5.860
  160    H    GLN  19           H        GLN  19   6.286   4.842   8.326
  161    HA   GLN  19           HA       GLN  19   4.609   6.334   7.476
  162   1HB   GLN  19          1HB       GLN  19   4.572   5.777  10.249
  163   2HB   GLN  19          2HB       GLN  19   4.763   7.423  10.467
  164   1HG   GLN  19          2HG       GLN  19   2.608   7.810   9.703
  165   2HG   GLN  19          1HG       GLN  19   2.604   6.471   8.479
  166   1HE2  GLN  19          1HE2      GLN  19   1.542   7.032  11.463
  167   2HE2  GLN  19          2HE2      GLN  19   1.011   5.135  11.927
  168    H    PHE  20           H        PHE  20   6.764   7.918   7.039
  169    HA   PHE  20           HA       PHE  20   5.392  10.508   6.704
  170   1HB   PHE  20          2HB       PHE  20   7.185  11.808   6.042
  171   2HB   PHE  20          1HB       PHE  20   7.615  10.680   7.294
  172    HD1  PHE  20           HD1      PHE  20   9.546   9.061   7.015
  173    HD2  PHE  20           HD2      PHE  20   7.767  11.142   3.774
  174    HE1  PHE  20           HE1      PHE  20  11.433   8.754   5.856
  175    HE2  PHE  20           HE2      PHE  20  10.023  10.632   2.306
  176    HZ   PHE  20           HZ       PHE  20  11.824   9.726   3.357
  177    H    SER  21           H        SER  21   5.295   7.719   4.966
  178    HA   SER  21           HA       SER  21   4.116   9.144   2.300
  179   1HB   SER  21          2HB       SER  21   6.335   7.104   2.145
  180   2HB   SER  21          1HB       SER  21   4.900   6.237   1.899
  181    HG   SER  21           HG       SER  21   5.248   8.574   0.725
  182    H    ARG  22           H        ARG  22   3.053   8.450   4.625
  183    HA   ARG  22           HA       ARG  22   0.818   6.796   4.330
  184   1HB   ARG  22          1HB       ARG  22  -0.467   7.980   5.941
  185   2HB   ARG  22          2HB       ARG  22   1.226   7.747   6.271
  186   1HG   ARG  22          1HG       ARG  22   0.314  10.571   5.074
  187   2HG   ARG  22          2HG       ARG  22  -0.635  10.011   6.428
  188   1HD   ARG  22          1HD       ARG  22   1.674   9.422   7.601
  189   2HD   ARG  22          2HD       ARG  22   2.581  10.227   6.255
  190    HE   ARG  22           HE       ARG  22   0.614  12.158   7.081
  191   1HH1  ARG  22          1HH2      ARG  22   3.167  10.294   8.912
  192   2HH1  ARG  22          2HH2      ARG  22   3.106  11.416  10.188
  193   1HH2  ARG  22          1HH1      ARG  22   0.882  13.672   8.846
  194   2HH2  ARG  22          2HH1      ARG  22   2.085  13.104  10.097
  195    H    THR  23           H        THR  23   1.151   9.301   2.596
  196    HA   THR  23           HA       THR  23  -1.669   8.939   1.050
  197    HB   THR  23           HB       THR  23  -1.402  10.999   0.015
  198    HG1  THR  23           HG1      THR  23   0.498  12.159   1.674
  199   1HG2  THR  23          1HG2      THR  23  -2.039  12.575   1.811
  200   2HG2  THR  23          2HG2      THR  23  -2.712  10.998   2.134
  201   3HG2  THR  23          3HG2      THR  23  -1.412  11.494   3.030
  202    H    GLY  24           H        GLY  24   1.835   9.861   0.316
  203   1HA   GLY  24          1HA       GLY  24   3.473   9.074  -1.225
  204   2HA   GLY  24          2HA       GLY  24   2.354   7.562  -0.978
  205    HA   PRO  25           HA       PRO  25   0.449   9.834  -4.977
  206   1HB   PRO  25          1HB       PRO  25   1.973  12.009  -6.111
  207   2HB   PRO  25          2HB       PRO  25   0.836  12.181  -4.664
  208   1HG   PRO  25          1HG       PRO  25   3.890  11.919  -5.182
  209   2HG   PRO  25          2HG       PRO  25   3.060  12.791  -3.754
  210   1HD   PRO  25          1HD       PRO  25   4.211  10.246  -3.798
  211   2HD   PRO  25          2HD       PRO  25   3.467  11.023  -2.317
  212    H    LEU  26           H        LEU  26   0.959   8.021  -5.502
  213    HA   LEU  26           HA       LEU  26   2.274   7.258  -8.128
  214   1HB   LEU  26          2HB       LEU  26   2.861   5.579  -5.523
  215   2HB   LEU  26          1HB       LEU  26   2.972   4.958  -7.017
  216    HG   LEU  26           HG       LEU  26   4.635   7.528  -6.934
  217   1HD1  LEU  26          1HD2      LEU  26   3.726   7.600  -4.505
  218   2HD1  LEU  26          2HD2      LEU  26   5.221   8.295  -4.928
  219   3HD1  LEU  26          3HD2      LEU  26   5.460   6.738  -4.040
  220   1HD2  LEU  26          1HD1      LEU  26   6.615   6.585  -6.176
  221   2HD2  LEU  26          2HD1      LEU  26   5.885   5.661  -7.686
  222   3HD2  LEU  26          3HD1      LEU  26   5.954   4.805  -6.242
  223    H    CYS  27           H        CYS  27   0.163   5.491  -5.632
  224    HA   CYS  27           HA       CYS  27  -1.905   5.274  -7.811
  225   1HB   CYS  27          1HB       CYS  27  -2.519   3.102  -7.125
  226   2HB   CYS  27          2HB       CYS  27  -0.718   3.435  -7.412
  227    HG   CYS  27           HG       CYS  27  -0.330   3.967  -4.371
  228    HA   PRO  28           HA       PRO  28  -4.832   6.887  -4.948
  229   1HB   PRO  28          1HB       PRO  28  -7.297   5.739  -6.173
  230   2HB   PRO  28          2HB       PRO  28  -6.612   7.379  -6.508
  231   1HG   PRO  28          1HG       PRO  28  -6.324   4.507  -7.898
  232   2HG   PRO  28          2HG       PRO  28  -6.389   6.241  -8.650
  233   1HD   PRO  28          1HD       PRO  28  -4.267   4.762  -8.462
  234   2HD   PRO  28          2HD       PRO  28  -3.937   6.494  -8.117
  235    H    ALA  29           H        ALA  29  -4.154   5.670  -3.118
  236    HA   ALA  29           HA       ALA  29  -4.443   4.131  -1.162
  237   1HB   ALA  29          1HB       ALA  29  -7.082   5.885  -1.440
  238   2HB   ALA  29          2HB       ALA  29  -6.991   4.824  -0.101
  239   3HB   ALA  29          3HB       ALA  29  -5.890   5.987  -0.640
  240    H    CYS  30           H        CYS  30  -3.916   3.015  -3.074
  241    HA   CYS  30           HA       CYS  30  -5.546   0.543  -3.528
  242   1HB   CYS  30          1HB       CYS  30  -3.700   1.800  -4.935
  243   2HB   CYS  30          2HB       CYS  30  -2.444   1.376  -3.644
  244    HG   CYS  30           HG       CYS  30  -2.522   0.035  -6.019
  245    H    MET  31           H        MET  31  -3.844   1.790  -0.664
  246    HA   MET  31           HA       MET  31  -2.390  -0.698   0.198
  247   1HB   MET  31          2HB       MET  31  -1.731   1.832   0.708
  248   2HB   MET  31          1HB       MET  31  -3.114   1.883   1.895
  249   1HG   MET  31          2HG       MET  31  -0.657   0.353   2.271
  250   2HG   MET  31          1HG       MET  31  -1.277   1.781   3.068
  251   1HE   MET  31          1HE       MET  31  -4.107   1.171   4.870
  252   2HE   MET  31          2HE       MET  31  -2.981   0.550   5.939
  253   3HE   MET  31          3HE       MET  31  -2.239   1.780   5.134
  254    H    LYS  32           H        LYS  32  -5.682   1.173   1.045
  255    HA   LYS  32           HA       LYS  32  -6.440  -0.838   2.923
  256   1HB   LYS  32          1HB       LYS  32  -8.703  -0.022   2.982
  257   2HB   LYS  32          2HB       LYS  32  -7.629   1.375   3.062
  258   1HG   LYS  32          1HG       LYS  32  -7.917   1.375   0.284
  259   2HG   LYS  32          2HG       LYS  32  -9.354   0.459   0.664
  260   1HD   LYS  32          2HD       LYS  32  -9.679   2.580   2.418
  261   2HD   LYS  32          1HD       LYS  32  -8.226   3.259   1.589
  262   1HE   LYS  32          1HE       LYS  32  -9.310   3.217  -0.753
  263   2HE   LYS  32          2HE       LYS  32 -10.745   2.494  -0.183
  264   1HZ   LYS  32          1HZ       LYS  32 -10.986   4.809  -0.297
  265   2HZ   LYS  32          2HZ       LYS  32 -11.112   4.113   1.154
  266   3HZ   LYS  32          3HZ       LYS  32  -9.956   5.034   1.151
  267    H    ALA  33           H        ALA  33  -6.923  -0.967  -0.742
  268    HA   ALA  33           HA       ALA  33  -8.220  -3.390  -0.748
  269   1HB   ALA  33          1HB       ALA  33  -7.992  -1.907  -2.670
  270   2HB   ALA  33          2HB       ALA  33  -6.237  -2.495  -2.929
  271   3HB   ALA  33          3HB       ALA  33  -7.849  -3.469  -3.181
  272    H    THR  34           H        THR  34  -4.673  -3.102  -0.614
  273    HA   THR  34           HA       THR  34  -3.989  -5.973  -0.609
  274    HB   THR  34           HB       THR  34  -2.773  -3.959   1.390
  275    HG1  THR  34           HG1      THR  34  -3.097  -3.540  -0.931
  276   1HG2  THR  34          1HG2      THR  34  -1.610  -6.568   0.181
  277   2HG2  THR  34          2HG2      THR  34  -0.629  -5.354   0.804
  278   3HG2  THR  34          3HG2      THR  34  -1.838  -6.246   1.808
  279    H    LEU  35           H        LEU  35  -5.889  -4.471   1.823
  280    HA   LEU  35           HA       LEU  35  -5.320  -6.157   4.070
  281   1HB   LEU  35          2HB       LEU  35  -6.946  -3.656   3.846
  282   2HB   LEU  35          1HB       LEU  35  -7.508  -4.900   4.979
  283    HG   LEU  35           HG       LEU  35  -4.525  -4.647   5.374
  284   1HD1  LEU  35          1HD1      LEU  35  -5.363  -1.685   4.723
  285   2HD1  LEU  35          2HD1      LEU  35  -4.670  -2.998   3.514
  286   3HD1  LEU  35          3HD1      LEU  35  -3.669  -2.373   5.012
  287   1HD2  LEU  35          1HD2      LEU  35  -6.292  -4.804   7.295
  288   2HD2  LEU  35          2HD2      LEU  35  -4.864  -3.828   7.520
  289   3HD2  LEU  35          3HD2      LEU  35  -6.558  -3.165   7.067
  290    H    GLN  36           H        GLN  36  -8.258  -5.721   1.455
  291    HA   GLN  36           HA       GLN  36  -9.846  -7.498   2.852
  292   1HB   GLN  36          1HB       GLN  36 -10.107  -7.324  -0.325
  293   2HB   GLN  36          2HB       GLN  36 -11.354  -7.819   0.872
  294   1HG   GLN  36          1HG       GLN  36 -11.680  -5.739   1.658
  295   2HG   GLN  36          2HG       GLN  36 -10.032  -5.026   1.264
  296   1HE2  GLN  36          2HE2      GLN  36 -13.291  -5.963  -0.020
  297   2HE2  GLN  36          1HE2      GLN  36 -13.230  -5.066  -1.568
  298    HA   PRO  37           HA       PRO  37  -7.622 -11.288   0.273
  299   1HB   PRO  37          1HB       PRO  37  -4.984 -10.387  -0.777
  300   2HB   PRO  37          2HB       PRO  37  -6.570 -11.015  -1.630
  301   1HG   PRO  37          1HG       PRO  37  -5.564  -8.240  -1.130
  302   2HG   PRO  37          2HG       PRO  37  -6.654  -8.922  -2.488
  303   1HD   PRO  37          1HD       PRO  37  -7.163  -7.426  -0.126
  304   2HD   PRO  37          2HD       PRO  37  -8.421  -8.076  -1.204
  305    H    GLU  38           H        GLU  38  -5.689  -8.942   2.087
  306    HA   GLU  38           HA       GLU  38  -5.003 -11.240   3.963
  307   1HB   GLU  38          1HB       GLU  38  -3.469 -10.491   5.132
  308   2HB   GLU  38          2HB       GLU  38  -3.115  -9.530   3.437
  309   1HG   GLU  38          1HG       GLU  38  -4.431  -7.854   5.350
  310   2HG   GLU  38          2HG       GLU  38  -3.744  -8.832   6.417
  Start of MODEL   10
    1   1H    TRP   1          1H        TRP   1  -2.834  -1.615 -12.165
    2   2H    TRP   1          2H        TRP   1  -2.551  -3.219 -11.719
    3   3H    TRP   1          3H        TRP   1  -4.067  -2.713 -12.355
    4    HA   TRP   1           HA       TRP   1  -2.273  -2.038 -10.100
    5   1HB   TRP   1          1HB       TRP   1  -3.878  -0.608  -8.843
    6   2HB   TRP   1          2HB       TRP   1  -3.616  -0.011 -10.508
    7    HD1  TRP   1           HD1      TRP   1  -5.926  -1.896 -11.948
    8    HE1  TRP   1           HE1      TRP   1  -8.515  -1.902 -11.210
    9    HE3  TRP   1           HE3      TRP   1  -5.466  -0.739  -6.754
   10    HZ2  TRP   1           HZ2      TRP   1  -9.775  -1.942  -9.275
   11    HZ3  TRP   1           HZ3      TRP   1  -7.651  -1.029  -5.544
   12    HH2  TRP   1           HH2      TRP   1  -9.761  -1.746  -6.665
   13    H    LEU   2           H        LEU   2  -3.741  -4.752 -10.858
   14    HA   LEU   2           HA       LEU   2  -4.433  -5.958  -7.993
   15   1HB   LEU   2          1HB       LEU   2  -4.389  -6.872 -11.101
   16   2HB   LEU   2          2HB       LEU   2  -4.189  -8.113  -9.715
   17    HG   LEU   2           HG       LEU   2  -6.619  -7.216  -8.954
   18   1HD1  LEU   2          1HD1      LEU   2  -5.984  -5.143 -11.047
   19   2HD1  LEU   2          2HD1      LEU   2  -7.322  -5.276 -10.056
   20   3HD1  LEU   2          3HD1      LEU   2  -7.399  -6.019 -11.614
   21   1HD2  LEU   2          1HD2      LEU   2  -6.833  -8.364 -11.833
   22   2HD2  LEU   2          2HD2      LEU   2  -7.669  -8.695 -10.492
   23   3HD2  LEU   2          3HD2      LEU   2  -5.888  -9.299 -10.581
   24    H    ILE   3           H        ILE   3  -2.043  -5.787 -10.625
   25    HA   ILE   3           HA       ILE   3   0.256  -7.123  -9.072
   26    HB   ILE   3           HB       ILE   3   0.141  -7.215 -11.506
   27   1HG1  ILE   3          1HG1      ILE   3   2.500  -6.339 -12.005
   28   2HG1  ILE   3          2HG1      ILE   3   2.688  -5.840 -10.231
   29   1HG2  ILE   3          1HG2      ILE   3  -0.730  -4.771 -12.070
   30   2HG2  ILE   3          2HG2      ILE   3   1.044  -4.125 -11.523
   31   3HG2  ILE   3          3HG2      ILE   3   0.636  -5.147 -13.031
   32   1HD1  ILE   3          1HD1      ILE   3   2.610  -8.231  -9.591
   33   2HD1  ILE   3          2HD1      ILE   3   1.779  -8.561 -11.175
   34   3HD1  ILE   3          3HD1      ILE   3   3.541  -8.149 -11.163
   35    H    CYS   4           H        CYS   4  -1.281  -4.118  -8.963
   36    HA   CYS   4           HA       CYS   4   0.904  -2.542  -7.472
   37   1HB   CYS   4          2HB       CYS   4  -0.909  -1.102  -8.861
   38   2HB   CYS   4          1HB       CYS   4  -1.979  -1.499  -7.423
   39    HG   CYS   4           HG       CYS   4   0.653   0.624  -7.528
   40    H    GLU   5           H        GLU   5  -2.242  -3.070  -6.483
   41    HA   GLU   5           HA       GLU   5  -2.065  -3.252  -3.744
   42   1HB   GLU   5          2HB       GLU   5  -4.199  -4.975  -3.364
   43   2HB   GLU   5          1HB       GLU   5  -4.240  -3.263  -3.865
   44   1HG   GLU   5          1HG       GLU   5  -4.208  -4.697  -6.412
   45   2HG   GLU   5          2HG       GLU   5  -4.304  -5.918  -5.211
   46    H    GLU   6           H        GLU   6  -1.185  -6.407  -4.924
   47    HA   GLU   6           HA       GLU   6  -1.501  -7.402  -2.115
   48   1HB   GLU   6          1HB       GLU   6  -2.500  -8.837  -3.847
   49   2HB   GLU   6          2HB       GLU   6  -1.019  -9.075  -4.747
   50   1HG   GLU   6          2HG       GLU   6  -1.468 -10.951  -3.476
   51   2HG   GLU   6          1HG       GLU   6   0.044 -10.051  -2.786
   52    HA   PRO   7           HA       PRO   7   3.206  -7.732  -2.769
   53   1HB   PRO   7          1HB       PRO   7   4.758  -6.973  -4.945
   54   2HB   PRO   7          2HB       PRO   7   4.243  -8.738  -4.517
   55   1HG   PRO   7          1HG       PRO   7   2.745  -6.498  -6.253
   56   2HG   PRO   7          2HG       PRO   7   3.129  -8.078  -6.831
   57   1HD   PRO   7          1HD       PRO   7   0.506  -7.452  -5.727
   58   2HD   PRO   7          2HD       PRO   7   1.262  -8.998  -5.089
   59    H    THR   8           H        THR   8   2.849  -4.867  -4.849
   60    HA   THR   8           HA       THR   8   4.946  -3.562  -3.404
   61    HB   THR   8           HB       THR   8   3.022  -2.267  -5.668
   62    HG1  THR   8           HG1      THR   8   3.708  -3.750  -6.464
   63   1HG2  THR   8          1HG2      THR   8   5.801  -1.361  -5.795
   64   2HG2  THR   8          2HG2      THR   8   4.425  -0.361  -5.666
   65   3HG2  THR   8          3HG2      THR   8   5.486  -0.929  -4.215
   66    H    CYS   9           H        CYS   9   1.707  -3.138  -3.364
   67    HA   CYS   9           HA       CYS   9   1.581  -1.118  -1.067
   68   1HB   CYS   9          1HB       CYS   9  -0.798  -2.379  -2.402
   69   2HB   CYS   9          2HB       CYS   9  -0.920  -1.574  -0.801
   70    HG   CYS   9           HG       CYS   9  -1.254   0.410  -2.639
   71    H    ARG  10           H        ARG  10   2.035  -4.510  -0.840
   72    HA   ARG  10           HA       ARG  10   1.498  -4.641   2.093
   73   1HB   ARG  10          1HB       ARG  10   1.167  -6.533   0.392
   74   2HB   ARG  10          2HB       ARG  10   2.969  -6.555   0.326
   75   1HG   ARG  10          2HG       ARG  10   3.307  -7.233   2.615
   76   2HG   ARG  10          1HG       ARG  10   1.618  -6.956   3.069
   77   1HD   ARG  10          1HD       ARG  10   0.963  -8.912   1.581
   78   2HD   ARG  10          2HD       ARG  10   2.642  -8.871   0.836
   79    HE   ARG  10           HE       ARG  10   1.754 -10.426   3.482
   80   1HH1  ARG  10          1HH2      ARG  10   4.787  -9.525   1.310
   81   2HH1  ARG  10          2HH2      ARG  10   5.612 -10.492   2.593
   82   1HH2  ARG  10          2HH1      ARG  10   3.330 -11.441   4.436
   83   2HH2  ARG  10          1HH1      ARG  10   5.007 -11.536   4.057
   84    H    ASN  11           H        ASN  11   4.685  -4.720  -0.053
   85    HA   ASN  11           HA       ASN  11   6.408  -3.992   2.189
   86   1HB   ASN  11          1HB       ASN  11   6.784  -3.418  -0.995
   87   2HB   ASN  11          2HB       ASN  11   7.835  -2.636   0.409
   88   1HD2  ASN  11          2HD2      ASN  11   6.200  -5.709  -0.625
   89   2HD2  ASN  11          1HD2      ASN  11   7.393  -6.899   0.050
   90    H    ARG  12           H        ARG  12   4.120  -2.020   0.439
   91    HA   ARG  12           HA       ARG  12   5.185   0.667   1.804
   92   1HB   ARG  12          2HB       ARG  12   4.016   1.890   0.493
   93   2HB   ARG  12          1HB       ARG  12   3.720   0.451  -0.506
   94   1HG   ARG  12          1HG       ARG  12   1.428   0.417   0.691
   95   2HG   ARG  12          2HG       ARG  12   1.959   1.641   1.733
   96   1HD   ARG  12          1HD       ARG  12   0.616   2.679   0.318
   97   2HD   ARG  12          2HD       ARG  12   2.198   3.473  -0.122
   98    HE   ARG  12           HE       ARG  12   0.555   1.816  -1.924
   99   1HH1  ARG  12          1HH1      ARG  12   3.395   3.508  -1.258
  100   2HH1  ARG  12          2HH1      ARG  12   4.263   3.288  -2.857
  101   1HH2  ARG  12          1HH2      ARG  12   1.316   1.379  -4.040
  102   2HH2  ARG  12          2HH2      ARG  12   2.766   2.374  -4.359
  103    H    THR  13           H        THR  13   3.375  -2.086   2.827
  104    HA   THR  13           HA       THR  13   2.314  -0.642   5.081
  105    HB   THR  13           HB       THR  13   1.521  -3.701   4.530
  106    HG1  THR  13           HG1      THR  13   0.516  -2.046   3.528
  107   1HG2  THR  13          1HG2      THR  13   1.053  -1.659   6.881
  108   2HG2  THR  13          2HG2      THR  13  -0.140  -3.115   6.692
  109   3HG2  THR  13          3HG2      THR  13   1.647  -3.165   7.342
  110    H    ARG  14           H        ARG  14   4.934  -2.018   4.117
  111    HA   ARG  14           HA       ARG  14   6.143  -2.222   6.895
  112   1HB   ARG  14          1HB       ARG  14   7.778  -2.573   4.414
  113   2HB   ARG  14          2HB       ARG  14   8.456  -2.554   5.953
  114   1HG   ARG  14          2HG       ARG  14   8.334  -4.534   6.338
  115   2HG   ARG  14          1HG       ARG  14   6.878  -4.626   6.622
  116   1HD   ARG  14          1HD       ARG  14   6.153  -5.443   4.195
  117   2HD   ARG  14          2HD       ARG  14   7.635  -5.442   3.905
  118    HE   ARG  14           HE       ARG  14   8.114  -7.487   5.464
  119   1HH1  ARG  14          1HH1      ARG  14   4.827  -6.901   4.551
  120   2HH1  ARG  14          2HH1      ARG  14   4.260  -8.539   5.112
  121   1HH2  ARG  14          1HH2      ARG  14   7.660  -9.280   5.693
  122   2HH2  ARG  14          2HH2      ARG  14   5.978  -9.759   6.079
  123    H    HIS  15           H        HIS  15   5.435  -0.223   4.591
  124    HA   HIS  15           HA       HIS  15   7.425   2.114   5.470
  125   1HB   HIS  15          2HB       HIS  15   5.012   2.387   3.553
  126   2HB   HIS  15          1HB       HIS  15   5.659   3.736   4.189
  127    HD1  HIS  15           HD1      HIS  15   5.634   3.271   1.578
  128    HD2  HIS  15           HD2      HIS  15   8.749   1.543   3.556
  129    HE1  HIS  15           HE1      HIS  15   7.600   2.834  -0.215
  130    HE2  HIS  15           HE2      HIS  15   9.735   2.261   1.158
  131    H    LEU  16           H        LEU  16   4.645   0.581   6.909
  132    HA   LEU  16           HA       LEU  16   3.055   2.755   7.909
  133   1HB   LEU  16          1HB       LEU  16   2.271   0.353   7.244
  134   2HB   LEU  16          2HB       LEU  16   2.812  -0.167   8.724
  135    HG   LEU  16           HG       LEU  16   1.287   2.296   9.245
  136   1HD1  LEU  16          1HD2      LEU  16   0.363   1.714   6.792
  137   2HD1  LEU  16          2HD2      LEU  16  -0.269   0.164   7.546
  138   3HD1  LEU  16          3HD2      LEU  16  -0.718   1.751   8.207
  139   1HD2  LEU  16          1HD1      LEU  16  -0.277   0.641  10.328
  140   2HD2  LEU  16          2HD1      LEU  16   0.806  -0.655   9.791
  141   3HD2  LEU  16          3HD1      LEU  16   1.584   0.441  10.935
  142    HA   PRO  17           HA       PRO  17   5.760   2.622  11.783
  143   1HB   PRO  17          1HB       PRO  17   8.226   1.170  11.494
  144   2HB   PRO  17          2HB       PRO  17   7.070   0.580  12.587
  145   1HG   PRO  17          1HG       PRO  17   7.728  -0.191   9.821
  146   2HG   PRO  17          2HG       PRO  17   6.777  -1.266  11.075
  147   1HD   PRO  17          1HD       PRO  17   5.319  -0.141   8.840
  148   2HD   PRO  17          2HD       PRO  17   4.733  -0.291  10.653
  149    H    LEU  18           H        LEU  18   7.490   2.966   8.754
  150    HA   LEU  18           HA       LEU  18   9.188   5.305   9.958
  151   1HB   LEU  18          2HB       LEU  18   9.832   6.167   7.634
  152   2HB   LEU  18          1HB       LEU  18  10.311   4.560   7.989
  153    HG   LEU  18           HG       LEU  18   8.181   4.101   6.400
  154   1HD1  LEU  18          1HD1      LEU  18   8.796   6.865   5.306
  155   2HD1  LEU  18          2HD1      LEU  18   7.871   5.510   4.549
  156   3HD1  LEU  18          3HD1      LEU  18   7.150   6.139   5.916
  157   1HD2  LEU  18          1HD2      LEU  18  10.878   5.196   5.227
  158   2HD2  LEU  18          2HD2      LEU  18   9.791   4.021   4.501
  159   3HD2  LEU  18          3HD2      LEU  18  10.790   3.597   6.048
  160    H    GLN  19           H        GLN  19   6.360   5.058   7.980
  161    HA   GLN  19           HA       GLN  19   4.414   6.057   7.599
  162   1HB   GLN  19          1HB       GLN  19   4.704   5.881  10.379
  163   2HB   GLN  19          2HB       GLN  19   4.720   7.575  10.533
  164   1HG   GLN  19          2HG       GLN  19   2.433   7.653  10.088
  165   2HG   GLN  19          1HG       GLN  19   2.509   6.660   8.531
  166   1HE2  GLN  19          1HE2      GLN  19   1.689   6.963  11.489
  167   2HE2  GLN  19          2HE2      GLN  19   1.027   5.061  12.005
  168    H    PHE  20           H        PHE  20   6.894   7.887   6.835
  169    HA   PHE  20           HA       PHE  20   5.202  10.504   6.598
  170   1HB   PHE  20          2HB       PHE  20   6.930  11.561   5.814
  171   2HB   PHE  20          1HB       PHE  20   7.438  10.775   7.318
  172    HD1  PHE  20           HD1      PHE  20   9.590   9.111   6.928
  173    HD2  PHE  20           HD2      PHE  20   7.786  10.979   3.487
  174    HE1  PHE  20           HE1      PHE  20  11.516   8.624   5.596
  175    HE2  PHE  20           HE2      PHE  20   9.786  10.698   2.308
  176    HZ   PHE  20           HZ       PHE  20  11.609   9.494   3.147
  177    H    SER  21           H        SER  21   5.592   7.599   4.553
  178    HA   SER  21           HA       SER  21   4.237   9.173   2.315
  179   1HB   SER  21          2HB       SER  21   6.472   7.642   2.052
  180   2HB   SER  21          1HB       SER  21   5.448   6.181   1.982
  181    HG   SER  21           HG       SER  21   5.926   7.716   0.267
  182    H    ARG  22           H        ARG  22   2.725   8.630   4.868
  183    HA   ARG  22           HA       ARG  22   0.779   6.730   4.368
  184   1HB   ARG  22          1HB       ARG  22  -0.978   8.480   5.470
  185   2HB   ARG  22          2HB       ARG  22   0.383   7.879   6.267
  186   1HG   ARG  22          1HG       ARG  22   0.845  10.545   4.933
  187   2HG   ARG  22          2HG       ARG  22  -0.564  10.439   5.827
  188   1HD   ARG  22          1HD       ARG  22   1.607   9.445   7.689
  189   2HD   ARG  22          2HD       ARG  22   2.401  10.367   6.516
  190    HE   ARG  22           HE       ARG  22   0.490  12.144   7.309
  191   1HH1  ARG  22          1HH2      ARG  22   3.131  10.450   8.916
  192   2HH1  ARG  22          2HH2      ARG  22   3.244  11.645  10.144
  193   1HH2  ARG  22          1HH1      ARG  22   0.703  13.450   9.100
  194   2HH2  ARG  22          2HH1      ARG  22   2.299  13.259  10.041
  195    H    THR  23           H        THR  23   0.934   9.529   2.648
  196    HA   THR  23           HA       THR  23  -1.686   8.877   0.898
  197    HB   THR  23           HB       THR  23  -1.408  11.182  -0.135
  198    HG1  THR  23           HG1      THR  23   0.315  12.289   1.596
  199   1HG2  THR  23          1HG2      THR  23  -2.069  12.543   1.928
  200   2HG2  THR  23          2HG2      THR  23  -2.745  10.933   1.986
  201   3HG2  THR  23          3HG2      THR  23  -1.244  11.330   3.004
  202    H    GLY  24           H        GLY  24   1.881   9.893   0.306
  203   1HA   GLY  24          1HA       GLY  24   3.199   9.195  -1.235
  204   2HA   GLY  24          2HA       GLY  24   2.162   7.658  -1.158
  205    HA   PRO  25           HA       PRO  25   0.488   9.896  -4.863
  206   1HB   PRO  25          1HB       PRO  25   1.355  12.083  -5.860
  207   2HB   PRO  25          2HB       PRO  25   0.905  11.684  -4.258
  208   1HG   PRO  25          1HG       PRO  25   3.837  12.096  -5.169
  209   2HG   PRO  25          2HG       PRO  25   2.972  12.624  -3.555
  210   1HD   PRO  25          1HD       PRO  25   4.344  10.053  -3.667
  211   2HD   PRO  25          2HD       PRO  25   3.287  10.888  -2.440
  212    H    LEU  26           H        LEU  26   1.221   7.906  -5.265
  213    HA   LEU  26           HA       LEU  26   2.271   7.532  -8.115
  214   1HB   LEU  26          2HB       LEU  26   2.769   5.430  -5.752
  215   2HB   LEU  26          1HB       LEU  26   3.095   5.312  -7.526
  216    HG   LEU  26           HG       LEU  26   4.627   7.364  -7.299
  217   1HD1  LEU  26          1HD2      LEU  26   3.762   7.343  -4.460
  218   2HD1  LEU  26          2HD2      LEU  26   5.004   8.311  -5.076
  219   3HD1  LEU  26          3HD2      LEU  26   5.350   6.618  -4.524
  220   1HD2  LEU  26          1HD1      LEU  26   6.729   6.318  -6.236
  221   2HD2  LEU  26          2HD1      LEU  26   5.902   5.232  -7.556
  222   3HD2  LEU  26          3HD1      LEU  26   5.748   4.738  -5.840
  223    H    CYS  27           H        CYS  27   0.171   5.811  -5.594
  224    HA   CYS  27           HA       CYS  27  -1.821   5.351  -7.870
  225   1HB   CYS  27          1HB       CYS  27  -2.507   2.960  -6.920
  226   2HB   CYS  27          2HB       CYS  27  -0.638   2.920  -7.544
  227    HG   CYS  27           HG       CYS  27  -0.327   3.822  -4.759
  228    HA   PRO  28           HA       PRO  28  -4.751   6.825  -4.819
  229   1HB   PRO  28          1HB       PRO  28  -7.254   6.124  -5.906
  230   2HB   PRO  28          2HB       PRO  28  -6.140   7.339  -6.520
  231   1HG   PRO  28          1HG       PRO  28  -6.446   4.533  -7.690
  232   2HG   PRO  28          2HG       PRO  28  -6.462   6.149  -8.512
  233   1HD   PRO  28          1HD       PRO  28  -3.780   4.850  -8.257
  234   2HD   PRO  28          2HD       PRO  28  -4.037   6.540  -8.115
  235    H    ALA  29           H        ALA  29  -3.892   5.018  -3.321
  236    HA   ALA  29           HA       ALA  29  -4.335   4.174  -1.036
  237   1HB   ALA  29          1HB       ALA  29  -7.478   5.196  -1.656
  238   2HB   ALA  29          2HB       ALA  29  -6.594   4.529  -0.033
  239   3HB   ALA  29          3HB       ALA  29  -6.374   6.111  -0.580
  240    H    CYS  30           H        CYS  30  -3.733   2.841  -2.598
  241    HA   CYS  30           HA       CYS  30  -5.273   0.353  -3.481
  242   1HB   CYS  30          1HB       CYS  30  -3.918   1.680  -4.920
  243   2HB   CYS  30          2HB       CYS  30  -2.427   1.466  -3.950
  244    HG   CYS  30           HG       CYS  30  -1.870   0.094  -5.538
  245    H    MET  31           H        MET  31  -3.850   1.712  -0.852
  246    HA   MET  31           HA       MET  31  -2.560  -0.649   0.337
  247   1HB   MET  31          2HB       MET  31  -1.582   1.646   0.584
  248   2HB   MET  31          1HB       MET  31  -2.933   2.277   1.582
  249   1HG   MET  31          2HG       MET  31  -0.532   0.172   2.293
  250   2HG   MET  31          1HG       MET  31  -1.121   1.771   3.063
  251   1HE   MET  31          1HE       MET  31  -3.764   1.663   4.105
  252   2HE   MET  31          2HE       MET  31  -3.801   0.580   5.565
  253   3HE   MET  31          3HE       MET  31  -2.248   1.384   5.334
  254    H    LYS  32           H        LYS  32  -5.628   0.883   0.781
  255    HA   LYS  32           HA       LYS  32  -6.641  -0.907   2.959
  256   1HB   LYS  32          1HB       LYS  32  -8.740   0.318   2.962
  257   2HB   LYS  32          2HB       LYS  32  -7.527   1.406   2.867
  258   1HG   LYS  32          1HG       LYS  32  -8.007   1.036   0.128
  259   2HG   LYS  32          2HG       LYS  32  -9.413   0.418   0.807
  260   1HD   LYS  32          2HD       LYS  32  -9.716   2.425   2.211
  261   2HD   LYS  32          1HD       LYS  32  -8.232   3.310   1.512
  262   1HE   LYS  32          1HE       LYS  32  -9.192   3.677  -0.652
  263   2HE   LYS  32          2HE       LYS  32 -10.457   2.486  -0.412
  264   1HZ   LYS  32          1HZ       LYS  32 -10.329   5.322   0.113
  265   2HZ   LYS  32          2HZ       LYS  32 -11.524   4.533   0.960
  266   3HZ   LYS  32          3HZ       LYS  32 -10.129   4.749   1.698
  267    H    ALA  33           H        ALA  33  -6.498  -1.067  -0.289
  268    HA   ALA  33           HA       ALA  33  -8.270  -3.455  -0.862
  269   1HB   ALA  33          1HB       ALA  33  -7.622  -2.153  -3.138
  270   2HB   ALA  33          2HB       ALA  33  -5.840  -2.790  -2.790
  271   3HB   ALA  33          3HB       ALA  33  -7.339  -3.859  -3.082
  272    H    THR  34           H        THR  34  -4.775  -3.240  -0.806
  273    HA   THR  34           HA       THR  34  -3.906  -5.918  -0.746
  274    HB   THR  34           HB       THR  34  -2.556  -4.146   1.386
  275    HG1  THR  34           HG1      THR  34  -2.371  -4.324  -1.477
  276   1HG2  THR  34          1HG2      THR  34  -1.734  -6.691   0.451
  277   2HG2  THR  34          2HG2      THR  34  -0.539  -5.356   0.501
  278   3HG2  THR  34          3HG2      THR  34  -1.438  -5.963   1.904
  279    H    LEU  35           H        LEU  35  -5.306  -4.358   1.992
  280    HA   LEU  35           HA       LEU  35  -5.464  -6.170   4.292
  281   1HB   LEU  35          2HB       LEU  35  -6.828  -3.672   3.669
  282   2HB   LEU  35          1HB       LEU  35  -7.341  -4.908   5.004
  283    HG   LEU  35           HG       LEU  35  -4.688  -4.701   5.512
  284   1HD1  LEU  35          1HD1      LEU  35  -5.034  -1.883   5.265
  285   2HD1  LEU  35          2HD1      LEU  35  -4.561  -2.619   3.791
  286   3HD1  LEU  35          3HD1      LEU  35  -3.709  -2.899   5.329
  287   1HD2  LEU  35          1HD2      LEU  35  -6.009  -4.378   7.412
  288   2HD2  LEU  35          2HD2      LEU  35  -4.904  -3.258   7.418
  289   3HD2  LEU  35          3HD2      LEU  35  -6.773  -2.879   7.079
  290    H    GLN  36           H        GLN  36  -7.935  -5.780   1.406
  291    HA   GLN  36           HA       GLN  36  -9.685  -7.595   2.789
  292   1HB   GLN  36          1HB       GLN  36 -10.328  -7.568  -0.065
  293   2HB   GLN  36          2HB       GLN  36 -11.270  -7.929   1.241
  294   1HG   GLN  36          1HG       GLN  36 -11.759  -5.836   1.984
  295   2HG   GLN  36          2HG       GLN  36 -10.234  -5.134   1.298
  296   1HE2  GLN  36          2HE2      GLN  36 -13.242  -6.166  -0.187
  297   2HE2  GLN  36          1HE2      GLN  36 -13.276  -4.505  -0.756
  298    HA   PRO  37           HA       PRO  37  -7.592 -11.372   0.211
  299   1HB   PRO  37          1HB       PRO  37  -5.170 -10.548  -0.907
  300   2HB   PRO  37          2HB       PRO  37  -6.735 -11.004  -1.736
  301   1HG   PRO  37          1HG       PRO  37  -5.520  -8.056  -1.546
  302   2HG   PRO  37          2HG       PRO  37  -7.042  -8.979  -2.499
  303   1HD   PRO  37          1HD       PRO  37  -7.288  -7.401  -0.094
  304   2HD   PRO  37          2HD       PRO  37  -8.401  -8.002  -1.282
  305    H    GLU  38           H        GLU  38  -6.027  -8.913   2.364
  306    HA   GLU  38           HA       GLU  38  -4.928 -11.424   3.806
  307   1HB   GLU  38          1HB       GLU  38  -3.027 -10.416   4.656
  308   2HB   GLU  38          2HB       GLU  38  -3.376  -9.158   3.364
  309   1HG   GLU  38          1HG       GLU  38  -4.322  -7.761   4.725
  310   2HG   GLU  38          2HG       GLU  38  -4.266  -8.437   6.120
  Start of MODEL   11
    1   1H    TRP   1          1H        TRP   1  -3.544  -1.341 -12.012
    2   2H    TRP   1          2H        TRP   1  -2.740  -2.692 -11.826
    3   3H    TRP   1          3H        TRP   1  -4.431  -2.897 -11.885
    4    HA   TRP   1           HA       TRP   1  -2.301  -1.999 -10.137
    5   1HB   TRP   1          1HB       TRP   1  -3.880  -0.756  -8.558
    6   2HB   TRP   1          2HB       TRP   1  -3.861   0.100 -10.199
    7    HD1  TRP   1           HD1      TRP   1  -6.024  -1.106 -11.965
    8    HE1  TRP   1           HE1      TRP   1  -8.275  -1.698 -11.559
    9    HE3  TRP   1           HE3      TRP   1  -5.693  -0.612  -6.770
   10    HZ2  TRP   1           HZ2      TRP   1 -10.330  -1.403  -9.036
   11    HZ3  TRP   1           HZ3      TRP   1  -7.810  -0.288  -5.750
   12    HH2  TRP   1           HH2      TRP   1 -10.138  -0.701  -6.763
   13    H    LEU   2           H        LEU   2  -4.027  -4.536 -11.038
   14    HA   LEU   2           HA       LEU   2  -4.376  -5.705  -8.208
   15   1HB   LEU   2          1HB       LEU   2  -4.047  -6.985 -11.168
   16   2HB   LEU   2          2HB       LEU   2  -4.374  -7.966  -9.840
   17    HG   LEU   2           HG       LEU   2  -6.244  -6.386  -8.983
   18   1HD1  LEU   2          1HD1      LEU   2  -6.401  -4.739 -11.200
   19   2HD1  LEU   2          2HD1      LEU   2  -7.998  -5.646 -10.698
   20   3HD1  LEU   2          3HD1      LEU   2  -7.134  -6.121 -12.013
   21   1HD2  LEU   2          1HD2      LEU   2  -6.368  -8.674 -11.195
   22   2HD2  LEU   2          2HD2      LEU   2  -7.842  -8.259 -10.532
   23   3HD2  LEU   2          3HD2      LEU   2  -6.629  -8.955  -9.534
   24    H    ILE   3           H        ILE   3  -1.952  -5.981 -10.813
   25    HA   ILE   3           HA       ILE   3   0.281  -7.037  -9.297
   26    HB   ILE   3           HB       ILE   3   0.242  -6.897 -11.826
   27   1HG1  ILE   3          1HG1      ILE   3   2.568  -6.628 -11.953
   28   2HG1  ILE   3          2HG1      ILE   3   2.852  -5.738 -10.466
   29   1HG2  ILE   3          1HG2      ILE   3  -0.382  -4.560 -12.268
   30   2HG2  ILE   3          2HG2      ILE   3   1.121  -3.967 -11.471
   31   3HG2  ILE   3          3HG2      ILE   3   1.098  -4.917 -12.984
   32   1HD1  ILE   3          1HD1      ILE   3   1.949  -8.364  -9.604
   33   2HD1  ILE   3          2HD1      ILE   3   2.517  -8.856 -11.228
   34   3HD1  ILE   3          3HD1      ILE   3   3.493  -8.049  -9.881
   35    H    CYS   4           H        CYS   4  -1.320  -4.210  -9.081
   36    HA   CYS   4           HA       CYS   4   0.899  -2.660  -7.619
   37   1HB   CYS   4          2HB       CYS   4  -1.113  -1.444  -8.719
   38   2HB   CYS   4          1HB       CYS   4  -1.937  -1.520  -7.300
   39    HG   CYS   4           HG       CYS   4   0.071   0.593  -7.668
   40    H    GLU   5           H        GLU   5  -2.219  -3.134  -6.366
   41    HA   GLU   5           HA       GLU   5  -2.009  -2.927  -3.924
   42   1HB   GLU   5          2HB       GLU   5  -3.965  -4.055  -3.561
   43   2HB   GLU   5          1HB       GLU   5  -4.098  -2.888  -4.742
   44   1HG   GLU   5          1HG       GLU   5  -3.801  -5.294  -6.266
   45   2HG   GLU   5          2HG       GLU   5  -4.316  -5.927  -4.673
   46    H    GLU   6           H        GLU   6  -1.408  -6.583  -5.056
   47    HA   GLU   6           HA       GLU   6  -1.323  -7.246  -2.107
   48   1HB   GLU   6          1HB       GLU   6  -2.511  -8.714  -3.192
   49   2HB   GLU   6          2HB       GLU   6  -1.718  -9.006  -4.570
   50   1HG   GLU   6          2HG       GLU   6  -1.310 -10.904  -3.615
   51   2HG   GLU   6          1HG       GLU   6   0.243 -10.321  -2.990
   52    HA   PRO   7           HA       PRO   7   3.578  -7.841  -2.859
   53   1HB   PRO   7          1HB       PRO   7   4.700  -6.754  -5.419
   54   2HB   PRO   7          2HB       PRO   7   4.382  -8.432  -4.773
   55   1HG   PRO   7          1HG       PRO   7   2.964  -6.716  -6.726
   56   2HG   PRO   7          2HG       PRO   7   2.848  -8.497  -6.696
   57   1HD   PRO   7          1HD       PRO   7   0.738  -6.844  -5.773
   58   2HD   PRO   7          2HD       PRO   7   0.937  -8.512  -5.391
   59    H    THR   8           H        THR   8   3.260  -4.955  -4.883
   60    HA   THR   8           HA       THR   8   5.058  -3.439  -3.554
   61    HB   THR   8           HB       THR   8   2.758  -2.163  -5.158
   62    HG1  THR   8           HG1      THR   8   3.969  -2.985  -7.254
   63   1HG2  THR   8          1HG2      THR   8   5.592  -1.329  -4.502
   64   2HG2  THR   8          2HG2      THR   8   5.409  -1.121  -6.213
   65   3HG2  THR   8          3HG2      THR   8   4.127  -0.385  -5.055
   66    H    CYS   9           H        CYS   9   1.753  -3.360  -3.087
   67    HA   CYS   9           HA       CYS   9   1.856  -1.065  -1.272
   68   1HB   CYS   9          1HB       CYS   9  -0.384  -2.695  -2.009
   69   2HB   CYS   9          2HB       CYS   9  -0.835  -1.522  -0.953
   70    HG   CYS   9           HG       CYS   9  -1.184  -0.058  -2.579
   71    H    ARG  10           H        ARG  10   0.969  -4.594  -0.553
   72    HA   ARG  10           HA       ARG  10   1.639  -4.646   2.161
   73   1HB   ARG  10          1HB       ARG  10   1.128  -6.744   0.677
   74   2HB   ARG  10          2HB       ARG  10   2.776  -6.840   0.487
   75   1HG   ARG  10          2HG       ARG  10   3.575  -7.261   2.475
   76   2HG   ARG  10          1HG       ARG  10   2.117  -7.069   3.330
   77   1HD   ARG  10          1HD       ARG  10   1.112  -8.965   1.719
   78   2HD   ARG  10          2HD       ARG  10   2.755  -8.953   1.090
   79    HE   ARG  10           HE       ARG  10   2.142 -10.076   3.784
   80   1HH1  ARG  10          1HH2      ARG  10   4.569  -9.320   1.220
   81   2HH1  ARG  10          2HH2      ARG  10   5.559 -10.593   1.944
   82   1HH2  ARG  10          2HH1      ARG  10   3.481 -11.400   4.368
   83   2HH2  ARG  10          1HH1      ARG  10   5.058 -11.730   3.651
   84    H    ASN  11           H        ASN  11   4.072  -4.268  -0.204
   85    HA   ASN  11           HA       ASN  11   6.143  -4.085   2.039
   86   1HB   ASN  11          1HB       ASN  11   6.780  -3.284  -0.835
   87   2HB   ASN  11          2HB       ASN  11   7.860  -2.813   0.413
   88   1HD2  ASN  11          2HD2      ASN  11   6.876  -5.493  -1.393
   89   2HD2  ASN  11          1HD2      ASN  11   8.276  -6.486  -0.986
   90    H    ARG  12           H        ARG  12   4.081  -1.936   0.563
   91    HA   ARG  12           HA       ARG  12   5.090   0.534   1.770
   92   1HB   ARG  12          2HB       ARG  12   3.816   1.850   0.598
   93   2HB   ARG  12          1HB       ARG  12   3.824   0.442  -0.381
   94   1HG   ARG  12          1HG       ARG  12   1.336   0.286   0.419
   95   2HG   ARG  12          2HG       ARG  12   1.885   1.418   1.815
   96   1HD   ARG  12          1HD       ARG  12   0.660   2.810   0.563
   97   2HD   ARG  12          2HD       ARG  12   2.237   3.290   0.357
   98    HE   ARG  12           HE       ARG  12   0.538   1.946  -1.735
   99   1HH1  ARG  12          1HH1      ARG  12   3.604   3.668  -1.254
  100   2HH1  ARG  12          2HH1      ARG  12   4.192   3.549  -3.055
  101   1HH2  ARG  12          1HH2      ARG  12   1.299   1.589  -3.830
  102   2HH2  ARG  12          2HH2      ARG  12   3.043   2.097  -4.135
  103    H    THR  13           H        THR  13   2.582  -2.163   2.865
  104    HA   THR  13           HA       THR  13   2.396  -0.712   5.344
  105    HB   THR  13           HB       THR  13   2.008  -3.715   5.190
  106    HG1  THR  13           HG1      THR  13   0.258  -1.662   4.096
  107   1HG2  THR  13          1HG2      THR  13   0.917  -1.617   6.802
  108   2HG2  THR  13          2HG2      THR  13  -0.239  -2.572   6.374
  109   3HG2  THR  13          3HG2      THR  13   1.157  -3.404   7.355
  110    H    ARG  14           H        ARG  14   5.073  -2.377   4.326
  111    HA   ARG  14           HA       ARG  14   6.085  -2.275   7.012
  112   1HB   ARG  14          1HB       ARG  14   6.970  -3.171   4.340
  113   2HB   ARG  14          2HB       ARG  14   8.305  -2.916   5.553
  114   1HG   ARG  14          2HG       ARG  14   8.183  -4.860   6.367
  115   2HG   ARG  14          1HG       ARG  14   6.311  -4.669   6.706
  116   1HD   ARG  14          1HD       ARG  14   5.804  -5.477   4.693
  117   2HD   ARG  14          2HD       ARG  14   7.573  -5.544   4.082
  118    HE   ARG  14           HE       ARG  14   8.322  -7.133   5.465
  119   1HH1  ARG  14          1HH1      ARG  14   4.893  -6.978   5.248
  120   2HH1  ARG  14          2HH1      ARG  14   4.467  -8.733   5.260
  121   1HH2  ARG  14          1HH2      ARG  14   7.993  -9.274   5.774
  122   2HH2  ARG  14          2HH2      ARG  14   6.412 -10.029   5.280
  123    H    HIS  15           H        HIS  15   5.530  -0.095   4.774
  124    HA   HIS  15           HA       HIS  15   7.383   2.034   5.807
  125   1HB   HIS  15          2HB       HIS  15   5.157   2.615   3.825
  126   2HB   HIS  15          1HB       HIS  15   6.270   3.895   4.461
  127    HD1  HIS  15           HD1      HIS  15   6.123   3.737   1.537
  128    HD2  HIS  15           HD2      HIS  15   8.843   1.157   3.607
  129    HE1  HIS  15           HE1      HIS  15   7.642   2.886  -0.146
  130    HE2  HIS  15           HE2      HIS  15   9.484   1.270   1.068
  131    H    LEU  16           H        LEU  16   4.741   0.687   7.047
  132    HA   LEU  16           HA       LEU  16   2.971   3.129   7.873
  133   1HB   LEU  16          1HB       LEU  16   2.141   0.849   7.268
  134   2HB   LEU  16          2HB       LEU  16   2.621   0.059   8.724
  135    HG   LEU  16           HG       LEU  16   0.958   2.497   9.091
  136   1HD1  LEU  16          1HD2      LEU  16  -0.105   1.905   7.289
  137   2HD1  LEU  16          2HD2      LEU  16  -0.459   0.125   7.855
  138   3HD1  LEU  16          3HD2      LEU  16  -1.236   1.709   8.557
  139   1HD2  LEU  16          1HD1      LEU  16   0.202   1.235  10.977
  140   2HD2  LEU  16          2HD1      LEU  16   0.238  -0.373  10.158
  141   3HD2  LEU  16          3HD1      LEU  16   1.625   0.339  10.847
  142    HA   PRO  17           HA       PRO  17   5.859   2.641  12.048
  143   1HB   PRO  17          1HB       PRO  17   8.290   1.390  11.673
  144   2HB   PRO  17          2HB       PRO  17   6.954   1.077  12.589
  145   1HG   PRO  17          1HG       PRO  17   7.926   0.568   9.785
  146   2HG   PRO  17          2HG       PRO  17   7.606  -0.740  10.861
  147   1HD   PRO  17          1HD       PRO  17   5.694  -0.114   8.882
  148   2HD   PRO  17          2HD       PRO  17   5.050  -0.214  10.514
  149    H    LEU  18           H        LEU  18   7.283   3.129   8.612
  150    HA   LEU  18           HA       LEU  18   9.154   5.463   9.772
  151   1HB   LEU  18          2HB       LEU  18   9.907   6.103   7.733
  152   2HB   LEU  18          1HB       LEU  18  10.128   4.341   7.952
  153    HG   LEU  18           HG       LEU  18   8.062   4.121   6.284
  154   1HD1  LEU  18          1HD1      LEU  18   9.263   6.859   5.594
  155   2HD1  LEU  18          2HD1      LEU  18   8.476   5.813   4.446
  156   3HD1  LEU  18          3HD1      LEU  18   7.718   6.679   5.818
  157   1HD2  LEU  18          1HD2      LEU  18  10.976   4.632   5.825
  158   2HD2  LEU  18          2HD2      LEU  18  10.031   3.992   4.490
  159   3HD2  LEU  18          3HD2      LEU  18  10.220   3.060   6.121
  160    H    GLN  19           H        GLN  19   6.488   5.057   8.114
  161    HA   GLN  19           HA       GLN  19   4.376   6.169   7.969
  162   1HB   GLN  19          1HB       GLN  19   4.703   5.949  10.367
  163   2HB   GLN  19          2HB       GLN  19   4.699   7.652  10.408
  164   1HG   GLN  19          2HG       GLN  19   2.314   7.788  10.132
  165   2HG   GLN  19          1HG       GLN  19   2.454   7.025   8.649
  166   1HE2  GLN  19          1HE2      GLN  19   1.840   6.768  12.041
  167   2HE2  GLN  19          2HE2      GLN  19   0.746   4.960  12.071
  168    H    PHE  20           H        PHE  20   6.613   7.758   6.316
  169    HA   PHE  20           HA       PHE  20   5.212  10.356   6.388
  170   1HB   PHE  20          2HB       PHE  20   7.081  11.435   5.650
  171   2HB   PHE  20          1HB       PHE  20   7.474  10.522   7.178
  172    HD1  PHE  20           HD1      PHE  20   9.845   9.143   6.967
  173    HD2  PHE  20           HD2      PHE  20   7.649  10.809   3.604
  174    HE1  PHE  20           HE1      PHE  20  11.607   8.707   5.672
  175    HE2  PHE  20           HE2      PHE  20   9.901  10.413   2.116
  176    HZ   PHE  20           HZ       PHE  20  11.755   9.663   3.197
  177    H    SER  21           H        SER  21   5.320   7.717   4.607
  178    HA   SER  21           HA       SER  21   4.103   9.469   2.314
  179   1HB   SER  21          2HB       SER  21   6.206   8.277   1.751
  180   2HB   SER  21          1HB       SER  21   5.827   6.787   2.420
  181    HG   SER  21           HG       SER  21   4.273   6.405   0.466
  182    H    ARG  22           H        ARG  22   2.536   8.859   4.601
  183    HA   ARG  22           HA       ARG  22   0.568   6.764   4.654
  184   1HB   ARG  22          1HB       ARG  22  -1.158   8.818   5.418
  185   2HB   ARG  22          2HB       ARG  22   0.189   8.125   6.321
  186   1HG   ARG  22          1HG       ARG  22   1.095  10.555   5.015
  187   2HG   ARG  22          2HG       ARG  22  -0.516  10.840   5.815
  188   1HD   ARG  22          1HD       ARG  22   1.206   9.349   7.784
  189   2HD   ARG  22          2HD       ARG  22   2.303  10.390   6.812
  190    HE   ARG  22           HE       ARG  22   0.523  12.319   7.365
  191   1HH1  ARG  22          1HH2      ARG  22   3.057  10.454   8.941
  192   2HH1  ARG  22          2HH2      ARG  22   2.987  11.542  10.330
  193   1HH2  ARG  22          1HH1      ARG  22   0.690  13.515   9.139
  194   2HH2  ARG  22          2HH1      ARG  22   2.106  13.057  10.339
  195    H    THR  23           H        THR  23   0.495   9.585   2.837
  196    HA   THR  23           HA       THR  23  -1.728   8.841   0.938
  197    HB   THR  23           HB       THR  23  -1.539  10.956  -0.247
  198    HG1  THR  23           HG1      THR  23  -0.103  12.435   1.382
  199   1HG2  THR  23          1HG2      THR  23  -2.348  12.536   1.531
  200   2HG2  THR  23          2HG2      THR  23  -2.838  10.928   1.672
  201   3HG2  THR  23          3HG2      THR  23  -1.606  11.529   2.831
  202    H    GLY  24           H        GLY  24   1.844   9.897   0.234
  203   1HA   GLY  24          1HA       GLY  24   3.321   9.006  -1.636
  204   2HA   GLY  24          2HA       GLY  24   2.542   7.470  -1.563
  205    HA   PRO  25           HA       PRO  25   0.536  10.048  -4.947
  206   1HB   PRO  25          1HB       PRO  25   1.736  12.137  -6.083
  207   2HB   PRO  25          2HB       PRO  25   1.294  12.297  -4.334
  208   1HG   PRO  25          1HG       PRO  25   4.165  11.939  -5.302
  209   2HG   PRO  25          2HG       PRO  25   3.292  12.751  -4.008
  210   1HD   PRO  25          1HD       PRO  25   4.423  10.044  -3.726
  211   2HD   PRO  25          2HD       PRO  25   3.255  10.960  -2.506
  212    H    LEU  26           H        LEU  26   1.074   7.898  -5.499
  213    HA   LEU  26           HA       LEU  26   2.491   7.601  -8.103
  214   1HB   LEU  26          2HB       LEU  26   2.576   5.237  -6.286
  215   2HB   LEU  26          1HB       LEU  26   3.308   5.546  -7.877
  216    HG   LEU  26           HG       LEU  26   4.935   7.202  -7.367
  217   1HD1  LEU  26          1HD2      LEU  26   3.745   7.179  -4.658
  218   2HD1  LEU  26          2HD2      LEU  26   4.709   8.342  -5.590
  219   3HD1  LEU  26          3HD2      LEU  26   5.420   6.743  -4.592
  220   1HD2  LEU  26          1HD1      LEU  26   6.336   5.487  -6.934
  221   2HD2  LEU  26          2HD1      LEU  26   5.218   4.691  -7.684
  222   3HD2  LEU  26          3HD1      LEU  26   5.322   4.599  -5.834
  223    H    CYS  27           H        CYS  27   0.100   5.907  -5.810
  224    HA   CYS  27           HA       CYS  27  -1.600   4.953  -8.010
  225   1HB   CYS  27          1HB       CYS  27  -1.947   2.899  -7.200
  226   2HB   CYS  27          2HB       CYS  27  -0.288   2.951  -7.479
  227    HG   CYS  27           HG       CYS  27   0.337   2.553  -5.161
  228    HA   PRO  28           HA       PRO  28  -4.506   7.202  -5.039
  229   1HB   PRO  28          1HB       PRO  28  -7.086   6.381  -5.908
  230   2HB   PRO  28          2HB       PRO  28  -5.982   7.503  -6.864
  231   1HG   PRO  28          1HG       PRO  28  -6.121   4.422  -7.045
  232   2HG   PRO  28          2HG       PRO  28  -6.244   5.641  -8.326
  233   1HD   PRO  28          1HD       PRO  28  -3.903   4.322  -8.084
  234   2HD   PRO  28          2HD       PRO  28  -3.983   6.247  -8.271
  235    H    ALA  29           H        ALA  29  -3.989   5.909  -2.690
  236    HA   ALA  29           HA       ALA  29  -4.574   4.742  -1.065
  237   1HB   ALA  29          1HB       ALA  29  -7.277   4.955  -1.461
  238   2HB   ALA  29          2HB       ALA  29  -6.447   4.641   0.033
  239   3HB   ALA  29          3HB       ALA  29  -5.963   6.157  -0.702
  240    H    CYS  30           H        CYS  30  -3.454   2.658  -2.418
  241    HA   CYS  30           HA       CYS  30  -5.476   0.569  -3.227
  242   1HB   CYS  30          1HB       CYS  30  -3.856   1.562  -4.813
  243   2HB   CYS  30          2HB       CYS  30  -2.529   1.190  -3.736
  244    HG   CYS  30           HG       CYS  30  -1.693  -0.839  -4.942
  245    H    MET  31           H        MET  31  -3.914   1.429  -0.518
  246    HA   MET  31           HA       MET  31  -2.450  -0.865   0.605
  247   1HB   MET  31          2HB       MET  31  -1.921   1.584   0.778
  248   2HB   MET  31          1HB       MET  31  -3.137   1.845   1.995
  249   1HG   MET  31          2HG       MET  31  -0.584   0.193   2.154
  250   2HG   MET  31          1HG       MET  31  -0.912   1.673   2.926
  251   1HE   MET  31          1HE       MET  31  -2.854   2.097   4.528
  252   2HE   MET  31          2HE       MET  31  -4.326   1.096   3.843
  253   3HE   MET  31          3HE       MET  31  -3.654   0.983   5.494
  254    H    LYS  32           H        LYS  32  -5.560   0.828   0.841
  255    HA   LYS  32           HA       LYS  32  -6.732  -0.732   3.074
  256   1HB   LYS  32          1HB       LYS  32  -8.955   0.031   2.464
  257   2HB   LYS  32          2HB       LYS  32  -7.614   1.198   2.745
  258   1HG   LYS  32          1HG       LYS  32  -7.613   1.447  -0.109
  259   2HG   LYS  32          2HG       LYS  32  -9.327   0.835   0.145
  260   1HD   LYS  32          2HD       LYS  32  -9.665   2.358   2.087
  261   2HD   LYS  32          1HD       LYS  32  -8.249   3.284   1.686
  262   1HE   LYS  32          1HE       LYS  32  -9.099   3.894  -0.487
  263   2HE   LYS  32          2HE       LYS  32 -10.648   2.907  -0.377
  264   1HZ   LYS  32          1HZ       LYS  32  -9.829   5.114   1.561
  265   2HZ   LYS  32          2HZ       LYS  32 -11.135   5.173   0.353
  266   3HZ   LYS  32          3HZ       LYS  32 -11.193   4.319   1.810
  267    H    ALA  33           H        ALA  33  -7.170  -1.113  -0.552
  268    HA   ALA  33           HA       ALA  33  -8.083  -3.637  -0.857
  269   1HB   ALA  33          1HB       ALA  33  -7.447  -1.728  -2.595
  270   2HB   ALA  33          2HB       ALA  33  -5.949  -2.469  -2.817
  271   3HB   ALA  33          3HB       ALA  33  -7.198  -3.497  -3.237
  272    H    THR  34           H        THR  34  -4.754  -3.266  -0.081
  273    HA   THR  34           HA       THR  34  -4.243  -6.116  -0.446
  274    HB   THR  34           HB       THR  34  -2.818  -3.796   1.304
  275    HG1  THR  34           HG1      THR  34  -1.866  -3.221  -0.454
  276   1HG2  THR  34          1HG2      THR  34  -2.073  -6.643   0.090
  277   2HG2  THR  34          2HG2      THR  34  -0.835  -5.404   0.369
  278   3HG2  THR  34          3HG2      THR  34  -1.604  -5.897   1.784
  279    H    LEU  35           H        LEU  35  -5.411  -4.269   2.156
  280    HA   LEU  35           HA       LEU  35  -5.553  -6.164   4.310
  281   1HB   LEU  35          2HB       LEU  35  -6.804  -3.343   3.870
  282   2HB   LEU  35          1HB       LEU  35  -7.323  -4.540   4.983
  283    HG   LEU  35           HG       LEU  35  -4.884  -4.783   5.885
  284   1HD1  LEU  35          1HD1      LEU  35  -4.396  -2.070   4.144
  285   2HD1  LEU  35          2HD1      LEU  35  -3.595  -3.770   4.134
  286   3HD1  LEU  35          3HD1      LEU  35  -3.354  -3.022   5.563
  287   1HD2  LEU  35          1HD2      LEU  35  -6.642  -4.052   7.008
  288   2HD2  LEU  35          2HD2      LEU  35  -5.592  -2.773   7.396
  289   3HD2  LEU  35          3HD2      LEU  35  -6.693  -2.416   6.107
  290    H    GLN  36           H        GLN  36  -8.226  -5.933   1.403
  291    HA   GLN  36           HA       GLN  36  -9.679  -7.878   3.008
  292   1HB   GLN  36          1HB       GLN  36  -9.836  -7.013   0.161
  293   2HB   GLN  36          2HB       GLN  36 -10.931  -8.176   0.818
  294   1HG   GLN  36          1HG       GLN  36 -12.091  -6.102   2.014
  295   2HG   GLN  36          2HG       GLN  36 -10.720  -5.302   1.931
  296   1HE2  GLN  36          2HE2      GLN  36 -13.517  -6.155   0.213
  297   2HE2  GLN  36          1HE2      GLN  36 -12.935  -5.705  -1.403
  298    HA   PRO  37           HA       PRO  37  -7.809 -11.308   0.286
  299   1HB   PRO  37          1HB       PRO  37  -5.200 -10.714  -0.868
  300   2HB   PRO  37          2HB       PRO  37  -6.669 -11.091  -1.785
  301   1HG   PRO  37          1HG       PRO  37  -5.577  -8.452  -1.548
  302   2HG   PRO  37          2HG       PRO  37  -6.942  -8.955  -2.431
  303   1HD   PRO  37          1HD       PRO  37  -7.027  -7.312  -0.096
  304   2HD   PRO  37          2HD       PRO  37  -8.359  -7.975  -1.102
  305    H    GLU  38           H        GLU  38  -6.402  -9.372   2.338
  306    HA   GLU  38           HA       GLU  38  -4.714 -11.570   3.523
  307   1HB   GLU  38          1HB       GLU  38  -3.101 -10.610   4.692
  308   2HB   GLU  38          2HB       GLU  38  -3.130 -10.113   3.264
  309   1HG   GLU  38          1HG       GLU  38  -4.381  -7.951   4.053
  310   2HG   GLU  38          2HG       GLU  38  -4.458  -8.587   5.682
  Start of MODEL   12
    1   1H    TRP   1          1H        TRP   1  -3.945  -1.338 -12.100
    2   2H    TRP   1          2H        TRP   1  -2.883  -2.768 -12.194
    3   3H    TRP   1          3H        TRP   1  -4.538  -2.690 -11.903
    4    HA   TRP   1           HA       TRP   1  -2.398  -1.592 -10.091
    5   1HB   TRP   1          1HB       TRP   1  -3.990  -0.574  -8.483
    6   2HB   TRP   1          2HB       TRP   1  -4.097   0.120 -10.161
    7    HD1  TRP   1           HD1      TRP   1  -6.147  -1.135 -11.829
    8    HE1  TRP   1           HE1      TRP   1  -8.605  -1.312 -11.391
    9    HE3  TRP   1           HE3      TRP   1  -5.847  -0.845  -6.893
   10    HZ2  TRP   1           HZ2      TRP   1 -10.145  -1.139  -9.195
   11    HZ3  TRP   1           HZ3      TRP   1  -8.054  -0.399  -5.706
   12    HH2  TRP   1           HH2      TRP   1 -10.160  -0.761  -6.655
   13    H    LEU   2           H        LEU   2  -3.650  -4.446 -10.860
   14    HA   LEU   2           HA       LEU   2  -4.169  -5.901  -8.134
   15   1HB   LEU   2          1HB       LEU   2  -4.377  -6.769 -11.246
   16   2HB   LEU   2          2HB       LEU   2  -4.188  -7.951  -9.848
   17    HG   LEU   2           HG       LEU   2  -6.420  -6.480  -9.027
   18   1HD1  LEU   2          1HD1      LEU   2  -6.489  -4.659 -10.962
   19   2HD1  LEU   2          2HD1      LEU   2  -8.006  -5.610 -10.800
   20   3HD1  LEU   2          3HD1      LEU   2  -6.527  -6.139 -12.064
   21   1HD2  LEU   2          1HD2      LEU   2  -6.312  -8.560 -10.958
   22   2HD2  LEU   2          2HD2      LEU   2  -7.944  -7.939 -10.529
   23   3HD2  LEU   2          3HD2      LEU   2  -6.676  -8.620  -9.212
   24    H    ILE   3           H        ILE   3  -1.949  -5.478 -10.677
   25    HA   ILE   3           HA       ILE   3   0.116  -7.021  -9.297
   26    HB   ILE   3           HB       ILE   3   0.445  -6.872 -11.964
   27   1HG1  ILE   3          1HG1      ILE   3   2.775  -6.428 -11.962
   28   2HG1  ILE   3          2HG1      ILE   3   2.783  -5.926 -10.329
   29   1HG2  ILE   3          1HG2      ILE   3  -0.370  -4.468 -12.285
   30   2HG2  ILE   3          2HG2      ILE   3   1.313  -4.007 -11.395
   31   3HG2  ILE   3          3HG2      ILE   3   1.368  -4.992 -12.833
   32   1HD1  ILE   3          1HD1      ILE   3   1.782  -8.428  -9.703
   33   2HD1  ILE   3          2HD1      ILE   3   2.668  -8.670 -11.213
   34   3HD1  ILE   3          3HD1      ILE   3   3.660  -8.080  -9.921
   35    H    CYS   4           H        CYS   4  -1.277  -4.076  -9.122
   36    HA   CYS   4           HA       CYS   4   0.986  -2.732  -7.737
   37   1HB   CYS   4          2HB       CYS   4  -0.974  -1.182  -8.658
   38   2HB   CYS   4          1HB       CYS   4  -1.740  -1.682  -7.056
   39    HG   CYS   4           HG       CYS   4  -0.310   0.444  -7.721
   40    H    GLU   5           H        GLU   5  -2.228  -3.363  -6.573
   41    HA   GLU   5           HA       GLU   5  -2.008  -3.056  -3.640
   42   1HB   GLU   5          2HB       GLU   5  -4.084  -3.956  -3.709
   43   2HB   GLU   5          1HB       GLU   5  -4.180  -2.978  -5.149
   44   1HG   GLU   5          1HG       GLU   5  -4.400  -5.276  -6.397
   45   2HG   GLU   5          2HG       GLU   5  -3.970  -6.072  -4.782
   46    H    GLU   6           H        GLU   6  -1.171  -6.342  -5.087
   47    HA   GLU   6           HA       GLU   6  -1.167  -7.184  -2.164
   48   1HB   GLU   6          1HB       GLU   6  -2.484  -8.656  -3.087
   49   2HB   GLU   6          2HB       GLU   6  -1.440  -8.887  -4.673
   50   1HG   GLU   6          2HG       GLU   6  -1.243 -10.955  -3.543
   51   2HG   GLU   6          1HG       GLU   6   0.183 -10.237  -2.911
   52    HA   PRO   7           HA       PRO   7   3.518  -7.858  -2.820
   53   1HB   PRO   7          1HB       PRO   7   4.712  -6.783  -5.289
   54   2HB   PRO   7          2HB       PRO   7   4.463  -8.479  -4.941
   55   1HG   PRO   7          1HG       PRO   7   2.734  -6.683  -6.696
   56   2HG   PRO   7          2HG       PRO   7   2.894  -8.470  -6.651
   57   1HD   PRO   7          1HD       PRO   7   0.803  -6.625  -5.713
   58   2HD   PRO   7          2HD       PRO   7   0.883  -8.457  -5.470
   59    H    THR   8           H        THR   8   3.225  -4.956  -5.002
   60    HA   THR   8           HA       THR   8   5.057  -3.312  -3.626
   61    HB   THR   8           HB       THR   8   2.794  -2.153  -5.366
   62    HG1  THR   8           HG1      THR   8   4.250  -2.721  -6.880
   63   1HG2  THR   8          1HG2      THR   8   5.160  -0.872  -4.293
   64   2HG2  THR   8          2HG2      THR   8   5.283  -1.291  -6.338
   65   3HG2  THR   8          3HG2      THR   8   4.039  -0.456  -5.444
   66    H    CYS   9           H        CYS   9   1.814  -3.220  -3.166
   67    HA   CYS   9           HA       CYS   9   1.878  -1.065  -1.019
   68   1HB   CYS   9          1HB       CYS   9  -0.670  -2.504  -2.106
   69   2HB   CYS   9          2HB       CYS   9  -0.455  -1.241  -0.780
   70    HG   CYS   9           HG       CYS   9  -0.895   0.120  -2.708
   71    H    ARG  10           H        ARG  10   1.186  -4.614  -0.683
   72    HA   ARG  10           HA       ARG  10   1.308  -4.460   1.805
   73   1HB   ARG  10          1HB       ARG  10   0.985  -6.624   0.894
   74   2HB   ARG  10          2HB       ARG  10   2.664  -6.709   0.157
   75   1HG   ARG  10          2HG       ARG  10   3.650  -7.168   2.340
   76   2HG   ARG  10          1HG       ARG  10   1.997  -6.806   3.185
   77   1HD   ARG  10          1HD       ARG  10   1.170  -8.996   1.753
   78   2HD   ARG  10          2HD       ARG  10   2.612  -8.892   1.069
   79    HE   ARG  10           HE       ARG  10   2.187  -9.870   3.865
   80   1HH1  ARG  10          1HH2      ARG  10   4.398  -9.351   1.318
   81   2HH1  ARG  10          2HH2      ARG  10   5.504 -10.712   1.713
   82   1HH2  ARG  10          2HH1      ARG  10   3.570 -11.577   4.362
   83   2HH2  ARG  10          1HH1      ARG  10   4.955 -11.772   3.246
   84    H    ASN  11           H        ASN  11   4.325  -4.150  -0.282
   85    HA   ASN  11           HA       ASN  11   6.154  -4.157   2.094
   86   1HB   ASN  11          1HB       ASN  11   6.838  -3.221  -0.830
   87   2HB   ASN  11          2HB       ASN  11   7.776  -2.745   0.713
   88   1HD2  ASN  11          2HD2      ASN  11   6.735  -5.494  -1.310
   89   2HD2  ASN  11          1HD2      ASN  11   8.400  -6.417  -0.999
   90    H    ARG  12           H        ARG  12   3.998  -1.778   0.483
   91    HA   ARG  12           HA       ARG  12   5.210   0.326   2.012
   92   1HB   ARG  12          2HB       ARG  12   4.172   1.692   0.874
   93   2HB   ARG  12          1HB       ARG  12   3.586   0.566  -0.468
   94   1HG   ARG  12          1HG       ARG  12   1.330   0.303   0.544
   95   2HG   ARG  12          2HG       ARG  12   1.566   1.155   1.920
   96   1HD   ARG  12          1HD       ARG  12   0.561   2.732   0.432
   97   2HD   ARG  12          2HD       ARG  12   2.281   3.236   0.182
   98    HE   ARG  12           HE       ARG  12   0.771   1.993  -1.944
   99   1HH1  ARG  12          1HH1      ARG  12   3.623   3.733  -1.257
  100   2HH1  ARG  12          2HH1      ARG  12   4.267   3.178  -2.894
  101   1HH2  ARG  12          1HH2      ARG  12   1.387   1.488  -3.453
  102   2HH2  ARG  12          2HH2      ARG  12   2.896   1.904  -4.373
  103    H    THR  13           H        THR  13   3.050  -2.060   2.872
  104    HA   THR  13           HA       THR  13   2.132  -0.602   5.310
  105    HB   THR  13           HB       THR  13   2.021  -3.573   4.864
  106    HG1  THR  13           HG1      THR  13   0.041  -1.833   4.239
  107   1HG2  THR  13          1HG2      THR  13   0.860  -1.738   7.270
  108   2HG2  THR  13          2HG2      THR  13  -0.128  -3.060   6.332
  109   3HG2  THR  13          3HG2      THR  13   1.248  -3.333   7.175
  110    H    ARG  14           H        ARG  14   4.745  -2.074   4.371
  111    HA   ARG  14           HA       ARG  14   6.184  -2.447   7.214
  112   1HB   ARG  14          1HB       ARG  14   7.345  -3.292   4.218
  113   2HB   ARG  14          2HB       ARG  14   8.289  -2.905   5.526
  114   1HG   ARG  14          2HG       ARG  14   7.942  -4.641   6.811
  115   2HG   ARG  14          1HG       ARG  14   6.444  -4.728   6.924
  116   1HD   ARG  14          1HD       ARG  14   5.899  -5.804   4.630
  117   2HD   ARG  14          2HD       ARG  14   7.355  -5.457   4.031
  118    HE   ARG  14           HE       ARG  14   8.168  -7.419   5.797
  119   1HH1  ARG  14          1HH1      ARG  14   4.806  -7.071   5.046
  120   2HH1  ARG  14          2HH1      ARG  14   4.715  -8.891   5.177
  121   1HH2  ARG  14          1HH2      ARG  14   8.159  -9.162   5.470
  122   2HH2  ARG  14          2HH2      ARG  14   6.564 -10.020   5.528
  123    H    HIS  15           H        HIS  15   5.454   0.063   4.977
  124    HA   HIS  15           HA       HIS  15   7.446   1.949   5.751
  125   1HB   HIS  15          2HB       HIS  15   5.255   2.967   3.977
  126   2HB   HIS  15          1HB       HIS  15   6.786   3.678   4.506
  127    HD1  HIS  15           HD1      HIS  15   6.019   3.579   1.414
  128    HD2  HIS  15           HD2      HIS  15   8.951   1.159   3.676
  129    HE1  HIS  15           HE1      HIS  15   7.881   2.714  -0.177
  130    HE2  HIS  15           HE2      HIS  15   9.650   1.311   1.214
  131    H    LEU  16           H        LEU  16   4.784   0.656   7.232
  132    HA   LEU  16           HA       LEU  16   3.324   3.206   7.917
  133   1HB   LEU  16          1HB       LEU  16   2.008   0.957   7.304
  134   2HB   LEU  16          2HB       LEU  16   2.852   0.323   8.668
  135    HG   LEU  16           HG       LEU  16   1.060   2.571   9.541
  136   1HD1  LEU  16          1HD2      LEU  16  -0.124   1.945   7.351
  137   2HD1  LEU  16          2HD2      LEU  16  -0.321   0.239   7.726
  138   3HD1  LEU  16          3HD2      LEU  16  -1.340   1.635   8.712
  139   1HD2  LEU  16          1HD1      LEU  16   0.090   1.268  11.076
  140   2HD2  LEU  16          2HD1      LEU  16   0.292  -0.291  10.092
  141   3HD2  LEU  16          3HD1      LEU  16   1.713   0.556  10.741
  142    HA   PRO  17           HA       PRO  17   5.682   2.896  11.761
  143   1HB   PRO  17          1HB       PRO  17   8.260   1.715  11.825
  144   2HB   PRO  17          2HB       PRO  17   6.753   0.723  12.319
  145   1HG   PRO  17          1HG       PRO  17   7.914   0.553   9.586
  146   2HG   PRO  17          2HG       PRO  17   7.317  -0.755  10.680
  147   1HD   PRO  17          1HD       PRO  17   5.660   0.197   8.899
  148   2HD   PRO  17          2HD       PRO  17   5.048  -0.253  10.493
  149    H    LEU  18           H        LEU  18   7.292   3.271   8.687
  150    HA   LEU  18           HA       LEU  18   9.176   5.296   9.974
  151   1HB   LEU  18          2HB       LEU  18  10.102   6.030   7.680
  152   2HB   LEU  18          1HB       LEU  18  10.213   4.373   8.094
  153    HG   LEU  18           HG       LEU  18   8.084   4.154   6.332
  154   1HD1  LEU  18          1HD1      LEU  18   9.525   6.670   5.477
  155   2HD1  LEU  18          2HD1      LEU  18   8.451   6.009   4.377
  156   3HD1  LEU  18          3HD1      LEU  18   7.689   6.548   5.766
  157   1HD2  LEU  18          1HD2      LEU  18  11.129   4.337   5.727
  158   2HD2  LEU  18          2HD2      LEU  18   9.933   3.801   4.488
  159   3HD2  LEU  18          3HD2      LEU  18  10.039   2.946   5.958
  160    H    GLN  19           H        GLN  19   6.068   5.061   8.203
  161    HA   GLN  19           HA       GLN  19   4.287   6.292   7.705
  162   1HB   GLN  19          1HB       GLN  19   4.412   5.933  10.552
  163   2HB   GLN  19          2HB       GLN  19   4.565   7.640  10.533
  164   1HG   GLN  19          2HG       GLN  19   2.347   7.931  10.202
  165   2HG   GLN  19          1HG       GLN  19   2.394   6.875   8.837
  166   1HE2  GLN  19          1HE2      GLN  19   1.506   6.683  12.458
  167   2HE2  GLN  19          2HE2      GLN  19   0.699   5.095  12.091
  168    H    PHE  20           H        PHE  20   6.529   7.693   6.426
  169    HA   PHE  20           HA       PHE  20   5.396  10.445   6.450
  170   1HB   PHE  20          2HB       PHE  20   7.051  11.624   5.963
  171   2HB   PHE  20          1HB       PHE  20   7.487  10.427   7.198
  172    HD1  PHE  20           HD1      PHE  20   9.596   8.928   6.908
  173    HD2  PHE  20           HD2      PHE  20   7.694  10.538   3.280
  174    HE1  PHE  20           HE1      PHE  20  11.754   8.783   5.493
  175    HE2  PHE  20           HE2      PHE  20   9.717  10.303   2.028
  176    HZ   PHE  20           HZ       PHE  20  11.776   9.282   3.155
  177    H    SER  21           H        SER  21   5.600   7.770   4.501
  178    HA   SER  21           HA       SER  21   3.897   9.354   2.172
  179   1HB   SER  21          2HB       SER  21   5.964   8.452   1.470
  180   2HB   SER  21          1HB       SER  21   5.841   6.833   2.204
  181    HG   SER  21           HG       SER  21   3.954   6.807   0.913
  182    H    ARG  22           H        ARG  22   2.725   8.728   4.605
  183    HA   ARG  22           HA       ARG  22   0.797   6.800   4.650
  184   1HB   ARG  22          1HB       ARG  22  -1.099   8.580   5.306
  185   2HB   ARG  22          2HB       ARG  22   0.220   8.027   6.383
  186   1HG   ARG  22          1HG       ARG  22   0.835  10.858   5.045
  187   2HG   ARG  22          2HG       ARG  22  -0.568  10.682   5.972
  188   1HD   ARG  22          1HD       ARG  22   1.300   9.373   7.733
  189   2HD   ARG  22          2HD       ARG  22   2.394  10.282   6.770
  190    HE   ARG  22           HE       ARG  22   0.464  12.375   7.466
  191   1HH1  ARG  22          1HH2      ARG  22   3.084  10.546   8.869
  192   2HH1  ARG  22          2HH2      ARG  22   2.906  11.690  10.292
  193   1HH2  ARG  22          1HH1      ARG  22   0.646  13.454   9.526
  194   2HH2  ARG  22          2HH1      ARG  22   2.223  13.178  10.211
  195    H    THR  23           H        THR  23   0.723   9.432   2.696
  196    HA   THR  23           HA       THR  23  -1.663   8.695   0.927
  197    HB   THR  23           HB       THR  23  -1.463  10.952  -0.292
  198    HG1  THR  23           HG1      THR  23  -0.092  12.463   1.244
  199   1HG2  THR  23          1HG2      THR  23  -2.213  12.528   1.441
  200   2HG2  THR  23          2HG2      THR  23  -2.998  10.948   1.906
  201   3HG2  THR  23          3HG2      THR  23  -1.624  11.577   2.694
  202    H    GLY  24           H        GLY  24   1.828   9.872   0.158
  203   1HA   GLY  24          1HA       GLY  24   3.353   8.830  -1.195
  204   2HA   GLY  24          2HA       GLY  24   2.240   7.354  -1.444
  205    HA   PRO  25           HA       PRO  25   0.417  10.143  -5.004
  206   1HB   PRO  25          1HB       PRO  25   1.762  12.202  -6.223
  207   2HB   PRO  25          2HB       PRO  25   1.199  12.151  -4.587
  208   1HG   PRO  25          1HG       PRO  25   4.178  11.745  -5.498
  209   2HG   PRO  25          2HG       PRO  25   3.420  12.727  -4.128
  210   1HD   PRO  25          1HD       PRO  25   4.358  10.059  -3.633
  211   2HD   PRO  25          2HD       PRO  25   3.384  11.215  -2.665
  212    H    LEU  26           H        LEU  26   1.061   7.795  -5.562
  213    HA   LEU  26           HA       LEU  26   2.106   7.537  -8.406
  214   1HB   LEU  26          2HB       LEU  26   2.723   5.334  -6.208
  215   2HB   LEU  26          1HB       LEU  26   2.867   5.379  -7.903
  216    HG   LEU  26           HG       LEU  26   4.659   6.885  -7.652
  217   1HD1  LEU  26          1HD2      LEU  26   3.703   7.054  -4.756
  218   2HD1  LEU  26          2HD2      LEU  26   4.734   8.256  -5.655
  219   3HD1  LEU  26          3HD2      LEU  26   5.718   7.026  -4.952
  220   1HD2  LEU  26          1HD1      LEU  26   6.407   5.395  -6.705
  221   2HD2  LEU  26          2HD1      LEU  26   5.021   4.464  -7.594
  222   3HD2  LEU  26          3HD1      LEU  26   5.093   4.468  -5.959
  223    H    CYS  27           H        CYS  27   0.504   5.975  -5.865
  224    HA   CYS  27           HA       CYS  27  -1.603   4.745  -7.884
  225   1HB   CYS  27          1HB       CYS  27  -1.943   2.824  -7.079
  226   2HB   CYS  27          2HB       CYS  27  -0.241   2.868  -7.352
  227    HG   CYS  27           HG       CYS  27   0.511   2.345  -5.380
  228    HA   PRO  28           HA       PRO  28  -4.432   7.042  -4.793
  229   1HB   PRO  28          1HB       PRO  28  -6.928   6.787  -6.025
  230   2HB   PRO  28          2HB       PRO  28  -5.458   7.539  -6.848
  231   1HG   PRO  28          1HG       PRO  28  -6.218   4.687  -6.699
  232   2HG   PRO  28          2HG       PRO  28  -6.410   5.491  -8.216
  233   1HD   PRO  28          1HD       PRO  28  -4.056   4.251  -7.590
  234   2HD   PRO  28          2HD       PRO  28  -3.820   5.937  -8.372
  235    H    ALA  29           H        ALA  29  -3.605   5.577  -2.938
  236    HA   ALA  29           HA       ALA  29  -4.424   4.233  -1.080
  237   1HB   ALA  29          1HB       ALA  29  -7.342   5.360  -1.444
  238   2HB   ALA  29          2HB       ALA  29  -6.615   4.560   0.016
  239   3HB   ALA  29          3HB       ALA  29  -6.375   6.285  -0.563
  240    H    CYS  30           H        CYS  30  -3.497   2.776  -2.481
  241    HA   CYS  30           HA       CYS  30  -5.354   0.259  -3.362
  242   1HB   CYS  30          1HB       CYS  30  -3.817   1.377  -4.817
  243   2HB   CYS  30          2HB       CYS  30  -2.426   1.041  -3.778
  244    HG   CYS  30           HG       CYS  30  -1.858  -0.991  -4.932
  245    H    MET  31           H        MET  31  -3.749   1.553  -0.537
  246    HA   MET  31           HA       MET  31  -2.558  -0.918   0.374
  247   1HB   MET  31          2HB       MET  31  -1.751   1.545   0.808
  248   2HB   MET  31          1HB       MET  31  -3.246   1.620   1.722
  249   1HG   MET  31          2HG       MET  31  -0.674   0.036   2.382
  250   2HG   MET  31          1HG       MET  31  -1.059   1.690   2.753
  251   1HE   MET  31          1HE       MET  31  -2.988   2.167   4.622
  252   2HE   MET  31          2HE       MET  31  -3.898   1.361   3.554
  253   3HE   MET  31          3HE       MET  31  -4.009   0.751   5.226
  254    H    LYS  32           H        LYS  32  -5.389   0.472   0.552
  255    HA   LYS  32           HA       LYS  32  -6.656  -0.890   3.060
  256   1HB   LYS  32          1HB       LYS  32  -8.895  -0.264   2.105
  257   2HB   LYS  32          2HB       LYS  32  -8.091   1.068   2.830
  258   1HG   LYS  32          1HG       LYS  32  -7.481   1.478  -0.006
  259   2HG   LYS  32          2HG       LYS  32  -9.128   0.795   0.076
  260   1HD   LYS  32          2HD       LYS  32  -9.696   2.336   2.051
  261   2HD   LYS  32          1HD       LYS  32  -8.315   3.346   1.663
  262   1HE   LYS  32          1HE       LYS  32  -9.338   3.991  -0.520
  263   2HE   LYS  32          2HE       LYS  32 -10.663   2.888  -0.210
  264   1HZ   LYS  32          1HZ       LYS  32  -9.895   5.010   1.728
  265   2HZ   LYS  32          2HZ       LYS  32 -10.812   5.443   0.545
  266   3HZ   LYS  32          3HZ       LYS  32 -11.430   4.191   1.389
  267    H    ALA  33           H        ALA  33  -7.075  -1.003  -0.490
  268    HA   ALA  33           HA       ALA  33  -8.116  -3.633  -0.876
  269   1HB   ALA  33          1HB       ALA  33  -7.673  -1.768  -2.738
  270   2HB   ALA  33          2HB       ALA  33  -5.955  -2.462  -2.797
  271   3HB   ALA  33          3HB       ALA  33  -7.500  -3.293  -3.316
  272    H    THR  34           H        THR  34  -4.810  -3.223  -0.119
  273    HA   THR  34           HA       THR  34  -3.989  -5.990  -0.507
  274    HB   THR  34           HB       THR  34  -2.587  -4.231   1.463
  275    HG1  THR  34           HG1      THR  34  -2.563  -2.968  -0.629
  276   1HG2  THR  34          1HG2      THR  34  -1.816  -6.726   0.039
  277   2HG2  THR  34          2HG2      THR  34  -0.790  -5.452   0.415
  278   3HG2  THR  34          3HG2      THR  34  -1.725  -6.381   1.689
  279    H    LEU  35           H        LEU  35  -5.629  -4.243   1.975
  280    HA   LEU  35           HA       LEU  35  -5.431  -6.095   4.257
  281   1HB   LEU  35          2HB       LEU  35  -6.599  -3.523   3.587
  282   2HB   LEU  35          1HB       LEU  35  -7.323  -4.502   4.878
  283    HG   LEU  35           HG       LEU  35  -4.962  -4.757   5.867
  284   1HD1  LEU  35          1HD1      LEU  35  -4.535  -2.339   4.131
  285   2HD1  LEU  35          2HD1      LEU  35  -3.610  -4.089   4.228
  286   3HD1  LEU  35          3HD1      LEU  35  -3.692  -2.712   5.747
  287   1HD2  LEU  35          1HD2      LEU  35  -6.959  -3.562   6.978
  288   2HD2  LEU  35          2HD2      LEU  35  -5.262  -2.863   7.215
  289   3HD2  LEU  35          3HD2      LEU  35  -6.525  -2.265   6.145
  290    H    GLN  36           H        GLN  36  -7.763  -5.829   1.550
  291    HA   GLN  36           HA       GLN  36  -9.668  -7.838   3.001
  292   1HB   GLN  36          1HB       GLN  36  -9.735  -6.821   0.204
  293   2HB   GLN  36          2HB       GLN  36 -10.882  -8.033   0.577
  294   1HG   GLN  36          1HG       GLN  36 -12.073  -6.567   2.075
  295   2HG   GLN  36          2HG       GLN  36 -10.724  -5.328   2.088
  296   1HE2  GLN  36          2HE2      GLN  36 -13.470  -5.935   0.436
  297   2HE2  GLN  36          1HE2      GLN  36 -12.862  -6.011  -1.316
  298    HA   PRO  37           HA       PRO  37  -7.828 -11.218   0.209
  299   1HB   PRO  37          1HB       PRO  37  -5.261 -10.637  -1.023
  300   2HB   PRO  37          2HB       PRO  37  -6.780 -11.096  -1.656
  301   1HG   PRO  37          1HG       PRO  37  -5.413  -8.608  -1.675
  302   2HG   PRO  37          2HG       PRO  37  -6.929  -8.964  -2.447
  303   1HD   PRO  37          1HD       PRO  37  -6.996  -7.371   0.165
  304   2HD   PRO  37          2HD       PRO  37  -8.235  -7.977  -1.055
  305    H    GLU  38           H        GLU  38  -6.377  -9.598   2.292
  306    HA   GLU  38           HA       GLU  38  -4.932 -11.781   3.508
  307   1HB   GLU  38          1HB       GLU  38  -3.552 -10.833   4.889
  308   2HB   GLU  38          2HB       GLU  38  -3.207  -9.943   3.179
  309   1HG   GLU  38          1HG       GLU  38  -4.283  -7.944   3.988
  310   2HG   GLU  38          2HG       GLU  38  -4.443  -8.356   5.494
  Start of MODEL   13
    1   1H    TRP   1          1H        TRP   1  -3.848  -1.285 -12.324
    2   2H    TRP   1          2H        TRP   1  -3.056  -2.733 -12.316
    3   3H    TRP   1          3H        TRP   1  -4.500  -2.796 -11.778
    4    HA   TRP   1           HA       TRP   1  -2.370  -1.763 -10.005
    5   1HB   TRP   1          1HB       TRP   1  -4.043  -0.583  -8.445
    6   2HB   TRP   1          2HB       TRP   1  -4.098   0.010 -10.153
    7    HD1  TRP   1           HD1      TRP   1  -6.100  -0.868 -11.764
    8    HE1  TRP   1           HE1      TRP   1  -8.873  -0.937 -11.255
    9    HE3  TRP   1           HE3      TRP   1  -5.948  -0.959  -6.786
   10    HZ2  TRP   1           HZ2      TRP   1 -10.331  -1.124  -9.045
   11    HZ3  TRP   1           HZ3      TRP   1  -7.827  -0.503  -5.630
   12    HH2  TRP   1           HH2      TRP   1  -9.948  -0.723  -6.496
   13    H    LEU   2           H        LEU   2  -3.561  -4.601 -10.790
   14    HA   LEU   2           HA       LEU   2  -4.528  -5.857  -8.264
   15   1HB   LEU   2          1HB       LEU   2  -4.072  -6.841 -11.156
   16   2HB   LEU   2          2HB       LEU   2  -4.395  -7.899  -9.886
   17    HG   LEU   2           HG       LEU   2  -6.512  -6.216  -9.113
   18   1HD1  LEU   2          1HD1      LEU   2  -6.434  -4.693 -10.763
   19   2HD1  LEU   2          2HD1      LEU   2  -7.853  -5.837 -11.210
   20   3HD1  LEU   2          3HD1      LEU   2  -6.449  -5.817 -12.183
   21   1HD2  LEU   2          1HD2      LEU   2  -6.660  -8.737 -10.850
   22   2HD2  LEU   2          2HD2      LEU   2  -7.980  -7.820 -10.217
   23   3HD2  LEU   2          3HD2      LEU   2  -7.088  -8.517  -9.183
   24    H    ILE   3           H        ILE   3  -1.979  -5.269 -10.587
   25    HA   ILE   3           HA       ILE   3   0.066  -7.027  -9.478
   26    HB   ILE   3           HB       ILE   3   0.310  -6.936 -11.956
   27   1HG1  ILE   3          1HG1      ILE   3   3.010  -6.599 -11.833
   28   2HG1  ILE   3          2HG1      ILE   3   2.625  -6.029 -10.206
   29   1HG2  ILE   3          1HG2      ILE   3  -0.284  -4.374 -12.105
   30   2HG2  ILE   3          2HG2      ILE   3   1.109  -3.876 -11.277
   31   3HG2  ILE   3          3HG2      ILE   3   1.317  -4.641 -13.027
   32   1HD1  ILE   3          1HD1      ILE   3   1.852  -8.379  -9.633
   33   2HD1  ILE   3          2HD1      ILE   3   2.667  -8.701 -11.126
   34   3HD1  ILE   3          3HD1      ILE   3   3.572  -7.897  -9.810
   35    H    CYS   4           H        CYS   4  -1.188  -4.322  -9.066
   36    HA   CYS   4           HA       CYS   4   0.993  -2.807  -7.511
   37   1HB   CYS   4          2HB       CYS   4  -1.116  -1.480  -8.709
   38   2HB   CYS   4          1HB       CYS   4  -1.639  -1.420  -7.190
   39    HG   CYS   4           HG       CYS   4  -0.299   0.657  -7.392
   40    H    GLU   5           H        GLU   5  -2.176  -3.500  -6.749
   41    HA   GLU   5           HA       GLU   5  -2.081  -2.945  -3.986
   42   1HB   GLU   5          2HB       GLU   5  -4.235  -3.640  -3.796
   43   2HB   GLU   5          1HB       GLU   5  -3.868  -3.060  -5.394
   44   1HG   GLU   5          1HG       GLU   5  -3.862  -5.180  -6.360
   45   2HG   GLU   5          2HG       GLU   5  -4.321  -6.254  -4.867
   46    H    GLU   6           H        GLU   6  -1.850  -6.569  -4.923
   47    HA   GLU   6           HA       GLU   6  -1.135  -7.236  -2.204
   48   1HB   GLU   6          1HB       GLU   6  -2.481  -8.631  -3.409
   49   2HB   GLU   6          2HB       GLU   6  -1.138  -9.056  -4.600
   50   1HG   GLU   6          2HG       GLU   6  -1.074 -10.912  -3.548
   51   2HG   GLU   6          1HG       GLU   6   0.195 -10.115  -2.933
   52    HA   PRO   7           HA       PRO   7   3.526  -7.859  -2.825
   53   1HB   PRO   7          1HB       PRO   7   4.729  -6.890  -5.221
   54   2HB   PRO   7          2HB       PRO   7   4.318  -8.583  -4.783
   55   1HG   PRO   7          1HG       PRO   7   2.994  -6.648  -6.759
   56   2HG   PRO   7          2HG       PRO   7   2.905  -8.497  -6.540
   57   1HD   PRO   7          1HD       PRO   7   0.793  -6.583  -5.751
   58   2HD   PRO   7          2HD       PRO   7   0.762  -8.396  -5.443
   59    H    THR   8           H        THR   8   3.173  -5.013  -5.018
   60    HA   THR   8           HA       THR   8   5.032  -3.297  -3.734
   61    HB   THR   8           HB       THR   8   2.710  -2.227  -5.104
   62    HG1  THR   8           HG1      THR   8   4.479  -3.004  -6.916
   63   1HG2  THR   8          1HG2      THR   8   5.117  -0.914  -4.394
   64   2HG2  THR   8          2HG2      THR   8   5.655  -1.535  -5.888
   65   3HG2  THR   8          3HG2      THR   8   4.029  -0.503  -5.859
   66    H    CYS   9           H        CYS   9   1.818  -3.027  -3.116
   67    HA   CYS   9           HA       CYS   9   1.754  -1.042  -1.237
   68   1HB   CYS   9          1HB       CYS   9  -0.690  -2.469  -1.777
   69   2HB   CYS   9          2HB       CYS   9  -0.491  -1.007  -0.962
   70    HG   CYS   9           HG       CYS   9  -0.525   0.381  -2.792
   71    H    ARG  10           H        ARG  10   1.609  -4.659  -0.918
   72    HA   ARG  10           HA       ARG  10   1.617  -4.758   2.232
   73   1HB   ARG  10          1HB       ARG  10   0.957  -6.766   0.943
   74   2HB   ARG  10          2HB       ARG  10   2.539  -6.855   0.020
   75   1HG   ARG  10          2HG       ARG  10   3.615  -7.112   2.605
   76   2HG   ARG  10          1HG       ARG  10   1.999  -6.824   3.211
   77   1HD   ARG  10          1HD       ARG  10   1.090  -8.649   2.214
   78   2HD   ARG  10          2HD       ARG  10   2.413  -9.027   1.007
   79    HE   ARG  10           HE       ARG  10   2.314  -9.876   3.836
   80   1HH1  ARG  10          1HH2      ARG  10   4.698  -9.184   1.251
   81   2HH1  ARG  10          2HH2      ARG  10   5.551 -10.652   1.700
   82   1HH2  ARG  10          2HH1      ARG  10   3.470 -11.644   4.174
   83   2HH2  ARG  10          1HH1      ARG  10   4.895 -11.901   3.135
   84    H    ASN  11           H        ASN  11   4.348  -4.565  -0.145
   85    HA   ASN  11           HA       ASN  11   6.378  -4.173   2.009
   86   1HB   ASN  11          1HB       ASN  11   6.646  -3.177  -0.758
   87   2HB   ASN  11          2HB       ASN  11   7.978  -2.799   0.384
   88   1HD2  ASN  11          2HD2      ASN  11   6.641  -5.851  -1.406
   89   2HD2  ASN  11          1HD2      ASN  11   8.290  -6.488  -1.154
   90    H    ARG  12           H        ARG  12   4.109  -2.089   0.435
   91    HA   ARG  12           HA       ARG  12   5.176   0.541   1.753
   92   1HB   ARG  12          2HB       ARG  12   3.980   1.892   0.640
   93   2HB   ARG  12          1HB       ARG  12   3.849   0.510  -0.235
   94   1HG   ARG  12          1HG       ARG  12   1.391   0.372   0.502
   95   2HG   ARG  12          2HG       ARG  12   1.760   1.368   2.003
   96   1HD   ARG  12          1HD       ARG  12   0.604   2.969   0.274
   97   2HD   ARG  12          2HD       ARG  12   2.208   3.153   0.530
   98    HE   ARG  12           HE       ARG  12   0.776   1.755  -1.667
   99   1HH1  ARG  12          1HH1      ARG  12   3.559   3.704  -1.167
  100   2HH1  ARG  12          2HH1      ARG  12   4.232   2.858  -2.762
  101   1HH2  ARG  12          1HH2      ARG  12   1.651   1.111  -3.399
  102   2HH2  ARG  12          2HH2      ARG  12   3.125   1.968  -4.138
  103    H    THR  13           H        THR  13   3.037  -2.055   2.990
  104    HA   THR  13           HA       THR  13   2.422  -0.453   5.536
  105    HB   THR  13           HB       THR  13   2.158  -3.452   5.160
  106    HG1  THR  13           HG1      THR  13  -0.070  -2.065   4.401
  107   1HG2  THR  13          1HG2      THR  13   0.780  -1.524   6.939
  108   2HG2  THR  13          2HG2      THR  13  -0.144  -3.082   6.513
  109   3HG2  THR  13          3HG2      THR  13   1.506  -3.347   6.990
  110    H    ARG  14           H        ARG  14   5.082  -2.017   4.470
  111    HA   ARG  14           HA       ARG  14   5.988  -2.355   7.171
  112   1HB   ARG  14          1HB       ARG  14   7.151  -3.130   4.241
  113   2HB   ARG  14          2HB       ARG  14   8.236  -2.806   5.730
  114   1HG   ARG  14          2HG       ARG  14   8.062  -4.921   6.658
  115   2HG   ARG  14          1HG       ARG  14   6.105  -4.515   6.646
  116   1HD   ARG  14          1HD       ARG  14   5.901  -5.502   4.729
  117   2HD   ARG  14          2HD       ARG  14   7.658  -5.572   4.216
  118    HE   ARG  14           HE       ARG  14   8.194  -7.306   5.878
  119   1HH1  ARG  14          1HH1      ARG  14   4.713  -7.211   5.059
  120   2HH1  ARG  14          2HH1      ARG  14   4.794  -9.036   5.211
  121   1HH2  ARG  14          1HH2      ARG  14   8.261  -9.133   5.383
  122   2HH2  ARG  14          2HH2      ARG  14   6.716  -9.983   5.773
  123    H    HIS  15           H        HIS  15   5.502   0.097   4.839
  124    HA   HIS  15           HA       HIS  15   7.579   1.856   5.913
  125   1HB   HIS  15          2HB       HIS  15   5.265   2.932   4.259
  126   2HB   HIS  15          1HB       HIS  15   6.834   3.502   4.804
  127    HD1  HIS  15           HD1      HIS  15   5.881   3.260   1.394
  128    HD2  HIS  15           HD2      HIS  15   8.637   1.115   3.865
  129    HE1  HIS  15           HE1      HIS  15   8.035   2.483  -0.208
  130    HE2  HIS  15           HE2      HIS  15   9.701   1.544   1.238
  131    H    LEU  16           H        LEU  16   4.719   0.561   7.051
  132    HA   LEU  16           HA       LEU  16   2.990   3.101   7.785
  133   1HB   LEU  16          1HB       LEU  16   1.967   1.085   7.283
  134   2HB   LEU  16          2HB       LEU  16   2.430   0.284   8.760
  135    HG   LEU  16           HG       LEU  16   0.978   2.703   9.605
  136   1HD1  LEU  16          1HD2      LEU  16  -0.478   2.218   7.417
  137   2HD1  LEU  16          2HD2      LEU  16  -0.269   0.322   7.939
  138   3HD1  LEU  16          3HD2      LEU  16  -1.128   1.607   9.013
  139   1HD2  LEU  16          1HD1      LEU  16   0.014   1.180  11.193
  140   2HD2  LEU  16          2HD1      LEU  16   0.388  -0.281  10.214
  141   3HD2  LEU  16          3HD1      LEU  16   1.639   0.706  11.163
  142    HA   PRO  17           HA       PRO  17   5.851   2.592  12.075
  143   1HB   PRO  17          1HB       PRO  17   8.308   1.466  12.029
  144   2HB   PRO  17          2HB       PRO  17   6.877   0.640  12.429
  145   1HG   PRO  17          1HG       PRO  17   7.972   0.518   9.422
  146   2HG   PRO  17          2HG       PRO  17   7.476  -0.717  10.559
  147   1HD   PRO  17          1HD       PRO  17   5.748   0.217   8.905
  148   2HD   PRO  17          2HD       PRO  17   5.134  -0.194  10.523
  149    H    LEU  18           H        LEU  18   7.407   3.376   8.697
  150    HA   LEU  18           HA       LEU  18   9.239   5.471   9.857
  151   1HB   LEU  18          2HB       LEU  18   9.864   6.226   7.901
  152   2HB   LEU  18          1HB       LEU  18  10.314   4.354   7.954
  153    HG   LEU  18           HG       LEU  18   8.119   4.175   6.393
  154   1HD1  LEU  18          1HD1      LEU  18   9.484   6.823   5.377
  155   2HD1  LEU  18          2HD1      LEU  18   8.458   5.675   4.431
  156   3HD1  LEU  18          3HD1      LEU  18   7.920   6.681   5.885
  157   1HD2  LEU  18          1HD2      LEU  18  11.086   4.281   5.587
  158   2HD2  LEU  18          2HD2      LEU  18   9.619   3.966   4.533
  159   3HD2  LEU  18          3HD2      LEU  18   9.897   2.906   5.922
  160    H    GLN  19           H        GLN  19   6.165   5.035   8.180
  161    HA   GLN  19           HA       GLN  19   4.144   6.279   7.728
  162   1HB   GLN  19          1HB       GLN  19   4.527   5.822  10.341
  163   2HB   GLN  19          2HB       GLN  19   4.680   7.671  10.455
  164   1HG   GLN  19          2HG       GLN  19   2.518   8.091  10.238
  165   2HG   GLN  19          1HG       GLN  19   2.326   7.206   8.895
  166   1HE2  GLN  19          1HE2      GLN  19   1.673   6.836  12.328
  167   2HE2  GLN  19          2HE2      GLN  19   0.895   4.958  11.756
  168    H    PHE  20           H        PHE  20   6.684   7.872   6.629
  169    HA   PHE  20           HA       PHE  20   5.300  10.564   6.434
  170   1HB   PHE  20          2HB       PHE  20   7.353  11.717   5.924
  171   2HB   PHE  20          1HB       PHE  20   7.592  10.367   7.143
  172    HD1  PHE  20           HD1      PHE  20   9.295   9.081   6.877
  173    HD2  PHE  20           HD2      PHE  20   7.737  10.516   3.235
  174    HE1  PHE  20           HE1      PHE  20  11.696   8.905   5.627
  175    HE2  PHE  20           HE2      PHE  20   9.605  10.101   2.030
  176    HZ   PHE  20           HZ       PHE  20  11.747   9.132   3.267
  177    H    SER  21           H        SER  21   5.722   7.895   4.259
  178    HA   SER  21           HA       SER  21   4.100   9.284   2.055
  179   1HB   SER  21          2HB       SER  21   5.927   8.537   1.384
  180   2HB   SER  21          1HB       SER  21   5.910   7.051   2.237
  181    HG   SER  21           HG       SER  21   3.714   7.057   0.739
  182    H    ARG  22           H        ARG  22   2.811   8.571   4.595
  183    HA   ARG  22           HA       ARG  22   0.652   6.762   4.570
  184   1HB   ARG  22          1HB       ARG  22  -1.002   8.599   5.343
  185   2HB   ARG  22          2HB       ARG  22   0.362   7.995   6.373
  186   1HG   ARG  22          1HG       ARG  22   0.644  10.671   5.001
  187   2HG   ARG  22          2HG       ARG  22  -0.567  10.449   6.282
  188   1HD   ARG  22          1HD       ARG  22   1.151   9.571   7.808
  189   2HD   ARG  22          2HD       ARG  22   2.478  10.485   6.831
  190    HE   ARG  22           HE       ARG  22   0.009  12.047   7.661
  191   1HH1  ARG  22          1HH2      ARG  22   2.987  10.455   8.884
  192   2HH1  ARG  22          2HH2      ARG  22   3.254  11.754  10.090
  193   1HH2  ARG  22          1HH1      ARG  22   0.452  13.454   9.482
  194   2HH2  ARG  22          2HH1      ARG  22   2.226  13.320  10.141
  195    H    THR  23           H        THR  23   0.706   9.337   2.689
  196    HA   THR  23           HA       THR  23  -1.683   8.837   0.858
  197    HB   THR  23           HB       THR  23  -1.362  10.763  -0.385
  198    HG1  THR  23           HG1      THR  23  -0.183  12.459   1.085
  199   1HG2  THR  23          1HG2      THR  23  -2.314  12.404   1.247
  200   2HG2  THR  23          2HG2      THR  23  -3.052  10.816   1.778
  201   3HG2  THR  23          3HG2      THR  23  -1.620  11.490   2.640
  202    H    GLY  24           H        GLY  24   1.872   9.829   0.304
  203   1HA   GLY  24          1HA       GLY  24   3.418   8.576  -1.355
  204   2HA   GLY  24          2HA       GLY  24   2.234   7.299  -1.393
  205    HA   PRO  25           HA       PRO  25   0.276  10.234  -5.023
  206   1HB   PRO  25          1HB       PRO  25   1.996  12.175  -6.418
  207   2HB   PRO  25          2HB       PRO  25   1.290  12.300  -4.793
  208   1HG   PRO  25          1HG       PRO  25   4.136  11.464  -5.570
  209   2HG   PRO  25          2HG       PRO  25   3.798  12.742  -4.435
  210   1HD   PRO  25          1HD       PRO  25   4.427  10.156  -3.726
  211   2HD   PRO  25          2HD       PRO  25   3.230  11.115  -2.620
  212    H    LEU  26           H        LEU  26   1.342   7.986  -5.306
  213    HA   LEU  26           HA       LEU  26   2.385   7.835  -8.266
  214   1HB   LEU  26          2HB       LEU  26   2.559   5.552  -6.183
  215   2HB   LEU  26          1HB       LEU  26   2.956   5.047  -7.782
  216    HG   LEU  26           HG       LEU  26   4.843   7.014  -7.617
  217   1HD1  LEU  26          1HD2      LEU  26   4.125   6.811  -4.608
  218   2HD1  LEU  26          2HD2      LEU  26   4.462   8.248  -5.723
  219   3HD1  LEU  26          3HD2      LEU  26   5.655   7.058  -5.043
  220   1HD2  LEU  26          1HD1      LEU  26   6.458   5.211  -6.591
  221   2HD2  LEU  26          2HD1      LEU  26   5.232   4.399  -7.782
  222   3HD2  LEU  26          3HD1      LEU  26   4.919   4.502  -5.851
  223    H    CYS  27           H        CYS  27   0.793   5.542  -6.021
  224    HA   CYS  27           HA       CYS  27  -1.727   5.138  -7.634
  225   1HB   CYS  27          1HB       CYS  27  -1.846   2.687  -7.287
  226   2HB   CYS  27          2HB       CYS  27  -0.235   3.072  -7.511
  227    HG   CYS  27           HG       CYS  27   0.602   2.055  -5.585
  228    HA   PRO  28           HA       PRO  28  -4.409   7.168  -4.792
  229   1HB   PRO  28          1HB       PRO  28  -6.736   7.221  -6.065
  230   2HB   PRO  28          2HB       PRO  28  -5.160   7.563  -6.846
  231   1HG   PRO  28          1HG       PRO  28  -6.190   4.515  -6.791
  232   2HG   PRO  28          2HG       PRO  28  -6.509   5.509  -8.262
  233   1HD   PRO  28          1HD       PRO  28  -4.154   4.165  -7.727
  234   2HD   PRO  28          2HD       PRO  28  -3.858   5.800  -8.274
  235    H    ALA  29           H        ALA  29  -3.812   5.292  -3.391
  236    HA   ALA  29           HA       ALA  29  -4.220   4.611  -0.874
  237   1HB   ALA  29          1HB       ALA  29  -7.442   5.302  -1.527
  238   2HB   ALA  29          2HB       ALA  29  -6.831   4.590  -0.041
  239   3HB   ALA  29          3HB       ALA  29  -6.040   6.152  -0.331
  240    H    CYS  30           H        CYS  30  -3.599   2.697  -2.683
  241    HA   CYS  30           HA       CYS  30  -5.376   0.365  -3.314
  242   1HB   CYS  30          1HB       CYS  30  -3.568   1.429  -4.813
  243   2HB   CYS  30          2HB       CYS  30  -2.386   0.974  -3.677
  244    HG   CYS  30           HG       CYS  30  -2.079  -0.883  -4.763
  245    H    MET  31           H        MET  31  -3.725   1.543  -0.598
  246    HA   MET  31           HA       MET  31  -2.394  -0.938   0.462
  247   1HB   MET  31          2HB       MET  31  -1.645   1.266   0.647
  248   2HB   MET  31          1HB       MET  31  -2.817   1.872   1.688
  249   1HG   MET  31          2HG       MET  31  -0.647   0.024   2.281
  250   2HG   MET  31          1HG       MET  31  -0.900   1.503   2.926
  251   1HE   MET  31          1HE       MET  31  -3.105   2.000   5.214
  252   2HE   MET  31          2HE       MET  31  -3.965   1.385   3.541
  253   3HE   MET  31          3HE       MET  31  -4.229   0.681   4.989
  254    H    LYS  32           H        LYS  32  -5.591   0.547   0.645
  255    HA   LYS  32           HA       LYS  32  -6.721  -0.751   3.005
  256   1HB   LYS  32          1HB       LYS  32  -8.999  -0.193   1.733
  257   2HB   LYS  32          2HB       LYS  32  -8.138   0.916   2.939
  258   1HG   LYS  32          1HG       LYS  32  -7.460   1.914   0.182
  259   2HG   LYS  32          2HG       LYS  32  -8.925   0.859  -0.038
  260   1HD   LYS  32          2HD       LYS  32  -9.737   2.455   2.088
  261   2HD   LYS  32          1HD       LYS  32  -8.300   3.149   1.763
  262   1HE   LYS  32          1HE       LYS  32  -9.387   3.796  -0.601
  263   2HE   LYS  32          2HE       LYS  32 -10.753   2.871   0.025
  264   1HZ   LYS  32          1HZ       LYS  32 -10.198   4.665   2.054
  265   2HZ   LYS  32          2HZ       LYS  32 -10.499   5.332   0.390
  266   3HZ   LYS  32          3HZ       LYS  32 -11.566   4.377   1.227
  267    H    ALA  33           H        ALA  33  -6.582  -1.004  -0.593
  268    HA   ALA  33           HA       ALA  33  -8.176  -3.494  -0.951
  269   1HB   ALA  33          1HB       ALA  33  -7.576  -1.598  -2.663
  270   2HB   ALA  33          2HB       ALA  33  -6.131  -2.346  -3.006
  271   3HB   ALA  33          3HB       ALA  33  -7.477  -3.410  -3.312
  272    H    THR  34           H        THR  34  -4.863  -3.275  -0.265
  273    HA   THR  34           HA       THR  34  -4.306  -6.139  -0.417
  274    HB   THR  34           HB       THR  34  -2.718  -3.990   1.112
  275    HG1  THR  34           HG1      THR  34  -3.278  -3.398  -0.497
  276   1HG2  THR  34          1HG2      THR  34  -1.789  -6.659  -0.287
  277   2HG2  THR  34          2HG2      THR  34  -0.672  -5.468   0.741
  278   3HG2  THR  34          3HG2      THR  34  -1.964  -6.236   1.615
  279    H    LEU  35           H        LEU  35  -5.732  -4.269   2.015
  280    HA   LEU  35           HA       LEU  35  -5.548  -5.972   4.323
  281   1HB   LEU  35          2HB       LEU  35  -6.714  -3.340   3.816
  282   2HB   LEU  35          1HB       LEU  35  -7.488  -4.233   4.767
  283    HG   LEU  35           HG       LEU  35  -5.376  -4.879   5.978
  284   1HD1  LEU  35          1HD1      LEU  35  -4.484  -2.599   4.134
  285   2HD1  LEU  35          2HD1      LEU  35  -3.378  -3.974   4.414
  286   3HD1  LEU  35          3HD1      LEU  35  -3.373  -2.775   5.444
  287   1HD2  LEU  35          1HD2      LEU  35  -6.906  -3.490   7.022
  288   2HD2  LEU  35          2HD2      LEU  35  -5.252  -2.923   7.275
  289   3HD2  LEU  35          3HD2      LEU  35  -6.087  -2.017   6.095
  290    H    GLN  36           H        GLN  36  -8.095  -5.717   1.519
  291    HA   GLN  36           HA       GLN  36  -9.804  -7.811   2.891
  292   1HB   GLN  36          1HB       GLN  36  -9.648  -6.734   0.154
  293   2HB   GLN  36          2HB       GLN  36 -10.837  -7.996   0.634
  294   1HG   GLN  36          1HG       GLN  36 -12.085  -6.743   2.053
  295   2HG   GLN  36          2HG       GLN  36 -10.958  -5.374   2.343
  296   1HE2  GLN  36          2HE2      GLN  36 -13.617  -5.911   0.389
  297   2HE2  GLN  36          1HE2      GLN  36 -13.031  -6.143  -1.227
  298    HA   PRO  37           HA       PRO  37  -7.698 -11.388   0.165
  299   1HB   PRO  37          1HB       PRO  37  -5.350 -10.741  -1.093
  300   2HB   PRO  37          2HB       PRO  37  -6.959 -10.950  -1.763
  301   1HG   PRO  37          1HG       PRO  37  -5.430  -8.351  -1.554
  302   2HG   PRO  37          2HG       PRO  37  -6.909  -8.909  -2.521
  303   1HD   PRO  37          1HD       PRO  37  -6.666  -7.601   0.133
  304   2HD   PRO  37          2HD       PRO  37  -8.179  -7.769  -0.727
  305    H    GLU  38           H        GLU  38  -6.004  -9.322   2.226
  306    HA   GLU  38           HA       GLU  38  -4.715 -12.006   3.371
  307   1HB   GLU  38          1HB       GLU  38  -3.384 -10.600   4.943
  308   2HB   GLU  38          2HB       GLU  38  -2.745 -10.268   3.453
  309   1HG   GLU  38          1HG       GLU  38  -4.283  -8.033   3.703
  310   2HG   GLU  38          2HG       GLU  38  -4.422  -8.584   5.396
  Start of MODEL   14
    1   1H    TRP   1          1H        TRP   1  -3.848  -1.171 -12.039
    2   2H    TRP   1          2H        TRP   1  -2.895  -2.560 -11.961
    3   3H    TRP   1          3H        TRP   1  -4.690  -2.544 -12.083
    4    HA   TRP   1           HA       TRP   1  -2.408  -1.904 -10.052
    5   1HB   TRP   1          1HB       TRP   1  -4.150  -0.890  -8.442
    6   2HB   TRP   1          2HB       TRP   1  -4.259   0.045  -9.970
    7    HD1  TRP   1           HD1      TRP   1  -6.358  -0.603 -11.783
    8    HE1  TRP   1           HE1      TRP   1  -8.732  -0.680 -11.292
    9    HE3  TRP   1           HE3      TRP   1  -6.012  -0.845  -6.701
   10    HZ2  TRP   1           HZ2      TRP   1 -10.298  -1.319  -9.108
   11    HZ3  TRP   1           HZ3      TRP   1  -8.197  -0.247  -5.553
   12    HH2  TRP   1           HH2      TRP   1 -10.418  -0.764  -7.007
   13    H    LEU   2           H        LEU   2  -3.709  -4.425 -10.837
   14    HA   LEU   2           HA       LEU   2  -4.207  -5.681  -8.070
   15   1HB   LEU   2          1HB       LEU   2  -4.303  -6.793 -11.146
   16   2HB   LEU   2          2HB       LEU   2  -4.435  -7.774  -9.611
   17    HG   LEU   2           HG       LEU   2  -6.437  -6.145  -9.109
   18   1HD1  LEU   2          1HD1      LEU   2  -6.578  -4.672 -10.790
   19   2HD1  LEU   2          2HD1      LEU   2  -7.691  -5.688 -11.406
   20   3HD1  LEU   2          3HD1      LEU   2  -5.974  -5.747 -12.076
   21   1HD2  LEU   2          1HD2      LEU   2  -6.803  -8.718 -10.751
   22   2HD2  LEU   2          2HD2      LEU   2  -8.130  -7.796 -10.223
   23   3HD2  LEU   2          3HD2      LEU   2  -6.802  -8.454  -9.035
   24    H    ILE   3           H        ILE   3  -1.956  -5.445 -10.878
   25    HA   ILE   3           HA       ILE   3   0.106  -6.857  -9.324
   26    HB   ILE   3           HB       ILE   3   0.205  -6.915 -11.884
   27   1HG1  ILE   3          1HG1      ILE   3   2.711  -6.453 -11.990
   28   2HG1  ILE   3          2HG1      ILE   3   2.830  -5.777 -10.411
   29   1HG2  ILE   3          1HG2      ILE   3  -0.229  -4.525 -12.276
   30   2HG2  ILE   3          2HG2      ILE   3   1.463  -3.997 -11.308
   31   3HG2  ILE   3          3HG2      ILE   3   1.355  -4.616 -12.968
   32   1HD1  ILE   3          1HD1      ILE   3   1.717  -8.174  -9.604
   33   2HD1  ILE   3          2HD1      ILE   3   2.553  -8.854 -11.034
   34   3HD1  ILE   3          3HD1      ILE   3   3.452  -7.899  -9.745
   35    H    CYS   4           H        CYS   4  -1.228  -4.135  -8.840
   36    HA   CYS   4           HA       CYS   4   1.088  -2.889  -7.424
   37   1HB   CYS   4          2HB       CYS   4  -0.587  -1.576  -8.841
   38   2HB   CYS   4          1HB       CYS   4  -1.713  -1.714  -7.381
   39    HG   CYS   4           HG       CYS   4  -0.260   0.635  -7.082
   40    H    GLU   5           H        GLU   5  -2.308  -3.542  -6.562
   41    HA   GLU   5           HA       GLU   5  -1.865  -3.245  -3.843
   42   1HB   GLU   5          2HB       GLU   5  -4.140  -3.543  -3.758
   43   2HB   GLU   5          1HB       GLU   5  -4.031  -3.222  -5.338
   44   1HG   GLU   5          1HG       GLU   5  -3.849  -5.480  -6.252
   45   2HG   GLU   5          2HG       GLU   5  -4.128  -6.138  -4.674
   46    H    GLU   6           H        GLU   6  -2.057  -6.494  -4.896
   47    HA   GLU   6           HA       GLU   6  -1.179  -7.313  -2.134
   48   1HB   GLU   6          1HB       GLU   6  -2.396  -8.872  -3.598
   49   2HB   GLU   6          2HB       GLU   6  -1.059  -8.892  -4.691
   50   1HG   GLU   6          2HG       GLU   6  -1.028 -10.760  -3.640
   51   2HG   GLU   6          1HG       GLU   6   0.365 -10.051  -2.790
   52    HA   PRO   7           HA       PRO   7   3.403  -7.933  -2.895
   53   1HB   PRO   7          1HB       PRO   7   4.753  -7.174  -5.279
   54   2HB   PRO   7          2HB       PRO   7   4.061  -8.715  -4.855
   55   1HG   PRO   7          1HG       PRO   7   2.979  -6.606  -6.743
   56   2HG   PRO   7          2HG       PRO   7   2.701  -8.426  -6.769
   57   1HD   PRO   7          1HD       PRO   7   0.730  -6.626  -5.786
   58   2HD   PRO   7          2HD       PRO   7   0.930  -8.402  -5.438
   59    H    THR   8           H        THR   8   3.103  -4.917  -4.901
   60    HA   THR   8           HA       THR   8   5.061  -3.620  -3.763
   61    HB   THR   8           HB       THR   8   2.631  -2.091  -5.116
   62    HG1  THR   8           HG1      THR   8   4.628  -3.205  -6.704
   63   1HG2  THR   8          1HG2      THR   8   4.543  -0.695  -4.449
   64   2HG2  THR   8          2HG2      THR   8   5.597  -1.629  -5.641
   65   3HG2  THR   8          3HG2      THR   8   4.289  -0.477  -6.111
   66    H    CYS   9           H        CYS   9   2.021  -3.152  -3.179
   67    HA   CYS   9           HA       CYS   9   1.909  -1.090  -0.801
   68   1HB   CYS   9          1HB       CYS   9  -0.670  -2.407  -1.899
   69   2HB   CYS   9          2HB       CYS   9  -0.448  -1.051  -0.750
   70    HG   CYS   9           HG       CYS   9  -0.029   0.565  -2.673
   71    H    ARG  10           H        ARG  10   1.788  -4.335  -0.970
   72    HA   ARG  10           HA       ARG  10   1.340  -4.615   1.959
   73   1HB   ARG  10          1HB       ARG  10   1.020  -6.755   0.550
   74   2HB   ARG  10          2HB       ARG  10   2.877  -6.866   0.324
   75   1HG   ARG  10          2HG       ARG  10   3.596  -6.968   2.627
   76   2HG   ARG  10          1HG       ARG  10   1.833  -6.854   3.039
   77   1HD   ARG  10          1HD       ARG  10   1.132  -8.785   2.427
   78   2HD   ARG  10          2HD       ARG  10   2.140  -9.046   1.045
   79    HE   ARG  10           HE       ARG  10   2.339  -9.895   3.734
   80   1HH1  ARG  10          1HH2      ARG  10   4.717  -9.071   1.397
   81   2HH1  ARG  10          2HH2      ARG  10   5.545 -10.605   1.892
   82   1HH2  ARG  10          2HH1      ARG  10   3.396 -11.611   4.075
   83   2HH2  ARG  10          1HH1      ARG  10   4.960 -12.020   3.333
   84    H    ASN  11           H        ASN  11   4.562  -4.572  -0.139
   85    HA   ASN  11           HA       ASN  11   6.173  -4.067   2.226
   86   1HB   ASN  11          1HB       ASN  11   6.480  -3.508  -0.923
   87   2HB   ASN  11          2HB       ASN  11   7.503  -2.524   0.354
   88   1HD2  ASN  11          2HD2      ASN  11   6.536  -5.751  -1.186
   89   2HD2  ASN  11          1HD2      ASN  11   8.269  -6.587  -1.134
   90    H    ARG  12           H        ARG  12   3.851  -1.955   0.535
   91    HA   ARG  12           HA       ARG  12   5.329   0.310   1.929
   92   1HB   ARG  12          2HB       ARG  12   4.085   1.903   0.951
   93   2HB   ARG  12          1HB       ARG  12   3.612   0.633  -0.250
   94   1HG   ARG  12          1HG       ARG  12   1.408   0.339   0.805
   95   2HG   ARG  12          2HG       ARG  12   1.768   1.587   1.909
   96   1HD   ARG  12          1HD       ARG  12   0.589   2.621   0.595
   97   2HD   ARG  12          2HD       ARG  12   2.271   3.463   0.169
   98    HE   ARG  12           HE       ARG  12   0.901   1.495  -1.777
   99   1HH1  ARG  12          1HH1      ARG  12   3.659   3.552  -1.037
  100   2HH1  ARG  12          2HH1      ARG  12   4.502   3.124  -2.580
  101   1HH2  ARG  12          1HH2      ARG  12   1.850   0.995  -3.602
  102   2HH2  ARG  12          2HH2      ARG  12   3.323   2.050  -3.857
  103    H    THR  13           H        THR  13   2.775  -1.887   2.901
  104    HA   THR  13           HA       THR  13   2.227  -0.410   5.285
  105    HB   THR  13           HB       THR  13   2.100  -3.552   4.880
  106    HG1  THR  13           HG1      THR  13  -0.192  -2.353   4.359
  107   1HG2  THR  13          1HG2      THR  13   0.572  -1.520   6.525
  108   2HG2  THR  13          2HG2      THR  13  -0.148  -3.039   6.177
  109   3HG2  THR  13          3HG2      THR  13   1.377  -2.948   7.427
  110    H    ARG  14           H        ARG  14   4.688  -2.293   4.496
  111    HA   ARG  14           HA       ARG  14   6.162  -2.412   7.250
  112   1HB   ARG  14          1HB       ARG  14   7.137  -3.096   4.434
  113   2HB   ARG  14          2HB       ARG  14   8.329  -2.774   5.674
  114   1HG   ARG  14          2HG       ARG  14   7.850  -4.703   6.929
  115   2HG   ARG  14          1HG       ARG  14   6.231  -4.795   6.807
  116   1HD   ARG  14          1HD       ARG  14   5.986  -5.751   4.461
  117   2HD   ARG  14          2HD       ARG  14   7.707  -5.421   4.330
  118    HE   ARG  14           HE       ARG  14   8.298  -7.091   5.673
  119   1HH1  ARG  14          1HH1      ARG  14   4.694  -7.331   5.385
  120   2HH1  ARG  14          2HH1      ARG  14   4.638  -9.136   5.343
  121   1HH2  ARG  14          1HH2      ARG  14   8.271  -9.044   5.538
  122   2HH2  ARG  14          2HH2      ARG  14   6.792 -10.076   5.710
  123    H    HIS  15           H        HIS  15   5.638  -0.163   4.852
  124    HA   HIS  15           HA       HIS  15   7.718   1.768   5.876
  125   1HB   HIS  15          2HB       HIS  15   5.379   2.750   3.967
  126   2HB   HIS  15          1HB       HIS  15   6.689   3.688   4.481
  127    HD1  HIS  15           HD1      HIS  15   5.862   2.998   1.399
  128    HD2  HIS  15           HD2      HIS  15   8.943   0.975   3.596
  129    HE1  HIS  15           HE1      HIS  15   7.841   2.654  -0.076
  130    HE2  HIS  15           HE2      HIS  15   9.846   1.539   1.395
  131    H    LEU  16           H        LEU  16   4.880   0.533   7.205
  132    HA   LEU  16           HA       LEU  16   3.207   3.252   7.661
  133   1HB   LEU  16          1HB       LEU  16   1.944   1.163   7.391
  134   2HB   LEU  16          2HB       LEU  16   2.441   0.209   8.524
  135    HG   LEU  16           HG       LEU  16   1.160   2.871   9.304
  136   1HD1  LEU  16          1HD2      LEU  16  -0.217   2.433   7.521
  137   2HD1  LEU  16          2HD2      LEU  16  -0.290   0.718   7.708
  138   3HD1  LEU  16          3HD2      LEU  16  -1.257   1.704   8.854
  139   1HD2  LEU  16          1HD1      LEU  16  -0.089   1.227  11.061
  140   2HD2  LEU  16          2HD1      LEU  16   0.756  -0.289  10.423
  141   3HD2  LEU  16          3HD1      LEU  16   1.699   0.891  11.323
  142    HA   PRO  17           HA       PRO  17   5.624   2.732  12.025
  143   1HB   PRO  17          1HB       PRO  17   8.339   1.566  11.681
  144   2HB   PRO  17          2HB       PRO  17   6.661   0.764  12.325
  145   1HG   PRO  17          1HG       PRO  17   8.047   0.997   9.634
  146   2HG   PRO  17          2HG       PRO  17   7.571  -0.707  10.395
  147   1HD   PRO  17          1HD       PRO  17   5.479   0.134   8.808
  148   2HD   PRO  17          2HD       PRO  17   5.025  -0.006  10.522
  149    H    LEU  18           H        LEU  18   7.381   3.079   9.096
  150    HA   LEU  18           HA       LEU  18   8.940   5.571   9.935
  151   1HB   LEU  18          2HB       LEU  18   9.783   6.215   7.724
  152   2HB   LEU  18          1HB       LEU  18  10.384   4.748   8.266
  153    HG   LEU  18           HG       LEU  18   8.087   4.311   6.505
  154   1HD1  LEU  18          1HD1      LEU  18   9.709   6.568   5.144
  155   2HD1  LEU  18          2HD1      LEU  18   8.259   5.733   4.546
  156   3HD1  LEU  18          3HD1      LEU  18   7.961   6.670   5.800
  157   1HD2  LEU  18          1HD2      LEU  18  10.950   4.336   5.529
  158   2HD2  LEU  18          2HD2      LEU  18   9.586   3.784   4.497
  159   3HD2  LEU  18          3HD2      LEU  18   9.896   2.927   5.988
  160    H    GLN  19           H        GLN  19   5.934   5.029   8.024
  161    HA   GLN  19           HA       GLN  19   4.032   6.397   7.675
  162   1HB   GLN  19          1HB       GLN  19   4.221   5.843  10.375
  163   2HB   GLN  19          2HB       GLN  19   4.852   7.501  10.472
  164   1HG   GLN  19          2HG       GLN  19   2.443   7.941  10.674
  165   2HG   GLN  19          1HG       GLN  19   2.175   7.496   8.980
  166   1HE2  GLN  19          1HE2      GLN  19   1.807   6.879  12.324
  167   2HE2  GLN  19          2HE2      GLN  19   0.971   5.176  12.419
  168    H    PHE  20           H        PHE  20   6.614   7.861   6.753
  169    HA   PHE  20           HA       PHE  20   5.136  10.563   6.580
  170   1HB   PHE  20          2HB       PHE  20   7.182  11.621   5.769
  171   2HB   PHE  20          1HB       PHE  20   7.520  10.541   7.150
  172    HD1  PHE  20           HD1      PHE  20   9.878   9.334   6.894
  173    HD2  PHE  20           HD2      PHE  20   7.671  10.522   3.406
  174    HE1  PHE  20           HE1      PHE  20  11.609   8.755   5.724
  175    HE2  PHE  20           HE2      PHE  20   9.912  10.101   1.960
  176    HZ   PHE  20           HZ       PHE  20  11.828   9.464   3.193
  177    H    SER  21           H        SER  21   5.742   8.038   4.253
  178    HA   SER  21           HA       SER  21   3.703   9.401   2.346
  179   1HB   SER  21          2HB       SER  21   5.771   8.583   1.296
  180   2HB   SER  21          1HB       SER  21   5.966   7.105   2.129
  181    HG   SER  21           HG       SER  21   3.660   7.300   0.540
  182    H    ARG  22           H        ARG  22   2.787   8.695   4.516
  183    HA   ARG  22           HA       ARG  22   0.969   6.862   4.596
  184   1HB   ARG  22          1HB       ARG  22  -0.883   8.357   5.412
  185   2HB   ARG  22          2HB       ARG  22   0.521   7.898   6.317
  186   1HG   ARG  22          1HG       ARG  22   0.532  10.540   5.006
  187   2HG   ARG  22          2HG       ARG  22  -0.665  10.305   6.145
  188   1HD   ARG  22          1HD       ARG  22   1.556   9.525   7.654
  189   2HD   ARG  22          2HD       ARG  22   2.393  10.411   6.552
  190    HE   ARG  22           HE       ARG  22  -0.038  11.776   7.919
  191   1HH1  ARG  22          1HH2      ARG  22   2.797  10.329   8.954
  192   2HH1  ARG  22          2HH2      ARG  22   3.513  11.683   9.951
  193   1HH2  ARG  22          1HH1      ARG  22   0.506  13.670   9.269
  194   2HH2  ARG  22          2HH1      ARG  22   1.807  13.595  10.401
  195    H    THR  23           H        THR  23   0.417   9.658   2.832
  196    HA   THR  23           HA       THR  23  -1.671   8.690   0.914
  197    HB   THR  23           HB       THR  23  -1.467  10.851  -0.308
  198    HG1  THR  23           HG1      THR  23  -0.347  12.328   0.898
  199   1HG2  THR  23          1HG2      THR  23  -2.473  12.299   1.230
  200   2HG2  THR  23          2HG2      THR  23  -2.992  10.581   1.546
  201   3HG2  THR  23          3HG2      THR  23  -1.732  11.437   2.616
  202    H    GLY  24           H        GLY  24   1.896   9.745   0.434
  203   1HA   GLY  24          1HA       GLY  24   3.348   8.873  -1.498
  204   2HA   GLY  24          2HA       GLY  24   2.038   7.413  -1.556
  205    HA   PRO  25           HA       PRO  25   0.373  10.395  -4.981
  206   1HB   PRO  25          1HB       PRO  25   2.146  11.959  -6.508
  207   2HB   PRO  25          2HB       PRO  25   1.538  12.715  -4.966
  208   1HG   PRO  25          1HG       PRO  25   4.150  11.149  -5.594
  209   2HG   PRO  25          2HG       PRO  25   3.738  12.757  -4.641
  210   1HD   PRO  25          1HD       PRO  25   4.405  10.109  -3.584
  211   2HD   PRO  25          2HD       PRO  25   3.459  11.251  -2.612
  212    H    LEU  26           H        LEU  26   1.703   7.745  -5.425
  213    HA   LEU  26           HA       LEU  26   2.112   7.473  -8.507
  214   1HB   LEU  26          2HB       LEU  26   2.546   5.501  -6.154
  215   2HB   LEU  26          1HB       LEU  26   2.700   5.120  -7.903
  216    HG   LEU  26           HG       LEU  26   4.826   6.920  -7.819
  217   1HD1  LEU  26          1HD2      LEU  26   4.148   6.604  -4.793
  218   2HD1  LEU  26          2HD2      LEU  26   4.216   8.080  -5.610
  219   3HD1  LEU  26          3HD2      LEU  26   5.742   7.194  -5.628
  220   1HD2  LEU  26          1HD1      LEU  26   6.405   5.230  -6.524
  221   2HD2  LEU  26          2HD1      LEU  26   5.354   4.276  -7.743
  222   3HD2  LEU  26          3HD1      LEU  26   4.935   4.099  -6.015
  223    H    CYS  27           H        CYS  27   0.643   5.324  -5.976
  224    HA   CYS  27           HA       CYS  27  -1.786   4.977  -7.706
  225   1HB   CYS  27          1HB       CYS  27  -1.966   2.865  -7.477
  226   2HB   CYS  27          2HB       CYS  27  -0.017   3.031  -7.353
  227    HG   CYS  27           HG       CYS  27   0.347   1.678  -5.363
  228    HA   PRO  28           HA       PRO  28  -4.070   7.282  -4.827
  229   1HB   PRO  28          1HB       PRO  28  -6.538   7.223  -5.834
  230   2HB   PRO  28          2HB       PRO  28  -5.290   7.452  -7.214
  231   1HG   PRO  28          1HG       PRO  28  -6.480   4.668  -6.716
  232   2HG   PRO  28          2HG       PRO  28  -6.114   5.653  -8.365
  233   1HD   PRO  28          1HD       PRO  28  -3.979   4.049  -7.481
  234   2HD   PRO  28          2HD       PRO  28  -4.063   5.645  -8.305
  235    H    ALA  29           H        ALA  29  -3.723   5.191  -3.029
  236    HA   ALA  29           HA       ALA  29  -4.264   4.610  -0.829
  237   1HB   ALA  29          1HB       ALA  29  -7.097   5.644  -1.770
  238   2HB   ALA  29          2HB       ALA  29  -6.702   4.435  -0.083
  239   3HB   ALA  29          3HB       ALA  29  -5.983   6.109  -0.529
  240    H    CYS  30           H        CYS  30  -3.672   2.845  -2.826
  241    HA   CYS  30           HA       CYS  30  -5.300   0.349  -3.421
  242   1HB   CYS  30          1HB       CYS  30  -3.290   1.637  -4.765
  243   2HB   CYS  30          2HB       CYS  30  -2.255   0.657  -3.661
  244    HG   CYS  30           HG       CYS  30  -2.060  -1.083  -4.833
  245    H    MET  31           H        MET  31  -3.714   1.415  -0.603
  246    HA   MET  31           HA       MET  31  -2.477  -0.999   0.258
  247   1HB   MET  31          2HB       MET  31  -1.498   1.297   0.706
  248   2HB   MET  31          1HB       MET  31  -3.006   1.780   1.349
  249   1HG   MET  31          2HG       MET  31  -0.584  -0.220   2.353
  250   2HG   MET  31          1HG       MET  31  -0.881   1.505   2.723
  251   1HE   MET  31          1HE       MET  31  -3.285   1.999   5.362
  252   2HE   MET  31          2HE       MET  31  -3.767   1.847   3.701
  253   3HE   MET  31          3HE       MET  31  -4.250   0.445   4.943
  254    H    LYS  32           H        LYS  32  -5.310   0.749   0.875
  255    HA   LYS  32           HA       LYS  32  -6.749  -1.101   2.843
  256   1HB   LYS  32          1HB       LYS  32  -8.982  -0.176   2.143
  257   2HB   LYS  32          2HB       LYS  32  -8.002   0.956   2.926
  258   1HG   LYS  32          1HG       LYS  32  -7.204   1.825   0.503
  259   2HG   LYS  32          2HG       LYS  32  -8.703   1.088  -0.156
  260   1HD   LYS  32          2HD       LYS  32  -9.763   2.182   2.124
  261   2HD   LYS  32          1HD       LYS  32  -8.428   3.373   1.845
  262   1HE   LYS  32          1HE       LYS  32  -9.318   3.792  -0.455
  263   2HE   LYS  32          2HE       LYS  32 -10.714   2.757  -0.136
  264   1HZ   LYS  32          1HZ       LYS  32 -10.293   4.676   2.108
  265   2HZ   LYS  32          2HZ       LYS  32 -10.246   5.520   0.808
  266   3HZ   LYS  32          3HZ       LYS  32 -11.571   4.583   0.907
  267    H    ALA  33           H        ALA  33  -6.181  -1.289  -0.329
  268    HA   ALA  33           HA       ALA  33  -8.126  -3.561  -0.816
  269   1HB   ALA  33          1HB       ALA  33  -7.806  -1.656  -2.856
  270   2HB   ALA  33          2HB       ALA  33  -6.062  -2.481  -2.900
  271   3HB   ALA  33          3HB       ALA  33  -7.589  -3.431  -3.245
  272    H    THR  34           H        THR  34  -4.854  -3.278  -0.388
  273    HA   THR  34           HA       THR  34  -4.138  -6.220  -0.589
  274    HB   THR  34           HB       THR  34  -2.693  -4.499   1.339
  275    HG1  THR  34           HG1      THR  34  -3.335  -3.683  -1.119
  276   1HG2  THR  34          1HG2      THR  34  -1.504  -6.578  -0.303
  277   2HG2  THR  34          2HG2      THR  34  -0.668  -5.430   0.720
  278   3HG2  THR  34          3HG2      THR  34  -1.858  -6.706   1.345
  279    H    LEU  35           H        LEU  35  -5.375  -4.162   2.075
  280    HA   LEU  35           HA       LEU  35  -5.599  -5.969   4.326
  281   1HB   LEU  35          2HB       LEU  35  -6.621  -3.281   3.657
  282   2HB   LEU  35          1HB       LEU  35  -7.629  -4.393   4.909
  283    HG   LEU  35           HG       LEU  35  -5.325  -4.928   6.059
  284   1HD1  LEU  35          1HD1      LEU  35  -4.351  -2.569   4.290
  285   2HD1  LEU  35          2HD1      LEU  35  -3.664  -4.357   4.454
  286   3HD1  LEU  35          3HD1      LEU  35  -3.725  -3.035   5.964
  287   1HD2  LEU  35          1HD2      LEU  35  -7.033  -3.109   6.828
  288   2HD2  LEU  35          2HD2      LEU  35  -5.324  -2.946   7.442
  289   3HD2  LEU  35          3HD2      LEU  35  -6.073  -1.900   6.084
  290    H    GLN  36           H        GLN  36  -8.308  -5.631   1.783
  291    HA   GLN  36           HA       GLN  36  -9.692  -7.784   3.000
  292   1HB   GLN  36          1HB       GLN  36  -9.645  -6.668   0.121
  293   2HB   GLN  36          2HB       GLN  36 -10.611  -7.980   0.515
  294   1HG   GLN  36          1HG       GLN  36 -12.163  -6.748   2.056
  295   2HG   GLN  36          2HG       GLN  36 -10.906  -5.487   2.330
  296   1HE2  GLN  36          2HE2      GLN  36 -13.777  -5.949   0.447
  297   2HE2  GLN  36          1HE2      GLN  36 -12.899  -5.894  -1.237
  298    HA   PRO  37           HA       PRO  37  -7.697 -11.498   0.085
  299   1HB   PRO  37          1HB       PRO  37  -5.344 -10.945  -1.443
  300   2HB   PRO  37          2HB       PRO  37  -7.018 -10.832  -2.059
  301   1HG   PRO  37          1HG       PRO  37  -5.400  -8.512  -1.193
  302   2HG   PRO  37          2HG       PRO  37  -6.701  -8.510  -2.620
  303   1HD   PRO  37          1HD       PRO  37  -6.615  -7.673   0.202
  304   2HD   PRO  37          2HD       PRO  37  -7.942  -7.723  -0.879
  305    H    GLU  38           H        GLU  38  -5.630  -9.217   2.112
  306    HA   GLU  38           HA       GLU  38  -4.568 -11.913   3.182
  307   1HB   GLU  38          1HB       GLU  38  -3.274 -10.629   4.934
  308   2HB   GLU  38          2HB       GLU  38  -2.769 -10.439   3.093
  309   1HG   GLU  38          1HG       GLU  38  -4.462  -7.962   3.682
  310   2HG   GLU  38          2HG       GLU  38  -4.630  -8.750   5.084
  Start of MODEL   15
    1   1H    TRP   1          1H        TRP   1  -3.707  -1.148 -11.878
    2   2H    TRP   1          2H        TRP   1  -3.048  -2.562 -12.106
    3   3H    TRP   1          3H        TRP   1  -4.631  -2.526 -12.124
    4    HA   TRP   1           HA       TRP   1  -2.752  -1.438 -10.036
    5   1HB   TRP   1          1HB       TRP   1  -4.433  -0.925  -8.452
    6   2HB   TRP   1          2HB       TRP   1  -4.203  -0.039  -9.980
    7    HD1  TRP   1           HD1      TRP   1  -6.536  -0.574 -11.873
    8    HE1  TRP   1           HE1      TRP   1  -8.879  -0.701 -11.319
    9    HE3  TRP   1           HE3      TRP   1  -6.080  -0.796  -6.642
   10    HZ2  TRP   1           HZ2      TRP   1 -10.618  -1.172  -9.049
   11    HZ3  TRP   1           HZ3      TRP   1  -8.293  -0.189  -5.538
   12    HH2  TRP   1           HH2      TRP   1 -10.343  -0.359  -6.713
   13    H    LEU   2           H        LEU   2  -3.839  -4.154 -10.820
   14    HA   LEU   2           HA       LEU   2  -4.605  -5.648  -8.345
   15   1HB   LEU   2          1HB       LEU   2  -4.231  -6.885 -10.946
   16   2HB   LEU   2          2HB       LEU   2  -4.402  -7.821  -9.492
   17    HG   LEU   2           HG       LEU   2  -6.699  -6.172  -9.118
   18   1HD1  LEU   2          1HD1      LEU   2  -6.470  -4.640 -10.887
   19   2HD1  LEU   2          2HD1      LEU   2  -7.502  -5.880 -11.698
   20   3HD1  LEU   2          3HD1      LEU   2  -5.851  -5.728 -12.059
   21   1HD2  LEU   2          1HD2      LEU   2  -6.709  -8.546 -10.770
   22   2HD2  LEU   2          2HD2      LEU   2  -8.219  -7.719  -9.842
   23   3HD2  LEU   2          3HD2      LEU   2  -6.867  -8.365  -8.959
   24    H    ILE   3           H        ILE   3  -1.940  -5.688 -11.014
   25    HA   ILE   3           HA       ILE   3   0.133  -6.925  -9.322
   26    HB   ILE   3           HB       ILE   3   0.523  -6.833 -11.958
   27   1HG1  ILE   3          1HG1      ILE   3   2.658  -6.764 -12.111
   28   2HG1  ILE   3          2HG1      ILE   3   2.977  -5.953 -10.441
   29   1HG2  ILE   3          1HG2      ILE   3   0.016  -4.200 -12.207
   30   2HG2  ILE   3          2HG2      ILE   3   1.363  -3.939 -11.450
   31   3HG2  ILE   3          3HG2      ILE   3   1.435  -5.077 -12.831
   32   1HD1  ILE   3          1HD1      ILE   3   1.634  -8.395  -9.671
   33   2HD1  ILE   3          2HD1      ILE   3   2.345  -8.720 -11.145
   34   3HD1  ILE   3          3HD1      ILE   3   3.464  -8.237  -9.931
   35    H    CYS   4           H        CYS   4  -1.053  -4.040  -9.057
   36    HA   CYS   4           HA       CYS   4   1.204  -2.762  -7.468
   37   1HB   CYS   4          2HB       CYS   4  -0.652  -1.499  -8.976
   38   2HB   CYS   4          1HB       CYS   4  -1.715  -1.822  -7.796
   39    HG   CYS   4           HG       CYS   4  -0.535   0.307  -7.160
   40    H    GLU   5           H        GLU   5  -2.015  -3.054  -6.483
   41    HA   GLU   5           HA       GLU   5  -1.976  -3.147  -4.017
   42   1HB   GLU   5          2HB       GLU   5  -4.058  -4.234  -3.514
   43   2HB   GLU   5          1HB       GLU   5  -3.913  -3.077  -4.984
   44   1HG   GLU   5          1HG       GLU   5  -4.021  -5.597  -6.207
   45   2HG   GLU   5          2HG       GLU   5  -4.498  -6.185  -4.620
   46    H    GLU   6           H        GLU   6  -1.677  -6.655  -4.996
   47    HA   GLU   6           HA       GLU   6  -1.334  -7.364  -2.246
   48   1HB   GLU   6          1HB       GLU   6  -2.246  -8.859  -3.542
   49   2HB   GLU   6          2HB       GLU   6  -0.905  -8.827  -4.735
   50   1HG   GLU   6          2HG       GLU   6  -0.533 -10.909  -3.592
   51   2HG   GLU   6          1HG       GLU   6   0.572  -9.909  -2.841
   52    HA   PRO   7           HA       PRO   7   3.527  -7.747  -2.795
   53   1HB   PRO   7          1HB       PRO   7   4.789  -7.407  -5.134
   54   2HB   PRO   7          2HB       PRO   7   3.856  -8.852  -4.791
   55   1HG   PRO   7          1HG       PRO   7   2.934  -6.548  -6.609
   56   2HG   PRO   7          2HG       PRO   7   2.813  -8.354  -6.907
   57   1HD   PRO   7          1HD       PRO   7   0.763  -6.603  -5.713
   58   2HD   PRO   7          2HD       PRO   7   0.909  -8.368  -5.554
   59    H    THR   8           H        THR   8   2.827  -5.092  -4.758
   60    HA   THR   8           HA       THR   8   5.092  -3.414  -3.981
   61    HB   THR   8           HB       THR   8   2.517  -2.167  -5.140
   62    HG1  THR   8           HG1      THR   8   4.600  -3.284  -6.286
   63   1HG2  THR   8          1HG2      THR   8   4.275  -0.466  -4.740
   64   2HG2  THR   8          2HG2      THR   8   5.573  -1.439  -5.339
   65   3HG2  THR   8          3HG2      THR   8   4.312  -0.946  -6.440
   66    H    CYS   9           H        CYS   9   2.017  -3.266  -3.048
   67    HA   CYS   9           HA       CYS   9   1.989  -0.999  -1.183
   68   1HB   CYS   9          1HB       CYS   9  -0.616  -2.414  -1.856
   69   2HB   CYS   9          2HB       CYS   9  -0.475  -0.949  -0.922
   70    HG   CYS   9           HG       CYS   9   0.498   0.514  -2.753
   71    H    ARG  10           H        ARG  10   1.783  -4.397  -0.879
   72    HA   ARG  10           HA       ARG  10   1.568  -4.718   2.168
   73   1HB   ARG  10          1HB       ARG  10   1.220  -6.808   0.558
   74   2HB   ARG  10          2HB       ARG  10   2.834  -6.475   0.081
   75   1HG   ARG  10          2HG       ARG  10   3.454  -7.172   2.642
   76   2HG   ARG  10          1HG       ARG  10   1.869  -6.765   3.093
   77   1HD   ARG  10          1HD       ARG  10   1.041  -8.866   2.297
   78   2HD   ARG  10          2HD       ARG  10   2.333  -9.024   1.126
   79    HE   ARG  10           HE       ARG  10   2.496  -9.930   3.822
   80   1HH1  ARG  10          1HH2      ARG  10   4.602  -9.078   1.395
   81   2HH1  ARG  10          2HH2      ARG  10   5.664 -10.498   1.685
   82   1HH2  ARG  10          2HH1      ARG  10   3.501 -11.546   4.224
   83   2HH2  ARG  10          1HH1      ARG  10   5.036 -11.834   3.347
   84    H    ASN  11           H        ASN  11   4.335  -4.471  -0.063
   85    HA   ASN  11           HA       ASN  11   6.648  -4.256   2.016
   86   1HB   ASN  11          1HB       ASN  11   6.186  -3.452  -0.863
   87   2HB   ASN  11          2HB       ASN  11   7.571  -2.815  -0.198
   88   1HD2  ASN  11          2HD2      ASN  11   6.578  -5.848  -1.182
   89   2HD2  ASN  11          1HD2      ASN  11   8.173  -6.614  -0.996
   90    H    ARG  12           H        ARG  12   3.852  -1.820   0.509
   91    HA   ARG  12           HA       ARG  12   5.221   0.479   1.896
   92   1HB   ARG  12          2HB       ARG  12   4.029   1.933   1.098
   93   2HB   ARG  12          1HB       ARG  12   3.952   0.848  -0.218
   94   1HG   ARG  12          1HG       ARG  12   1.395   0.499   0.769
   95   2HG   ARG  12          2HG       ARG  12   1.900   1.465   2.078
   96   1HD   ARG  12          1HD       ARG  12   0.549   2.830   0.419
   97   2HD   ARG  12          2HD       ARG  12   2.242   3.485   0.386
   98    HE   ARG  12           HE       ARG  12   0.759   1.344  -1.505
   99   1HH1  ARG  12          1HH1      ARG  12   3.762   3.457  -0.894
  100   2HH1  ARG  12          2HH1      ARG  12   4.268   3.259  -2.749
  101   1HH2  ARG  12          1HH2      ARG  12   1.722   1.202  -3.535
  102   2HH2  ARG  12          2HH2      ARG  12   3.361   1.920  -4.031
  103    H    THR  13           H        THR  13   2.693  -1.567   2.738
  104    HA   THR  13           HA       THR  13   2.101  -0.574   5.372
  105    HB   THR  13           HB       THR  13   2.395  -3.508   4.920
  106    HG1  THR  13           HG1      THR  13  -0.140  -2.606   4.451
  107   1HG2  THR  13          1HG2      THR  13   0.178  -1.711   6.567
  108   2HG2  THR  13          2HG2      THR  13   0.119  -3.485   6.318
  109   3HG2  THR  13          3HG2      THR  13   1.225  -2.925   7.401
  110    H    ARG  14           H        ARG  14   4.857  -2.279   4.578
  111    HA   ARG  14           HA       ARG  14   5.853  -2.440   7.277
  112   1HB   ARG  14          1HB       ARG  14   7.317  -3.122   4.583
  113   2HB   ARG  14          2HB       ARG  14   8.294  -2.832   5.965
  114   1HG   ARG  14          2HG       ARG  14   7.930  -4.766   6.768
  115   2HG   ARG  14          1HG       ARG  14   6.155  -4.474   6.906
  116   1HD   ARG  14          1HD       ARG  14   5.952  -5.558   4.487
  117   2HD   ARG  14          2HD       ARG  14   7.612  -5.433   4.230
  118    HE   ARG  14           HE       ARG  14   8.251  -7.318   5.625
  119   1HH1  ARG  14          1HH1      ARG  14   4.686  -7.497   5.743
  120   2HH1  ARG  14          2HH1      ARG  14   4.906  -9.310   5.465
  121   1HH2  ARG  14          1HH2      ARG  14   8.275  -9.222   5.754
  122   2HH2  ARG  14          2HH2      ARG  14   6.734 -10.113   5.375
  123    H    HIS  15           H        HIS  15   5.388   0.088   5.218
  124    HA   HIS  15           HA       HIS  15   7.684   1.942   5.984
  125   1HB   HIS  15          2HB       HIS  15   5.381   2.571   4.025
  126   2HB   HIS  15          1HB       HIS  15   6.536   3.632   4.735
  127    HD1  HIS  15           HD1      HIS  15   5.975   2.991   1.334
  128    HD2  HIS  15           HD2      HIS  15   8.709   1.167   3.959
  129    HE1  HIS  15           HE1      HIS  15   7.969   2.274  -0.141
  130    HE2  HIS  15           HE2      HIS  15   9.805   1.427   1.460
  131    H    LEU  16           H        LEU  16   4.714   0.586   7.243
  132    HA   LEU  16           HA       LEU  16   3.113   3.266   7.769
  133   1HB   LEU  16          1HB       LEU  16   1.964   1.161   7.402
  134   2HB   LEU  16          2HB       LEU  16   2.724   0.354   8.804
  135    HG   LEU  16           HG       LEU  16   1.326   2.770   9.751
  136   1HD1  LEU  16          1HD2      LEU  16  -0.008   2.734   7.814
  137   2HD1  LEU  16          2HD2      LEU  16  -0.313   1.071   7.686
  138   3HD1  LEU  16          3HD2      LEU  16  -1.188   2.135   8.894
  139   1HD2  LEU  16          1HD1      LEU  16  -0.075   1.126  11.128
  140   2HD2  LEU  16          2HD1      LEU  16   0.961  -0.060  10.345
  141   3HD2  LEU  16          3HD1      LEU  16   1.676   1.425  11.282
  142    HA   PRO  17           HA       PRO  17   5.908   2.998  12.069
  143   1HB   PRO  17          1HB       PRO  17   8.238   1.434  11.907
  144   2HB   PRO  17          2HB       PRO  17   6.887   0.528  12.354
  145   1HG   PRO  17          1HG       PRO  17   7.882   0.889   9.370
  146   2HG   PRO  17          2HG       PRO  17   7.802  -0.529  10.219
  147   1HD   PRO  17          1HD       PRO  17   5.598   0.116   8.754
  148   2HD   PRO  17          2HD       PRO  17   5.247  -0.232  10.490
  149    H    LEU  18           H        LEU  18   7.516   3.122   8.917
  150    HA   LEU  18           HA       LEU  18   9.071   5.517   9.763
  151   1HB   LEU  18          2HB       LEU  18   9.616   6.333   7.939
  152   2HB   LEU  18          1HB       LEU  18  10.268   4.673   8.285
  153    HG   LEU  18           HG       LEU  18   7.949   4.286   6.518
  154   1HD1  LEU  18          1HD1      LEU  18   9.808   6.380   5.154
  155   2HD1  LEU  18          2HD1      LEU  18   8.208   5.596   4.621
  156   3HD1  LEU  18          3HD1      LEU  18   8.303   6.850   6.110
  157   1HD2  LEU  18          1HD2      LEU  18  10.884   4.317   5.417
  158   2HD2  LEU  18          2HD2      LEU  18   9.233   3.743   4.684
  159   3HD2  LEU  18          3HD2      LEU  18   9.919   2.909   6.096
  160    H    GLN  19           H        GLN  19   6.069   5.036   7.969
  161    HA   GLN  19           HA       GLN  19   4.134   6.352   7.638
  162   1HB   GLN  19          1HB       GLN  19   4.248   5.814  10.132
  163   2HB   GLN  19          2HB       GLN  19   4.542   7.538  10.657
  164   1HG   GLN  19          2HG       GLN  19   2.619   8.064  10.750
  165   2HG   GLN  19          1HG       GLN  19   2.103   7.758   9.076
  166   1HE2  GLN  19          1HE2      GLN  19   2.148   6.885  12.160
  167   2HE2  GLN  19          2HE2      GLN  19   0.946   5.200  12.426
  168    H    PHE  20           H        PHE  20   6.435   7.936   6.257
  169    HA   PHE  20           HA       PHE  20   5.344  10.738   6.677
  170   1HB   PHE  20          2HB       PHE  20   7.046  11.437   5.522
  171   2HB   PHE  20          1HB       PHE  20   7.561  10.575   7.048
  172    HD1  PHE  20           HD1      PHE  20   9.450   9.465   6.976
  173    HD2  PHE  20           HD2      PHE  20   7.652  10.443   3.221
  174    HE1  PHE  20           HE1      PHE  20  11.644   8.854   5.776
  175    HE2  PHE  20           HE2      PHE  20   9.940  10.318   2.091
  176    HZ   PHE  20           HZ       PHE  20  11.844   9.594   3.297
  177    H    SER  21           H        SER  21   5.554   7.960   4.349
  178    HA   SER  21           HA       SER  21   3.948   9.353   1.949
  179   1HB   SER  21          2HB       SER  21   5.712   8.354   0.888
  180   2HB   SER  21          1HB       SER  21   5.749   7.039   2.193
  181    HG   SER  21           HG       SER  21   3.800   7.549   0.475
  182    H    ARG  22           H        ARG  22   2.530   8.881   4.507
  183    HA   ARG  22           HA       ARG  22   0.678   6.731   4.372
  184   1HB   ARG  22          1HB       ARG  22  -0.830   8.116   5.500
  185   2HB   ARG  22          2HB       ARG  22   0.718   7.812   6.361
  186   1HG   ARG  22          1HG       ARG  22   0.542  10.659   5.004
  187   2HG   ARG  22          2HG       ARG  22  -0.692  10.279   6.255
  188   1HD   ARG  22          1HD       ARG  22   1.742   9.454   7.492
  189   2HD   ARG  22          2HD       ARG  22   2.191  10.701   6.243
  190    HE   ARG  22           HE       ARG  22   0.059  11.986   7.817
  191   1HH1  ARG  22          1HH2      ARG  22   2.850  10.400   9.007
  192   2HH1  ARG  22          2HH2      ARG  22   3.427  11.658  10.151
  193   1HH2  ARG  22          1HH1      ARG  22   0.645  13.624   8.942
  194   2HH2  ARG  22          2HH1      ARG  22   1.548  13.368  10.598
  195    H    THR  23           H        THR  23   0.054   9.681   3.118
  196    HA   THR  23           HA       THR  23  -1.844   8.727   0.936
  197    HB   THR  23           HB       THR  23  -1.249  10.879  -0.414
  198    HG1  THR  23           HG1      THR  23   0.050  12.441   0.713
  199   1HG2  THR  23          1HG2      THR  23  -2.551  12.259   1.168
  200   2HG2  THR  23          2HG2      THR  23  -3.045  10.506   1.518
  201   3HG2  THR  23          3HG2      THR  23  -1.950  11.335   2.591
  202    H    GLY  24           H        GLY  24   1.877   9.643   0.380
  203   1HA   GLY  24          1HA       GLY  24   3.281   8.913  -1.310
  204   2HA   GLY  24          2HA       GLY  24   2.389   7.603  -1.481
  205    HA   PRO  25           HA       PRO  25   0.519  10.269  -4.925
  206   1HB   PRO  25          1HB       PRO  25   1.950  12.250  -6.455
  207   2HB   PRO  25          2HB       PRO  25   1.357  12.472  -4.765
  208   1HG   PRO  25          1HG       PRO  25   4.139  11.200  -5.762
  209   2HG   PRO  25          2HG       PRO  25   4.081  12.512  -4.599
  210   1HD   PRO  25          1HD       PRO  25   4.223   9.930  -3.472
  211   2HD   PRO  25          2HD       PRO  25   3.424  11.424  -2.712
  212    H    LEU  26           H        LEU  26   1.715   7.940  -5.464
  213    HA   LEU  26           HA       LEU  26   2.076   7.727  -8.414
  214   1HB   LEU  26          2HB       LEU  26   2.460   5.345  -6.209
  215   2HB   LEU  26          1HB       LEU  26   2.554   5.270  -7.948
  216    HG   LEU  26           HG       LEU  26   4.660   6.565  -8.008
  217   1HD1  LEU  26          1HD2      LEU  26   4.713   6.408  -4.817
  218   2HD1  LEU  26          2HD2      LEU  26   4.229   7.968  -5.621
  219   3HD1  LEU  26          3HD2      LEU  26   5.673   7.368  -5.629
  220   1HD2  LEU  26          1HD1      LEU  26   6.305   5.022  -6.380
  221   2HD2  LEU  26          2HD1      LEU  26   5.231   4.398  -7.826
  222   3HD2  LEU  26          3HD1      LEU  26   4.694   4.183  -6.032
  223    H    CYS  27           H        CYS  27   0.154   5.927  -5.777
  224    HA   CYS  27           HA       CYS  27  -1.729   5.014  -7.857
  225   1HB   CYS  27          1HB       CYS  27  -1.737   2.573  -7.464
  226   2HB   CYS  27          2HB       CYS  27  -0.123   3.144  -7.555
  227    HG   CYS  27           HG       CYS  27  -0.020   1.636  -5.248
  228    HA   PRO  28           HA       PRO  28  -3.846   7.273  -4.759
  229   1HB   PRO  28          1HB       PRO  28  -6.438   7.212  -5.977
  230   2HB   PRO  28          2HB       PRO  28  -5.129   7.689  -6.997
  231   1HG   PRO  28          1HG       PRO  28  -6.574   4.961  -6.700
  232   2HG   PRO  28          2HG       PRO  28  -6.274   5.861  -8.129
  233   1HD   PRO  28          1HD       PRO  28  -4.325   3.925  -7.376
  234   2HD   PRO  28          2HD       PRO  28  -3.688   5.355  -8.110
  235    H    ALA  29           H        ALA  29  -3.616   5.640  -2.942
  236    HA   ALA  29           HA       ALA  29  -4.319   4.198  -1.297
  237   1HB   ALA  29          1HB       ALA  29  -7.280   5.390  -1.518
  238   2HB   ALA  29          2HB       ALA  29  -6.845   4.516  -0.351
  239   3HB   ALA  29          3HB       ALA  29  -5.962   5.953  -0.450
  240    H    CYS  30           H        CYS  30  -3.621   2.854  -3.070
  241    HA   CYS  30           HA       CYS  30  -5.381   0.476  -3.351
  242   1HB   CYS  30          1HB       CYS  30  -3.101   1.675  -4.732
  243   2HB   CYS  30          2HB       CYS  30  -2.224   0.797  -3.481
  244    HG   CYS  30           HG       CYS  30  -1.904  -1.285  -5.050
  245    H    MET  31           H        MET  31  -3.898   1.368  -0.643
  246    HA   MET  31           HA       MET  31  -2.308  -1.124   0.631
  247   1HB   MET  31          2HB       MET  31  -1.574   1.350   0.672
  248   2HB   MET  31          1HB       MET  31  -2.832   1.656   1.940
  249   1HG   MET  31          2HG       MET  31  -0.668  -0.416   2.282
  250   2HG   MET  31          1HG       MET  31  -0.647   1.351   2.760
  251   1HE   MET  31          1HE       MET  31  -3.471   1.760   5.648
  252   2HE   MET  31          2HE       MET  31  -3.689   1.790   3.769
  253   3HE   MET  31          3HE       MET  31  -4.577   0.685   4.650
  254    H    LYS  32           H        LYS  32  -5.542   0.870   1.034
  255    HA   LYS  32           HA       LYS  32  -6.805  -1.107   2.811
  256   1HB   LYS  32          1HB       LYS  32  -9.020  -0.025   2.258
  257   2HB   LYS  32          2HB       LYS  32  -7.509   0.967   2.744
  258   1HG   LYS  32          1HG       LYS  32  -7.092   1.844   0.634
  259   2HG   LYS  32          2HG       LYS  32  -8.509   1.003  -0.085
  260   1HD   LYS  32          2HD       LYS  32  -9.885   2.187   2.111
  261   2HD   LYS  32          1HD       LYS  32  -8.509   3.302   2.103
  262   1HE   LYS  32          1HE       LYS  32  -9.282   3.800  -0.310
  263   2HE   LYS  32          2HE       LYS  32 -10.702   2.836  -0.262
  264   1HZ   LYS  32          1HZ       LYS  32 -10.604   4.282   2.048
  265   2HZ   LYS  32          2HZ       LYS  32  -9.953   5.442   0.906
  266   3HZ   LYS  32          3HZ       LYS  32 -11.541   4.834   0.814
  267    H    ALA  33           H        ALA  33  -6.477  -1.120  -0.517
  268    HA   ALA  33           HA       ALA  33  -8.229  -3.682  -0.945
  269   1HB   ALA  33          1HB       ALA  33  -7.725  -1.699  -2.957
  270   2HB   ALA  33          2HB       ALA  33  -6.151  -2.425  -3.060
  271   3HB   ALA  33          3HB       ALA  33  -7.444  -3.383  -3.474
  272    H    THR  34           H        THR  34  -4.679  -3.357  -0.237
  273    HA   THR  34           HA       THR  34  -4.185  -6.348  -0.687
  274    HB   THR  34           HB       THR  34  -2.833  -4.240   1.188
  275    HG1  THR  34           HG1      THR  34  -2.941  -4.221  -1.401
  276   1HG2  THR  34          1HG2      THR  34  -1.303  -6.321  -0.504
  277   2HG2  THR  34          2HG2      THR  34  -0.855  -5.239   0.984
  278   3HG2  THR  34          3HG2      THR  34  -1.839  -6.678   1.317
  279    H    LEU  35           H        LEU  35  -5.418  -4.045   2.070
  280    HA   LEU  35           HA       LEU  35  -5.640  -5.985   4.382
  281   1HB   LEU  35          2HB       LEU  35  -6.838  -3.186   3.803
  282   2HB   LEU  35          1HB       LEU  35  -7.779  -3.974   4.939
  283    HG   LEU  35           HG       LEU  35  -5.412  -4.814   6.116
  284   1HD1  LEU  35          1HD1      LEU  35  -4.049  -2.627   4.609
  285   2HD1  LEU  35          2HD1      LEU  35  -3.593  -4.339   4.453
  286   3HD1  LEU  35          3HD1      LEU  35  -3.322  -3.539   5.821
  287   1HD2  LEU  35          1HD2      LEU  35  -7.075  -2.899   6.817
  288   2HD2  LEU  35          2HD2      LEU  35  -5.393  -2.836   7.451
  289   3HD2  LEU  35          3HD2      LEU  35  -5.723  -1.836   6.084
  290    H    GLN  36           H        GLN  36  -7.971  -5.798   1.776
  291    HA   GLN  36           HA       GLN  36  -9.604  -7.821   3.042
  292   1HB   GLN  36          1HB       GLN  36  -9.501  -6.554   0.326
  293   2HB   GLN  36          2HB       GLN  36 -10.530  -7.994   0.494
  294   1HG   GLN  36          1HG       GLN  36 -11.995  -6.972   2.041
  295   2HG   GLN  36          2HG       GLN  36 -10.835  -5.562   2.211
  296   1HE2  GLN  36          2HE2      GLN  36 -13.730  -6.217   0.482
  297   2HE2  GLN  36          1HE2      GLN  36 -13.248  -5.508  -1.144
  298    HA   PRO  37           HA       PRO  37  -7.965 -11.223  -0.008
  299   1HB   PRO  37          1HB       PRO  37  -5.315 -10.684  -1.571
  300   2HB   PRO  37          2HB       PRO  37  -7.130 -11.010  -2.181
  301   1HG   PRO  37          1HG       PRO  37  -5.269  -8.572  -1.471
  302   2HG   PRO  37          2HG       PRO  37  -6.605  -8.281  -2.391
  303   1HD   PRO  37          1HD       PRO  37  -6.818  -7.415   0.213
  304   2HD   PRO  37          2HD       PRO  37  -8.211  -7.801  -0.746
  305    H    GLU  38           H        GLU  38  -5.404  -9.208   2.093
  306    HA   GLU  38           HA       GLU  38  -4.716 -11.832   3.259
  307   1HB   GLU  38          1HB       GLU  38  -3.099 -10.917   4.548
  308   2HB   GLU  38          2HB       GLU  38  -2.886 -10.056   2.979
  309   1HG   GLU  38          1HG       GLU  38  -4.233  -8.225   3.348
  310   2HG   GLU  38          2HG       GLU  38  -4.608  -8.683   5.101
  Start of MODEL   16
    1   1H    TRP   1          1H        TRP   1  -3.756  -1.272 -12.118
    2   2H    TRP   1          2H        TRP   1  -3.314  -2.785 -11.962
    3   3H    TRP   1          3H        TRP   1  -4.797  -2.407 -11.742
    4    HA   TRP   1           HA       TRP   1  -2.758  -1.308  -9.948
    5   1HB   TRP   1          1HB       TRP   1  -4.670  -0.647  -8.435
    6   2HB   TRP   1          2HB       TRP   1  -4.726  -0.013 -10.087
    7    HD1  TRP   1           HD1      TRP   1  -6.546  -0.808 -11.897
    8    HE1  TRP   1           HE1      TRP   1  -9.142  -1.190 -11.395
    9    HE3  TRP   1           HE3      TRP   1  -6.361  -0.948  -6.714
   10    HZ2  TRP   1           HZ2      TRP   1 -10.627  -0.503  -9.033
   11    HZ3  TRP   1           HZ3      TRP   1  -8.411  -0.644  -5.442
   12    HH2  TRP   1           HH2      TRP   1 -10.641  -0.272  -6.910
   13    H    LEU   2           H        LEU   2  -4.043  -4.155 -10.957
   14    HA   LEU   2           HA       LEU   2  -4.364  -5.617  -8.374
   15   1HB   LEU   2          1HB       LEU   2  -4.335  -7.260 -10.786
   16   2HB   LEU   2          2HB       LEU   2  -4.488  -7.631  -9.190
   17    HG   LEU   2           HG       LEU   2  -6.601  -5.900  -9.068
   18   1HD1  LEU   2          1HD1      LEU   2  -6.713  -4.672 -11.188
   19   2HD1  LEU   2          2HD1      LEU   2  -7.556  -6.065 -11.837
   20   3HD1  LEU   2          3HD1      LEU   2  -5.803  -5.914 -12.042
   21   1HD2  LEU   2          1HD2      LEU   2  -6.867  -8.303 -10.934
   22   2HD2  LEU   2          2HD2      LEU   2  -8.239  -7.520  -9.671
   23   3HD2  LEU   2          3HD2      LEU   2  -6.713  -8.345  -9.041
   24    H    ILE   3           H        ILE   3  -1.936  -5.464 -10.997
   25    HA   ILE   3           HA       ILE   3  -0.094  -6.882  -9.308
   26    HB   ILE   3           HB       ILE   3   0.503  -6.919 -11.944
   27   1HG1  ILE   3          1HG1      ILE   3   2.626  -6.569 -12.181
   28   2HG1  ILE   3          2HG1      ILE   3   2.982  -6.066 -10.283
   29   1HG2  ILE   3          1HG2      ILE   3  -0.085  -4.366 -12.006
   30   2HG2  ILE   3          2HG2      ILE   3   1.444  -3.820 -11.713
   31   3HG2  ILE   3          3HG2      ILE   3   1.233  -4.978 -13.126
   32   1HD1  ILE   3          1HD1      ILE   3   1.985  -8.006  -9.520
   33   2HD1  ILE   3          2HD1      ILE   3   1.868  -8.986 -11.044
   34   3HD1  ILE   3          3HD1      ILE   3   3.394  -8.422 -10.329
   35    H    CYS   4           H        CYS   4  -0.861  -3.965  -9.203
   36    HA   CYS   4           HA       CYS   4   1.454  -2.837  -7.483
   37   1HB   CYS   4          2HB       CYS   4  -0.707  -1.410  -8.849
   38   2HB   CYS   4          1HB       CYS   4  -1.541  -1.907  -7.573
   39    HG   CYS   4           HG       CYS   4  -0.567   0.466  -7.085
   40    H    GLU   5           H        GLU   5  -2.128  -3.365  -6.562
   41    HA   GLU   5           HA       GLU   5  -1.885  -3.049  -4.041
   42   1HB   GLU   5          2HB       GLU   5  -4.042  -4.341  -3.186
   43   2HB   GLU   5          1HB       GLU   5  -3.997  -3.300  -4.583
   44   1HG   GLU   5          1HG       GLU   5  -3.837  -5.254  -6.213
   45   2HG   GLU   5          2HG       GLU   5  -4.348  -6.295  -4.887
   46    H    GLU   6           H        GLU   6  -1.621  -6.369  -4.979
   47    HA   GLU   6           HA       GLU   6  -1.214  -7.594  -2.176
   48   1HB   GLU   6          1HB       GLU   6  -2.139  -9.113  -3.818
   49   2HB   GLU   6          2HB       GLU   6  -0.672  -8.998  -4.739
   50   1HG   GLU   6          2HG       GLU   6  -0.214 -11.042  -3.625
   51   2HG   GLU   6          1HG       GLU   6   0.588  -9.865  -2.742
   52    HA   PRO   7           HA       PRO   7   3.352  -7.805  -2.929
   53   1HB   PRO   7          1HB       PRO   7   4.801  -7.720  -5.075
   54   2HB   PRO   7          2HB       PRO   7   3.553  -8.969  -4.966
   55   1HG   PRO   7          1HG       PRO   7   3.147  -6.450  -6.392
   56   2HG   PRO   7          2HG       PRO   7   2.929  -8.096  -7.019
   57   1HD   PRO   7          1HD       PRO   7   0.871  -6.494  -5.769
   58   2HD   PRO   7          2HD       PRO   7   0.912  -8.318  -5.812
   59    H    THR   8           H        THR   8   2.678  -4.897  -4.628
   60    HA   THR   8           HA       THR   8   4.995  -3.275  -3.898
   61    HB   THR   8           HB       THR   8   2.497  -2.092  -5.169
   62    HG1  THR   8           HG1      THR   8   4.128  -3.856  -6.203
   63   1HG2  THR   8          1HG2      THR   8   3.807  -0.328  -5.033
   64   2HG2  THR   8          2HG2      THR   8   5.308  -1.240  -4.801
   65   3HG2  THR   8          3HG2      THR   8   4.919  -1.103  -6.405
   66    H    CYS   9           H        CYS   9   1.969  -3.289  -2.992
   67    HA   CYS   9           HA       CYS   9   2.381  -0.923  -1.181
   68   1HB   CYS   9          1HB       CYS   9  -0.290  -2.604  -1.760
   69   2HB   CYS   9          2HB       CYS   9  -0.258  -0.934  -0.980
   70    HG   CYS   9           HG       CYS   9   0.500   0.340  -2.799
   71    H    ARG  10           H        ARG  10   1.135  -4.469  -0.491
   72    HA   ARG  10           HA       ARG  10   1.552  -4.698   2.128
   73   1HB   ARG  10          1HB       ARG  10   1.377  -6.829   0.345
   74   2HB   ARG  10          2HB       ARG  10   3.157  -6.643   0.470
   75   1HG   ARG  10          2HG       ARG  10   3.284  -7.149   2.832
   76   2HG   ARG  10          1HG       ARG  10   1.576  -6.885   3.043
   77   1HD   ARG  10          1HD       ARG  10   1.018  -9.079   2.215
   78   2HD   ARG  10          2HD       ARG  10   2.233  -9.154   1.151
   79    HE   ARG  10           HE       ARG  10   2.638  -9.752   4.008
   80   1HH1  ARG  10          1HH2      ARG  10   4.583  -9.235   1.027
   81   2HH1  ARG  10          2HH2      ARG  10   5.357 -10.824   1.453
   82   1HH2  ARG  10          2HH1      ARG  10   3.739 -11.419   4.243
   83   2HH2  ARG  10          1HH1      ARG  10   5.033 -12.039   3.145
   84    H    ASN  11           H        ASN  11   4.367  -4.624  -0.047
   85    HA   ASN  11           HA       ASN  11   6.464  -4.229   1.984
   86   1HB   ASN  11          1HB       ASN  11   6.093  -3.665  -1.028
   87   2HB   ASN  11          2HB       ASN  11   7.276  -2.709  -0.348
   88   1HD2  ASN  11          2HD2      ASN  11   6.830  -5.646  -1.776
   89   2HD2  ASN  11          1HD2      ASN  11   8.356  -6.418  -1.168
   90    H    ARG  12           H        ARG  12   3.821  -1.861   0.719
   91    HA   ARG  12           HA       ARG  12   5.215   0.552   1.937
   92   1HB   ARG  12          2HB       ARG  12   4.353   1.964   0.941
   93   2HB   ARG  12          1HB       ARG  12   3.829   0.651  -0.041
   94   1HG   ARG  12          1HG       ARG  12   1.541   0.462   1.172
   95   2HG   ARG  12          2HG       ARG  12   1.967   1.702   2.118
   96   1HD   ARG  12          1HD       ARG  12   0.553   2.487   0.482
   97   2HD   ARG  12          2HD       ARG  12   2.041   3.513   0.523
   98    HE   ARG  12           HE       ARG  12   0.984   1.639  -1.916
   99   1HH1  ARG  12          1HH1      ARG  12   3.397   3.384  -0.793
  100   2HH1  ARG  12          2HH1      ARG  12   4.287   3.324  -2.515
  101   1HH2  ARG  12          1HH2      ARG  12   1.803   1.404  -3.711
  102   2HH2  ARG  12          2HH2      ARG  12   3.529   2.127  -3.811
  103    H    THR  13           H        THR  13   2.638  -1.733   3.033
  104    HA   THR  13           HA       THR  13   2.251  -0.369   5.276
  105    HB   THR  13           HB       THR  13   2.329  -3.477   4.641
  106    HG1  THR  13           HG1      THR  13  -0.017  -3.066   4.024
  107   1HG2  THR  13          1HG2      THR  13   0.015  -2.037   6.316
  108   2HG2  THR  13          2HG2      THR  13   0.378  -3.688   6.582
  109   3HG2  THR  13          3HG2      THR  13   1.194  -2.430   7.242
  110    H    ARG  14           H        ARG  14   4.999  -2.101   4.667
  111    HA   ARG  14           HA       ARG  14   5.816  -2.391   7.323
  112   1HB   ARG  14          1HB       ARG  14   7.305  -3.075   4.855
  113   2HB   ARG  14          2HB       ARG  14   8.234  -2.732   6.083
  114   1HG   ARG  14          2HG       ARG  14   7.705  -4.908   7.027
  115   2HG   ARG  14          1HG       ARG  14   6.158  -4.673   6.940
  116   1HD   ARG  14          1HD       ARG  14   5.861  -5.779   4.608
  117   2HD   ARG  14          2HD       ARG  14   7.361  -5.452   4.220
  118    HE   ARG  14           HE       ARG  14   8.309  -7.093   6.019
  119   1HH1  ARG  14          1HH1      ARG  14   4.833  -7.413   5.593
  120   2HH1  ARG  14          2HH1      ARG  14   5.007  -9.242   5.404
  121   1HH2  ARG  14          1HH2      ARG  14   8.364  -9.244   5.626
  122   2HH2  ARG  14          2HH2      ARG  14   6.767 -10.014   5.208
  123    H    HIS  15           H        HIS  15   5.647  -0.085   4.751
  124    HA   HIS  15           HA       HIS  15   7.648   1.931   5.772
  125   1HB   HIS  15          2HB       HIS  15   5.323   2.770   4.035
  126   2HB   HIS  15          1HB       HIS  15   6.831   3.595   4.658
  127    HD1  HIS  15           HD1      HIS  15   6.348   3.530   1.643
  128    HD2  HIS  15           HD2      HIS  15   8.709   0.490   3.738
  129    HE1  HIS  15           HE1      HIS  15   8.143   2.661   0.090
  130    HE2  HIS  15           HE2      HIS  15   9.583   0.756   1.386
  131    H    LEU  16           H        LEU  16   4.688   0.695   7.156
  132    HA   LEU  16           HA       LEU  16   3.328   3.299   7.889
  133   1HB   LEU  16          1HB       LEU  16   2.049   1.004   7.530
  134   2HB   LEU  16          2HB       LEU  16   2.880   0.511   9.069
  135    HG   LEU  16           HG       LEU  16   1.665   3.100   9.466
  136   1HD1  LEU  16          1HD2      LEU  16   0.025   3.016   7.768
  137   2HD1  LEU  16          2HD2      LEU  16  -0.311   1.369   8.003
  138   3HD1  LEU  16          3HD2      LEU  16  -0.749   2.546   9.264
  139   1HD2  LEU  16          1HD1      LEU  16  -0.013   1.238  10.973
  140   2HD2  LEU  16          2HD1      LEU  16   1.222   0.118  10.527
  141   3HD2  LEU  16          3HD1      LEU  16   1.615   1.831  11.401
  142    HA   PRO  17           HA       PRO  17   5.889   2.977  12.062
  143   1HB   PRO  17          1HB       PRO  17   8.352   1.295  12.015
  144   2HB   PRO  17          2HB       PRO  17   6.876   0.617  12.355
  145   1HG   PRO  17          1HG       PRO  17   7.993   0.988   9.428
  146   2HG   PRO  17          2HG       PRO  17   7.564  -0.556   9.971
  147   1HD   PRO  17          1HD       PRO  17   5.357   0.258   8.852
  148   2HD   PRO  17          2HD       PRO  17   5.198   0.102  10.622
  149    H    LEU  18           H        LEU  18   7.160   3.325   8.904
  150    HA   LEU  18           HA       LEU  18   8.981   5.766   9.864
  151   1HB   LEU  18          2HB       LEU  18   9.661   6.202   7.884
  152   2HB   LEU  18          1HB       LEU  18  10.163   4.577   8.282
  153    HG   LEU  18           HG       LEU  18   7.930   4.173   6.637
  154   1HD1  LEU  18          1HD1      LEU  18   9.669   6.301   5.127
  155   2HD1  LEU  18          2HD1      LEU  18   7.951   5.970   4.744
  156   3HD1  LEU  18          3HD1      LEU  18   8.321   6.961   6.287
  157   1HD2  LEU  18          1HD2      LEU  18  10.608   4.303   5.574
  158   2HD2  LEU  18          2HD2      LEU  18   9.234   3.300   5.017
  159   3HD2  LEU  18          3HD2      LEU  18  10.040   3.112   6.606
  160    H    GLN  19           H        GLN  19   6.030   5.040   7.954
  161    HA   GLN  19           HA       GLN  19   4.026   6.501   7.585
  162   1HB   GLN  19          1HB       GLN  19   4.277   6.003  10.425
  163   2HB   GLN  19          2HB       GLN  19   4.559   7.686  10.441
  164   1HG   GLN  19          2HG       GLN  19   2.432   8.295  10.648
  165   2HG   GLN  19          1HG       GLN  19   2.140   7.607   8.884
  166   1HE2  GLN  19          1HE2      GLN  19   2.562   6.510  12.178
  167   2HE2  GLN  19          2HE2      GLN  19   0.944   5.213  12.112
  168    H    PHE  20           H        PHE  20   6.561   7.819   6.537
  169    HA   PHE  20           HA       PHE  20   5.159  10.643   6.609
  170   1HB   PHE  20          2HB       PHE  20   7.082  11.590   5.477
  171   2HB   PHE  20          1HB       PHE  20   7.454  10.599   6.941
  172    HD1  PHE  20           HD1      PHE  20   9.529   9.233   6.948
  173    HD2  PHE  20           HD2      PHE  20   7.559  10.362   3.303
  174    HE1  PHE  20           HE1      PHE  20  11.521   8.885   5.862
  175    HE2  PHE  20           HE2      PHE  20   9.731   9.638   2.008
  176    HZ   PHE  20           HZ       PHE  20  11.674   9.109   3.228
  177    H    SER  21           H        SER  21   5.176   8.004   4.636
  178    HA   SER  21           HA       SER  21   3.918   9.367   2.163
  179   1HB   SER  21          2HB       SER  21   5.613   8.386   0.859
  180   2HB   SER  21          1HB       SER  21   5.627   6.904   2.051
  181    HG   SER  21           HG       SER  21   4.147   7.471  -0.067
  182    H    ARG  22           H        ARG  22   2.719   8.642   4.795
  183    HA   ARG  22           HA       ARG  22   0.802   6.724   4.484
  184   1HB   ARG  22          1HB       ARG  22  -0.690   7.895   5.940
  185   2HB   ARG  22          2HB       ARG  22   1.023   7.873   6.466
  186   1HG   ARG  22          1HG       ARG  22   0.307  10.383   4.878
  187   2HG   ARG  22          2HG       ARG  22  -0.702  10.189   6.284
  188   1HD   ARG  22          1HD       ARG  22   1.782   9.615   7.438
  189   2HD   ARG  22          2HD       ARG  22   2.287  10.728   6.196
  190    HE   ARG  22           HE       ARG  22   0.601  12.351   7.416
  191   1HH1  ARG  22          1HH2      ARG  22   3.258  10.799   9.206
  192   2HH1  ARG  22          2HH2      ARG  22   2.561  11.755  10.567
  193   1HH2  ARG  22          1HH1      ARG  22   0.273  13.306   9.053
  194   2HH2  ARG  22          2HH1      ARG  22   1.663  13.014  10.366
  195    H    THR  23           H        THR  23   0.640   9.596   2.828
  196    HA   THR  23           HA       THR  23  -1.638   8.640   1.043
  197    HB   THR  23           HB       THR  23  -1.315  10.728  -0.343
  198    HG1  THR  23           HG1      THR  23   0.002  12.210   0.139
  199   1HG2  THR  23          1HG2      THR  23  -2.489  12.236   0.984
  200   2HG2  THR  23          2HG2      THR  23  -3.188  10.562   1.198
  201   3HG2  THR  23          3HG2      THR  23  -2.345  11.278   2.443
  202    H    GLY  24           H        GLY  24   1.477   9.845   0.233
  203   1HA   GLY  24          1HA       GLY  24   3.069   9.309  -1.214
  204   2HA   GLY  24          2HA       GLY  24   2.408   7.789  -1.642
  205    HA   PRO  25           HA       PRO  25   0.407  10.601  -5.196
  206   1HB   PRO  25          1HB       PRO  25   2.237  12.410  -6.084
  207   2HB   PRO  25          2HB       PRO  25   1.880  12.623  -4.527
  208   1HG   PRO  25          1HG       PRO  25   4.162  10.847  -5.553
  209   2HG   PRO  25          2HG       PRO  25   4.336  12.414  -4.826
  210   1HD   PRO  25          1HD       PRO  25   4.155  10.014  -3.398
  211   2HD   PRO  25          2HD       PRO  25   3.328  11.480  -2.777
  212    H    LEU  26           H        LEU  26   1.255   7.958  -5.385
  213    HA   LEU  26           HA       LEU  26   1.931   7.708  -8.309
  214   1HB   LEU  26          2HB       LEU  26   2.538   5.424  -6.095
  215   2HB   LEU  26          1HB       LEU  26   2.410   5.076  -7.802
  216    HG   LEU  26           HG       LEU  26   4.509   6.612  -8.021
  217   1HD1  LEU  26          1HD2      LEU  26   5.133   6.362  -5.005
  218   2HD1  LEU  26          2HD2      LEU  26   4.277   7.915  -5.601
  219   3HD1  LEU  26          3HD2      LEU  26   5.692   7.567  -6.346
  220   1HD2  LEU  26          1HD1      LEU  26   5.926   4.861  -6.683
  221   2HD2  LEU  26          2HD1      LEU  26   4.919   4.251  -7.878
  222   3HD2  LEU  26          3HD1      LEU  26   4.570   4.067  -6.151
  223    H    CYS  27           H        CYS  27   0.215   5.727  -5.689
  224    HA   CYS  27           HA       CYS  27  -1.760   5.018  -7.883
  225   1HB   CYS  27          1HB       CYS  27  -1.786   2.572  -7.219
  226   2HB   CYS  27          2HB       CYS  27  -0.064   2.755  -7.143
  227    HG   CYS  27           HG       CYS  27  -0.212   1.478  -5.474
  228    HA   PRO  28           HA       PRO  28  -3.901   7.120  -4.436
  229   1HB   PRO  28          1HB       PRO  28  -6.172   7.625  -6.071
  230   2HB   PRO  28          2HB       PRO  28  -4.666   7.742  -6.909
  231   1HG   PRO  28          1HG       PRO  28  -6.567   5.294  -6.764
  232   2HG   PRO  28          2HG       PRO  28  -5.764   5.826  -8.239
  233   1HD   PRO  28          1HD       PRO  28  -4.498   3.751  -6.867
  234   2HD   PRO  28          2HD       PRO  28  -3.744   4.907  -8.097
  235    H    ALA  29           H        ALA  29  -3.622   5.977  -2.877
  236    HA   ALA  29           HA       ALA  29  -4.096   4.255  -1.432
  237   1HB   ALA  29          1HB       ALA  29  -7.188   5.501  -1.633
  238   2HB   ALA  29          2HB       ALA  29  -6.663   4.573  -0.347
  239   3HB   ALA  29          3HB       ALA  29  -5.869   6.124  -0.854
  240    H    CYS  30           H        CYS  30  -3.593   2.858  -2.820
  241    HA   CYS  30           HA       CYS  30  -5.069   0.444  -3.681
  242   1HB   CYS  30          1HB       CYS  30  -3.146   1.552  -4.835
  243   2HB   CYS  30          2HB       CYS  30  -2.060   0.803  -3.629
  244    HG   CYS  30           HG       CYS  30  -1.585  -0.417  -5.331
  245    H    MET  31           H        MET  31  -3.727   1.434  -0.681
  246    HA   MET  31           HA       MET  31  -2.610  -1.176   0.484
  247   1HB   MET  31          2HB       MET  31  -1.691   1.357   0.955
  248   2HB   MET  31          1HB       MET  31  -3.140   1.387   2.170
  249   1HG   MET  31          2HG       MET  31  -0.930  -0.804   2.555
  250   2HG   MET  31          1HG       MET  31  -0.435   1.054   2.683
  251   1HE   MET  31          1HE       MET  31  -3.673   0.985   5.771
  252   2HE   MET  31          2HE       MET  31  -3.630   2.168   4.383
  253   3HE   MET  31          3HE       MET  31  -4.418   0.531   4.313
  254    H    LYS  32           H        LYS  32  -5.530   0.487   0.440
  255    HA   LYS  32           HA       LYS  32  -6.653  -1.084   2.904
  256   1HB   LYS  32          1HB       LYS  32  -8.642  -0.127   2.149
  257   2HB   LYS  32          2HB       LYS  32  -7.625   0.947   3.129
  258   1HG   LYS  32          1HG       LYS  32  -7.196   1.997   0.751
  259   2HG   LYS  32          2HG       LYS  32  -8.352   0.970   0.070
  260   1HD   LYS  32          2HD       LYS  32  -9.904   1.901   2.029
  261   2HD   LYS  32          1HD       LYS  32  -8.611   3.193   2.241
  262   1HE   LYS  32          1HE       LYS  32  -9.221   3.756  -0.426
  263   2HE   LYS  32          2HE       LYS  32 -10.640   2.752  -0.087
  264   1HZ   LYS  32          1HZ       LYS  32 -11.247   4.402   1.789
  265   2HZ   LYS  32          2HZ       LYS  32  -9.896   5.275   1.437
  266   3HZ   LYS  32          3HZ       LYS  32 -10.940   4.983   0.184
  267    H    ALA  33           H        ALA  33  -7.467  -1.019  -0.880
  268    HA   ALA  33           HA       ALA  33  -8.269  -3.601  -0.989
  269   1HB   ALA  33          1HB       ALA  33  -7.898  -2.114  -3.165
  270   2HB   ALA  33          2HB       ALA  33  -6.163  -2.507  -3.094
  271   3HB   ALA  33          3HB       ALA  33  -7.471  -3.664  -3.297
  272    H    THR  34           H        THR  34  -4.766  -3.450  -0.068
  273    HA   THR  34           HA       THR  34  -4.126  -6.172  -0.688
  274    HB   THR  34           HB       THR  34  -2.789  -4.195   1.277
  275    HG1  THR  34           HG1      THR  34  -1.605  -4.265  -0.947
  276   1HG2  THR  34          1HG2      THR  34  -1.332  -6.017  -0.394
  277   2HG2  THR  34          2HG2      THR  34  -0.975  -5.364   1.230
  278   3HG2  THR  34          3HG2      THR  34  -1.969  -6.747   0.941
  279    H    LEU  35           H        LEU  35  -5.669  -4.125   2.075
  280    HA   LEU  35           HA       LEU  35  -5.384  -5.746   4.401
  281   1HB   LEU  35          2HB       LEU  35  -6.809  -3.262   3.751
  282   2HB   LEU  35          1HB       LEU  35  -7.593  -4.151   5.031
  283    HG   LEU  35           HG       LEU  35  -5.599  -4.709   6.192
  284   1HD1  LEU  35          1HD1      LEU  35  -3.814  -2.727   5.153
  285   2HD1  LEU  35          2HD1      LEU  35  -3.715  -4.312   4.265
  286   3HD1  LEU  35          3HD1      LEU  35  -3.641  -4.386   5.968
  287   1HD2  LEU  35          1HD2      LEU  35  -7.126  -2.880   6.731
  288   2HD2  LEU  35          2HD2      LEU  35  -5.500  -2.928   7.530
  289   3HD2  LEU  35          3HD2      LEU  35  -5.826  -1.523   6.415
  290    H    GLN  36           H        GLN  36  -8.037  -5.730   1.632
  291    HA   GLN  36           HA       GLN  36  -9.765  -7.907   3.052
  292   1HB   GLN  36          1HB       GLN  36  -9.444  -6.657   0.104
  293   2HB   GLN  36          2HB       GLN  36 -10.610  -8.033   0.286
  294   1HG   GLN  36          1HG       GLN  36 -11.993  -7.093   1.925
  295   2HG   GLN  36          2HG       GLN  36 -10.800  -5.657   2.268
  296   1HE2  GLN  36          2HE2      GLN  36 -13.593  -6.665   0.375
  297   2HE2  GLN  36          1HE2      GLN  36 -13.797  -4.908  -0.121
  298    HA   PRO  37           HA       PRO  37  -8.009 -11.274   0.025
  299   1HB   PRO  37          1HB       PRO  37  -5.809 -11.031  -1.726
  300   2HB   PRO  37          2HB       PRO  37  -7.534 -10.241  -1.943
  301   1HG   PRO  37          1HG       PRO  37  -5.246  -8.485  -1.210
  302   2HG   PRO  37          2HG       PRO  37  -6.230  -8.351  -2.403
  303   1HD   PRO  37          1HD       PRO  37  -7.225  -7.327  -0.087
  304   2HD   PRO  37          2HD       PRO  37  -8.337  -8.082  -1.275
  305    H    GLU  38           H        GLU  38  -5.721  -9.287   2.057
  306    HA   GLU  38           HA       GLU  38  -4.529 -12.056   3.036
  307   1HB   GLU  38          1HB       GLU  38  -2.978 -10.880   4.253
  308   2HB   GLU  38          2HB       GLU  38  -3.062  -9.994   2.685
  309   1HG   GLU  38          1HG       GLU  38  -4.382  -8.080   3.629
  310   2HG   GLU  38          2HG       GLU  38  -4.507  -8.767   5.241
  Start of MODEL   17
    1   1H    TRP   1          1H        TRP   1  -3.581  -1.170 -12.001
    2   2H    TRP   1          2H        TRP   1  -3.226  -2.782 -11.606
    3   3H    TRP   1          3H        TRP   1  -4.892  -2.287 -11.681
    4    HA   TRP   1           HA       TRP   1  -2.701  -1.387  -9.932
    5   1HB   TRP   1          1HB       TRP   1  -4.486  -0.760  -8.410
    6   2HB   TRP   1          2HB       TRP   1  -4.448   0.211  -9.863
    7    HD1  TRP   1           HD1      TRP   1  -6.597  -0.948 -11.842
    8    HE1  TRP   1           HE1      TRP   1  -9.092  -1.171 -11.473
    9    HE3  TRP   1           HE3      TRP   1  -6.405  -1.266  -6.857
   10    HZ2  TRP   1           HZ2      TRP   1 -10.913  -0.557  -8.908
   11    HZ3  TRP   1           HZ3      TRP   1  -8.169  -0.634  -5.389
   12    HH2  TRP   1           HH2      TRP   1 -10.480  -0.720  -6.393
   13    H    LEU   2           H        LEU   2  -4.049  -4.202 -10.940
   14    HA   LEU   2           HA       LEU   2  -4.292  -5.568  -8.275
   15   1HB   LEU   2          1HB       LEU   2  -4.319  -6.714 -10.939
   16   2HB   LEU   2          2HB       LEU   2  -4.704  -7.700  -9.338
   17    HG   LEU   2           HG       LEU   2  -6.595  -5.689  -9.251
   18   1HD1  LEU   2          1HD1      LEU   2  -6.814  -4.679 -11.427
   19   2HD1  LEU   2          2HD1      LEU   2  -7.634  -6.321 -11.794
   20   3HD1  LEU   2          3HD1      LEU   2  -6.094  -5.996 -12.258
   21   1HD2  LEU   2          1HD2      LEU   2  -7.148  -8.393 -10.904
   22   2HD2  LEU   2          2HD2      LEU   2  -8.247  -7.485  -9.778
   23   3HD2  LEU   2          3HD2      LEU   2  -6.824  -8.371  -9.072
   24    H    ILE   3           H        ILE   3  -1.957  -5.516 -11.029
   25    HA   ILE   3           HA       ILE   3   0.209  -6.937  -9.363
   26    HB   ILE   3           HB       ILE   3   0.330  -6.811 -11.926
   27   1HG1  ILE   3          1HG1      ILE   3   3.093  -6.640 -11.938
   28   2HG1  ILE   3          2HG1      ILE   3   2.891  -5.970 -10.334
   29   1HG2  ILE   3          1HG2      ILE   3  -0.079  -4.270 -12.112
   30   2HG2  ILE   3          2HG2      ILE   3   1.629  -4.079 -11.568
   31   3HG2  ILE   3          3HG2      ILE   3   1.166  -4.845 -13.196
   32   1HD1  ILE   3          1HD1      ILE   3   2.229  -8.236  -9.506
   33   2HD1  ILE   3          2HD1      ILE   3   1.516  -8.778 -11.036
   34   3HD1  ILE   3          3HD1      ILE   3   3.385  -8.635 -10.753
   35    H    CYS   4           H        CYS   4  -0.930  -4.176  -8.907
   36    HA   CYS   4           HA       CYS   4   1.511  -2.964  -7.496
   37   1HB   CYS   4          2HB       CYS   4  -0.580  -1.708  -8.839
   38   2HB   CYS   4          1HB       CYS   4  -1.509  -1.931  -7.345
   39    HG   CYS   4           HG       CYS   4  -0.609   0.382  -7.597
   40    H    GLU   5           H        GLU   5  -1.951  -3.545  -6.682
   41    HA   GLU   5           HA       GLU   5  -1.885  -3.066  -3.863
   42   1HB   GLU   5          2HB       GLU   5  -3.906  -4.694  -3.250
   43   2HB   GLU   5          1HB       GLU   5  -4.108  -3.281  -4.440
   44   1HG   GLU   5          1HG       GLU   5  -3.827  -5.060  -6.219
   45   2HG   GLU   5          2HG       GLU   5  -4.256  -6.243  -5.033
   46    H    GLU   6           H        GLU   6  -1.726  -6.726  -4.925
   47    HA   GLU   6           HA       GLU   6  -1.222  -7.503  -2.205
   48   1HB   GLU   6          1HB       GLU   6  -2.180  -9.146  -4.031
   49   2HB   GLU   6          2HB       GLU   6  -0.726  -9.208  -4.825
   50   1HG   GLU   6          2HG       GLU   6  -0.712 -11.221  -3.684
   51   2HG   GLU   6          1HG       GLU   6   0.684 -10.170  -3.011
   52    HA   PRO   7           HA       PRO   7   3.387  -7.781  -2.964
   53   1HB   PRO   7          1HB       PRO   7   4.890  -7.758  -4.996
   54   2HB   PRO   7          2HB       PRO   7   3.599  -9.021  -4.790
   55   1HG   PRO   7          1HG       PRO   7   3.234  -6.358  -6.363
   56   2HG   PRO   7          2HG       PRO   7   3.004  -7.894  -7.027
   57   1HD   PRO   7          1HD       PRO   7   0.755  -6.534  -5.880
   58   2HD   PRO   7          2HD       PRO   7   0.989  -8.268  -5.793
   59    H    THR   8           H        THR   8   2.772  -4.881  -4.773
   60    HA   THR   8           HA       THR   8   5.040  -3.462  -4.085
   61    HB   THR   8           HB       THR   8   2.471  -1.998  -5.048
   62    HG1  THR   8           HG1      THR   8   3.809  -4.018  -6.098
   63   1HG2  THR   8          1HG2      THR   8   3.761  -0.178  -5.270
   64   2HG2  THR   8          2HG2      THR   8   5.174  -0.887  -4.440
   65   3HG2  THR   8          3HG2      THR   8   4.829  -0.933  -6.370
   66    H    CYS   9           H        CYS   9   1.777  -3.081  -3.070
   67    HA   CYS   9           HA       CYS   9   2.042  -0.865  -1.065
   68   1HB   CYS   9          1HB       CYS   9  -0.120  -2.590  -1.646
   69   2HB   CYS   9          2HB       CYS   9  -0.344  -1.209  -0.914
   70    HG   CYS   9           HG       CYS   9   0.201   0.272  -2.851
   71    H    ARG  10           H        ARG  10   1.140  -4.369  -0.369
   72    HA   ARG  10           HA       ARG  10   1.846  -4.527   2.150
   73   1HB   ARG  10          1HB       ARG  10   1.261  -6.674   0.614
   74   2HB   ARG  10          2HB       ARG  10   2.961  -6.878   0.314
   75   1HG   ARG  10          2HG       ARG  10   3.124  -7.095   2.901
   76   2HG   ARG  10          1HG       ARG  10   1.446  -7.106   3.103
   77   1HD   ARG  10          1HD       ARG  10   1.079  -9.041   2.460
   78   2HD   ARG  10          2HD       ARG  10   2.342  -9.140   1.115
   79    HE   ARG  10           HE       ARG  10   2.458  -9.998   3.867
   80   1HH1  ARG  10          1HH2      ARG  10   4.493  -9.264   1.061
   81   2HH1  ARG  10          2HH2      ARG  10   5.342 -10.807   1.336
   82   1HH2  ARG  10          2HH1      ARG  10   3.739 -11.746   4.127
   83   2HH2  ARG  10          1HH1      ARG  10   5.037 -12.060   2.949
   84    H    ASN  11           H        ASN  11   4.334  -4.754  -0.004
   85    HA   ASN  11           HA       ASN  11   6.358  -4.332   1.786
   86   1HB   ASN  11          1HB       ASN  11   6.096  -3.684  -1.096
   87   2HB   ASN  11          2HB       ASN  11   7.241  -2.624  -0.376
   88   1HD2  ASN  11          2HD2      ASN  11   6.888  -5.402  -1.896
   89   2HD2  ASN  11          1HD2      ASN  11   8.424  -6.332  -1.319
   90    H    ARG  12           H        ARG  12   3.990  -2.067   1.071
   91    HA   ARG  12           HA       ARG  12   5.348   0.313   1.940
   92   1HB   ARG  12          2HB       ARG  12   4.038   2.111   0.869
   93   2HB   ARG  12          1HB       ARG  12   3.840   0.810  -0.055
   94   1HG   ARG  12          1HG       ARG  12   1.590   0.513   0.957
   95   2HG   ARG  12          2HG       ARG  12   2.030   1.901   2.131
   96   1HD   ARG  12          1HD       ARG  12   0.562   2.338   0.263
   97   2HD   ARG  12          2HD       ARG  12   1.778   3.461   0.288
   98    HE   ARG  12           HE       ARG  12   0.752   1.571  -1.533
   99   1HH1  ARG  12          1HH1      ARG  12   3.538   3.657  -0.828
  100   2HH1  ARG  12          2HH1      ARG  12   4.523   3.259  -2.239
  101   1HH2  ARG  12          1HH2      ARG  12   2.001   1.179  -3.630
  102   2HH2  ARG  12          2HH2      ARG  12   3.496   2.219  -3.843
  103    H    THR  13           H        THR  13   2.962  -1.712   2.886
  104    HA   THR  13           HA       THR  13   2.167  -0.436   5.502
  105    HB   THR  13           HB       THR  13   2.420  -3.534   5.068
  106    HG1  THR  13           HG1      THR  13   0.226  -3.335   3.890
  107   1HG2  THR  13          1HG2      THR  13  -0.106  -2.179   6.013
  108   2HG2  THR  13          2HG2      THR  13   0.461  -3.883   6.379
  109   3HG2  THR  13          3HG2      THR  13   1.267  -2.382   7.214
  110    H    ARG  14           H        ARG  14   4.768  -2.090   4.623
  111    HA   ARG  14           HA       ARG  14   5.927  -2.107   7.514
  112   1HB   ARG  14          1HB       ARG  14   7.106  -3.063   4.888
  113   2HB   ARG  14          2HB       ARG  14   8.165  -2.814   6.342
  114   1HG   ARG  14          2HG       ARG  14   7.872  -4.941   6.826
  115   2HG   ARG  14          1HG       ARG  14   6.030  -4.751   6.937
  116   1HD   ARG  14          1HD       ARG  14   5.691  -5.814   4.973
  117   2HD   ARG  14          2HD       ARG  14   7.437  -5.548   4.311
  118    HE   ARG  14           HE       ARG  14   8.421  -7.199   5.933
  119   1HH1  ARG  14          1HH1      ARG  14   5.036  -7.279   5.292
  120   2HH1  ARG  14          2HH1      ARG  14   4.846  -9.119   5.366
  121   1HH2  ARG  14          1HH2      ARG  14   8.434  -9.137   5.349
  122   2HH2  ARG  14          2HH2      ARG  14   6.934 -10.138   5.579
  123    H    HIS  15           H        HIS  15   5.423  -0.096   5.210
  124    HA   HIS  15           HA       HIS  15   7.563   1.700   5.921
  125   1HB   HIS  15          2HB       HIS  15   5.428   2.743   3.966
  126   2HB   HIS  15          1HB       HIS  15   6.667   3.605   4.698
  127    HD1  HIS  15           HD1      HIS  15   6.768   3.610   1.613
  128    HD2  HIS  15           HD2      HIS  15   8.647   0.433   3.822
  129    HE1  HIS  15           HE1      HIS  15   8.326   2.620   0.189
  130    HE2  HIS  15           HE2      HIS  15   9.323   0.495   1.173
  131    H    LEU  16           H        LEU  16   4.671   0.869   7.192
  132    HA   LEU  16           HA       LEU  16   3.363   3.234   7.741
  133   1HB   LEU  16          1HB       LEU  16   2.147   1.102   7.467
  134   2HB   LEU  16          2HB       LEU  16   2.809   0.447   9.004
  135    HG   LEU  16           HG       LEU  16   1.772   3.208   9.823
  136   1HD1  LEU  16          1HD2      LEU  16   0.003   3.058   7.685
  137   2HD1  LEU  16          2HD2      LEU  16  -0.434   1.284   8.295
  138   3HD1  LEU  16          3HD2      LEU  16  -0.606   2.750   9.264
  139   1HD2  LEU  16          1HD1      LEU  16   0.029   1.347  10.948
  140   2HD2  LEU  16          2HD1      LEU  16   1.404   0.288  10.535
  141   3HD2  LEU  16          3HD1      LEU  16   1.796   1.580  11.544
  142    HA   PRO  17           HA       PRO  17   5.939   2.595  12.273
  143   1HB   PRO  17          1HB       PRO  17   8.401   1.710  11.455
  144   2HB   PRO  17          2HB       PRO  17   7.083   0.458  12.267
  145   1HG   PRO  17          1HG       PRO  17   7.672   1.083   9.335
  146   2HG   PRO  17          2HG       PRO  17   7.623  -0.516  10.276
  147   1HD   PRO  17          1HD       PRO  17   5.314   0.186   8.961
  148   2HD   PRO  17          2HD       PRO  17   5.281   0.081  10.635
  149    H    LEU  18           H        LEU  18   7.140   3.412   8.835
  150    HA   LEU  18           HA       LEU  18   8.924   5.693   9.917
  151   1HB   LEU  18          2HB       LEU  18   9.870   6.113   7.857
  152   2HB   LEU  18          1HB       LEU  18   9.989   4.465   8.294
  153    HG   LEU  18           HG       LEU  18   7.645   4.587   6.495
  154   1HD1  LEU  18          1HD1      LEU  18   9.433   6.585   5.309
  155   2HD1  LEU  18          2HD1      LEU  18   7.793   5.981   4.840
  156   3HD1  LEU  18          3HD1      LEU  18   8.163   7.008   6.223
  157   1HD2  LEU  18          1HD2      LEU  18  10.574   4.209   5.624
  158   2HD2  LEU  18          2HD2      LEU  18   9.211   3.228   5.180
  159   3HD2  LEU  18          3HD2      LEU  18   9.776   3.016   6.766
  160    H    GLN  19           H        GLN  19   5.875   5.100   7.872
  161    HA   GLN  19           HA       GLN  19   3.889   6.387   7.799
  162   1HB   GLN  19          1HB       GLN  19   4.303   6.088  10.349
  163   2HB   GLN  19          2HB       GLN  19   4.688   7.638  10.404
  164   1HG   GLN  19          2HG       GLN  19   2.712   8.482  10.255
  165   2HG   GLN  19          1HG       GLN  19   2.371   7.917   8.850
  166   1HE2  GLN  19          1HE2      GLN  19   2.647   6.246  12.060
  167   2HE2  GLN  19          2HE2      GLN  19   1.016   5.180  12.129
  168    H    PHE  20           H        PHE  20   6.649   7.931   6.753
  169    HA   PHE  20           HA       PHE  20   5.215  10.521   6.586
  170   1HB   PHE  20          2HB       PHE  20   7.026  11.515   5.287
  171   2HB   PHE  20          1HB       PHE  20   7.505  10.887   6.931
  172    HD1  PHE  20           HD1      PHE  20   9.436   9.547   6.948
  173    HD2  PHE  20           HD2      PHE  20   7.573  10.244   3.131
  174    HE1  PHE  20           HE1      PHE  20  11.307   8.712   5.896
  175    HE2  PHE  20           HE2      PHE  20   9.733   9.537   2.047
  176    HZ   PHE  20           HZ       PHE  20  11.608   8.934   3.276
  177    H    SER  21           H        SER  21   5.341   7.821   4.438
  178    HA   SER  21           HA       SER  21   3.997   9.498   2.190
  179   1HB   SER  21          2HB       SER  21   5.611   8.465   0.993
  180   2HB   SER  21          1HB       SER  21   5.856   7.019   2.002
  181    HG   SER  21           HG       SER  21   4.395   7.533  -0.206
  182    H    ARG  22           H        ARG  22   2.681   8.901   4.755
  183    HA   ARG  22           HA       ARG  22   0.872   6.704   4.496
  184   1HB   ARG  22          1HB       ARG  22  -0.672   7.951   6.006
  185   2HB   ARG  22          2HB       ARG  22   1.021   7.851   6.586
  186   1HG   ARG  22          1HG       ARG  22   0.387  10.437   5.046
  187   2HG   ARG  22          2HG       ARG  22  -0.672  10.037   6.475
  188   1HD   ARG  22          1HD       ARG  22   1.922   9.706   7.535
  189   2HD   ARG  22          2HD       ARG  22   2.228  10.836   6.134
  190    HE   ARG  22           HE       ARG  22   0.201  12.172   7.372
  191   1HH1  ARG  22          1HH2      ARG  22   3.162  10.704   9.206
  192   2HH1  ARG  22          2HH2      ARG  22   2.655  11.880  10.535
  193   1HH2  ARG  22          1HH1      ARG  22   0.064  13.027   9.275
  194   2HH2  ARG  22          2HH1      ARG  22   1.380  13.367  10.270
  195    H    THR  23           H        THR  23   0.845   9.321   2.811
  196    HA   THR  23           HA       THR  23  -1.673   8.767   0.986
  197    HB   THR  23           HB       THR  23  -1.240  10.699  -0.377
  198    HG1  THR  23           HG1      THR  23   0.131  12.055   0.008
  199   1HG2  THR  23          1HG2      THR  23  -2.534  12.131   0.808
  200   2HG2  THR  23          2HG2      THR  23  -3.135  10.690   0.793
  201   3HG2  THR  23          3HG2      THR  23  -2.491  11.310   2.405
  202    H    GLY  24           H        GLY  24   1.546   9.891   0.153
  203   1HA   GLY  24          1HA       GLY  24   3.117   9.301  -1.653
  204   2HA   GLY  24          2HA       GLY  24   2.113   7.862  -1.648
  205    HA   PRO  25           HA       PRO  25   0.383  10.646  -5.155
  206   1HB   PRO  25          1HB       PRO  25   2.300  12.198  -6.333
  207   2HB   PRO  25          2HB       PRO  25   1.751  12.377  -4.511
  208   1HG   PRO  25          1HG       PRO  25   4.147  10.905  -5.650
  209   2HG   PRO  25          2HG       PRO  25   4.351  12.332  -4.584
  210   1HD   PRO  25          1HD       PRO  25   4.091   9.971  -3.237
  211   2HD   PRO  25          2HD       PRO  25   3.180  11.410  -2.706
  212    H    LEU  26           H        LEU  26   1.122   7.854  -5.396
  213    HA   LEU  26           HA       LEU  26   2.118   7.282  -8.320
  214   1HB   LEU  26          2HB       LEU  26   2.276   5.412  -6.146
  215   2HB   LEU  26          1HB       LEU  26   2.651   5.131  -7.833
  216    HG   LEU  26           HG       LEU  26   4.542   6.483  -8.108
  217   1HD1  LEU  26          1HD2      LEU  26   5.268   6.494  -5.142
  218   2HD1  LEU  26          2HD2      LEU  26   4.133   7.886  -5.537
  219   3HD1  LEU  26          3HD2      LEU  26   5.876   7.474  -6.195
  220   1HD2  LEU  26          1HD1      LEU  26   5.885   4.637  -7.017
  221   2HD2  LEU  26          2HD1      LEU  26   4.561   4.202  -7.953
  222   3HD2  LEU  26          3HD1      LEU  26   4.334   4.158  -6.235
  223    H    CYS  27           H        CYS  27   0.520   5.928  -5.824
  224    HA   CYS  27           HA       CYS  27  -1.817   4.732  -7.817
  225   1HB   CYS  27          1HB       CYS  27  -1.735   2.550  -7.210
  226   2HB   CYS  27          2HB       CYS  27  -0.071   3.177  -7.314
  227    HG   CYS  27           HG       CYS  27  -0.106   1.539  -4.770
  228    HA   PRO  28           HA       PRO  28  -3.646   7.262  -4.904
  229   1HB   PRO  28          1HB       PRO  28  -6.048   7.718  -5.998
  230   2HB   PRO  28          2HB       PRO  28  -4.436   7.732  -6.761
  231   1HG   PRO  28          1HG       PRO  28  -6.614   5.361  -7.036
  232   2HG   PRO  28          2HG       PRO  28  -5.580   6.386  -8.106
  233   1HD   PRO  28          1HD       PRO  28  -4.626   3.768  -6.708
  234   2HD   PRO  28          2HD       PRO  28  -3.769   4.791  -7.995
  235    H    ALA  29           H        ALA  29  -3.412   5.780  -3.073
  236    HA   ALA  29           HA       ALA  29  -4.143   4.341  -1.186
  237   1HB   ALA  29          1HB       ALA  29  -6.808   5.027  -2.055
  238   2HB   ALA  29          2HB       ALA  29  -6.369   4.599  -0.429
  239   3HB   ALA  29          3HB       ALA  29  -5.982   6.217  -0.790
  240    H    CYS  30           H        CYS  30  -3.473   2.706  -2.826
  241    HA   CYS  30           HA       CYS  30  -5.192   0.442  -3.385
  242   1HB   CYS  30          1HB       CYS  30  -3.104   1.711  -4.781
  243   2HB   CYS  30          2HB       CYS  30  -2.095   0.890  -3.586
  244    HG   CYS  30           HG       CYS  30  -1.712  -0.257  -5.606
  245    H    MET  31           H        MET  31  -3.762   1.516  -0.502
  246    HA   MET  31           HA       MET  31  -2.219  -0.893   0.463
  247   1HB   MET  31          2HB       MET  31  -1.784   1.512   1.163
  248   2HB   MET  31          1HB       MET  31  -2.869   1.602   2.125
  249   1HG   MET  31          2HG       MET  31  -1.004  -0.769   2.430
  250   2HG   MET  31          1HG       MET  31  -0.528   0.801   2.788
  251   1HE   MET  31          1HE       MET  31  -3.842   0.945   5.718
  252   2HE   MET  31          2HE       MET  31  -3.453   2.180   4.628
  253   3HE   MET  31          3HE       MET  31  -4.407   0.938   3.990
  254    H    LYS  32           H        LYS  32  -5.594   0.708   0.631
  255    HA   LYS  32           HA       LYS  32  -6.479  -1.145   2.795
  256   1HB   LYS  32          1HB       LYS  32  -8.758   0.156   2.529
  257   2HB   LYS  32          2HB       LYS  32  -7.308   0.969   3.014
  258   1HG   LYS  32          1HG       LYS  32  -7.115   2.089   0.699
  259   2HG   LYS  32          2HG       LYS  32  -8.458   0.960   0.169
  260   1HD   LYS  32          2HD       LYS  32  -9.921   1.909   2.061
  261   2HD   LYS  32          1HD       LYS  32  -8.712   3.109   2.394
  262   1HE   LYS  32          1HE       LYS  32  -8.901   3.610  -0.205
  263   2HE   LYS  32          2HE       LYS  32 -10.430   2.694  -0.223
  264   1HZ   LYS  32          1HZ       LYS  32 -11.393   4.180   1.256
  265   2HZ   LYS  32          2HZ       LYS  32  -9.902   5.121   1.651
  266   3HZ   LYS  32          3HZ       LYS  32 -10.742   5.198   0.247
  267    H    ALA  33           H        ALA  33  -7.575  -1.039  -0.705
  268    HA   ALA  33           HA       ALA  33  -8.216  -3.680  -0.886
  269   1HB   ALA  33          1HB       ALA  33  -8.039  -2.181  -3.006
  270   2HB   ALA  33          2HB       ALA  33  -6.271  -2.529  -3.214
  271   3HB   ALA  33          3HB       ALA  33  -7.422  -3.775  -3.307
  272    H    THR  34           H        THR  34  -4.898  -3.229  -0.692
  273    HA   THR  34           HA       THR  34  -4.350  -6.175  -0.621
  274    HB   THR  34           HB       THR  34  -3.250  -4.100   1.307
  275    HG1  THR  34           HG1      THR  34  -1.488  -4.012  -0.308
  276   1HG2  THR  34          1HG2      THR  34  -1.215  -5.982  -0.282
  277   2HG2  THR  34          2HG2      THR  34  -1.099  -5.366   1.293
  278   3HG2  THR  34          3HG2      THR  34  -2.208  -6.688   1.045
  279    H    LEU  35           H        LEU  35  -5.436  -4.206   2.094
  280    HA   LEU  35           HA       LEU  35  -5.487  -5.921   4.288
  281   1HB   LEU  35          2HB       LEU  35  -6.769  -3.220   3.716
  282   2HB   LEU  35          1HB       LEU  35  -7.611  -4.359   4.740
  283    HG   LEU  35           HG       LEU  35  -5.797  -4.743   6.106
  284   1HD1  LEU  35          1HD1      LEU  35  -3.486  -2.863   5.535
  285   2HD1  LEU  35          2HD1      LEU  35  -3.912  -4.154   4.221
  286   3HD1  LEU  35          3HD1      LEU  35  -3.603  -4.398   6.010
  287   1HD2  LEU  35          1HD2      LEU  35  -7.127  -2.861   6.722
  288   2HD2  LEU  35          2HD2      LEU  35  -5.601  -2.866   7.548
  289   3HD2  LEU  35          3HD2      LEU  35  -5.837  -1.768   5.947
  290    H    GLN  36           H        GLN  36  -8.228  -5.628   1.706
  291    HA   GLN  36           HA       GLN  36  -9.819  -7.802   2.905
  292   1HB   GLN  36          1HB       GLN  36  -9.614  -6.625   0.047
  293   2HB   GLN  36          2HB       GLN  36 -10.508  -8.189   0.339
  294   1HG   GLN  36          1HG       GLN  36 -11.831  -7.027   2.083
  295   2HG   GLN  36          2HG       GLN  36 -10.824  -5.674   2.128
  296   1HE2  GLN  36          2HE2      GLN  36 -13.568  -6.783   0.317
  297   2HE2  GLN  36          1HE2      GLN  36 -13.623  -4.811   0.290
  298    HA   PRO  37           HA       PRO  37  -7.987 -11.354   0.131
  299   1HB   PRO  37          1HB       PRO  37  -5.824 -10.868  -1.726
  300   2HB   PRO  37          2HB       PRO  37  -7.579 -10.601  -1.857
  301   1HG   PRO  37          1HG       PRO  37  -5.435  -8.477  -0.640
  302   2HG   PRO  37          2HG       PRO  37  -6.239  -8.412  -2.452
  303   1HD   PRO  37          1HD       PRO  37  -7.347  -7.261  -0.281
  304   2HD   PRO  37          2HD       PRO  37  -8.494  -8.274  -1.293
  305    H    GLU  38           H        GLU  38  -5.812  -9.396   2.177
  306    HA   GLU  38           HA       GLU  38  -4.353 -12.012   2.935
  307   1HB   GLU  38          1HB       GLU  38  -2.975 -10.725   4.262
  308   2HB   GLU  38          2HB       GLU  38  -2.745 -10.137   2.782
  309   1HG   GLU  38          1HG       GLU  38  -4.577  -8.099   3.644
  310   2HG   GLU  38          2HG       GLU  38  -4.087  -9.150   5.237
  Start of MODEL   18
    1   1H    TRP   1          1H        TRP   1  -3.571  -1.172 -12.107
    2   2H    TRP   1          2H        TRP   1  -3.332  -2.736 -11.764
    3   3H    TRP   1          3H        TRP   1  -4.830  -2.171 -11.976
    4    HA   TRP   1           HA       TRP   1  -2.925  -1.562  -9.833
    5   1HB   TRP   1          1HB       TRP   1  -4.698  -0.705  -8.346
    6   2HB   TRP   1          2HB       TRP   1  -4.653   0.458  -9.700
    7    HD1  TRP   1           HD1      TRP   1  -6.619  -1.110 -11.749
    8    HE1  TRP   1           HE1      TRP   1  -9.434  -0.948 -11.324
    9    HE3  TRP   1           HE3      TRP   1  -6.457  -1.276  -6.659
   10    HZ2  TRP   1           HZ2      TRP   1 -10.868  -0.580  -9.156
   11    HZ3  TRP   1           HZ3      TRP   1  -8.542  -0.815  -5.468
   12    HH2  TRP   1           HH2      TRP   1 -10.566  -0.685  -6.219
   13    H    LEU   2           H        LEU   2  -3.757  -4.247 -10.946
   14    HA   LEU   2           HA       LEU   2  -4.417  -5.539  -8.188
   15   1HB   LEU   2          1HB       LEU   2  -4.334  -6.745 -11.052
   16   2HB   LEU   2          2HB       LEU   2  -4.310  -7.646  -9.760
   17    HG   LEU   2           HG       LEU   2  -6.500  -5.636  -9.352
   18   1HD1  LEU   2          1HD1      LEU   2  -6.965  -4.739 -11.414
   19   2HD1  LEU   2          2HD1      LEU   2  -7.873  -6.106 -11.640
   20   3HD1  LEU   2          3HD1      LEU   2  -6.102  -6.220 -12.285
   21   1HD2  LEU   2          1HD2      LEU   2  -7.224  -8.394 -10.770
   22   2HD2  LEU   2          2HD2      LEU   2  -8.069  -7.153  -9.771
   23   3HD2  LEU   2          3HD2      LEU   2  -6.978  -8.265  -8.920
   24    H    ILE   3           H        ILE   3  -1.846  -5.160 -10.767
   25    HA   ILE   3           HA       ILE   3   0.004  -7.289  -9.743
   26    HB   ILE   3           HB       ILE   3   0.231  -6.837 -11.981
   27   1HG1  ILE   3          1HG1      ILE   3   2.828  -6.603 -12.092
   28   2HG1  ILE   3          2HG1      ILE   3   2.752  -6.073 -10.196
   29   1HG2  ILE   3          1HG2      ILE   3  -0.089  -4.281 -12.050
   30   2HG2  ILE   3          2HG2      ILE   3   1.660  -4.138 -11.575
   31   3HG2  ILE   3          3HG2      ILE   3   1.304  -4.996 -13.110
   32   1HD1  ILE   3          1HD1      ILE   3   2.491  -8.419  -9.538
   33   2HD1  ILE   3          2HD1      ILE   3   1.460  -8.742 -11.021
   34   3HD1  ILE   3          3HD1      ILE   3   3.160  -8.693 -11.163
   35    H    CYS   4           H        CYS   4  -0.774  -4.121  -8.920
   36    HA   CYS   4           HA       CYS   4   1.403  -2.817  -7.323
   37   1HB   CYS   4          2HB       CYS   4  -0.583  -1.664  -8.707
   38   2HB   CYS   4          1HB       CYS   4  -1.432  -1.781  -7.282
   39    HG   CYS   4           HG       CYS   4  -0.314   0.456  -7.907
   40    H    GLU   5           H        GLU   5  -2.125  -3.560  -6.506
   41    HA   GLU   5           HA       GLU   5  -1.712  -3.131  -3.772
   42   1HB   GLU   5          2HB       GLU   5  -3.754  -4.684  -3.384
   43   2HB   GLU   5          1HB       GLU   5  -4.062  -3.357  -3.976
   44   1HG   GLU   5          1HG       GLU   5  -3.730  -5.069  -6.217
   45   2HG   GLU   5          2HG       GLU   5  -3.976  -6.117  -4.964
   46    H    GLU   6           H        GLU   6  -1.896  -6.618  -4.934
   47    HA   GLU   6           HA       GLU   6  -1.218  -7.508  -2.285
   48   1HB   GLU   6          1HB       GLU   6  -2.211  -9.301  -3.822
   49   2HB   GLU   6          2HB       GLU   6  -0.786  -9.065  -4.959
   50   1HG   GLU   6          2HG       GLU   6  -0.719 -11.161  -3.918
   51   2HG   GLU   6          1HG       GLU   6   0.708 -10.506  -3.133
   52    HA   PRO   7           HA       PRO   7   3.513  -7.755  -2.876
   53   1HB   PRO   7          1HB       PRO   7   4.896  -7.721  -5.366
   54   2HB   PRO   7          2HB       PRO   7   3.684  -9.026  -4.814
   55   1HG   PRO   7          1HG       PRO   7   3.354  -6.261  -6.254
   56   2HG   PRO   7          2HG       PRO   7   2.906  -7.763  -7.084
   57   1HD   PRO   7          1HD       PRO   7   0.964  -6.435  -5.846
   58   2HD   PRO   7          2HD       PRO   7   1.003  -8.207  -5.878
   59    H    THR   8           H        THR   8   2.969  -4.976  -4.976
   60    HA   THR   8           HA       THR   8   5.178  -3.322  -3.964
   61    HB   THR   8           HB       THR   8   2.487  -2.029  -5.009
   62    HG1  THR   8           HG1      THR   8   3.417  -4.167  -6.285
   63   1HG2  THR   8          1HG2      THR   8   3.710  -0.052  -5.344
   64   2HG2  THR   8          2HG2      THR   8   5.113  -0.926  -4.301
   65   3HG2  THR   8          3HG2      THR   8   5.252  -0.944  -6.043
   66    H    CYS   9           H        CYS   9   1.960  -3.027  -3.308
   67    HA   CYS   9           HA       CYS   9   2.341  -1.040  -0.887
   68   1HB   CYS   9          1HB       CYS   9  -0.165  -2.697  -1.623
   69   2HB   CYS   9          2HB       CYS   9  -0.073  -1.031  -0.741
   70    HG   CYS   9           HG       CYS   9  -0.094   0.294  -2.989
   71    H    ARG  10           H        ARG  10   1.228  -4.501  -0.596
   72    HA   ARG  10           HA       ARG  10   1.512  -4.837   2.110
   73   1HB   ARG  10          1HB       ARG  10   1.160  -6.472   0.948
   74   2HB   ARG  10          2HB       ARG  10   2.875  -6.924   0.340
   75   1HG   ARG  10          2HG       ARG  10   3.143  -7.213   3.012
   76   2HG   ARG  10          1HG       ARG  10   1.318  -7.065   3.116
   77   1HD   ARG  10          1HD       ARG  10   1.062  -9.263   2.098
   78   2HD   ARG  10          2HD       ARG  10   2.211  -9.041   1.025
   79    HE   ARG  10           HE       ARG  10   2.447 -10.280   3.716
   80   1HH1  ARG  10          1HH2      ARG  10   4.325  -9.284   1.177
   81   2HH1  ARG  10          2HH2      ARG  10   5.531 -10.668   1.339
   82   1HH2  ARG  10          2HH1      ARG  10   3.730 -11.846   3.973
   83   2HH2  ARG  10          1HH1      ARG  10   5.141 -11.860   2.820
   84    H    ASN  11           H        ASN  11   4.321  -4.601   0.035
   85    HA   ASN  11           HA       ASN  11   6.544  -3.990   1.910
   86   1HB   ASN  11          1HB       ASN  11   6.030  -3.619  -1.130
   87   2HB   ASN  11          2HB       ASN  11   7.254  -2.583  -0.337
   88   1HD2  ASN  11          2HD2      ASN  11   6.913  -5.435  -2.024
   89   2HD2  ASN  11          1HD2      ASN  11   8.464  -6.259  -1.501
   90    H    ARG  12           H        ARG  12   4.076  -1.883   1.042
   91    HA   ARG  12           HA       ARG  12   5.289   0.518   2.216
   92   1HB   ARG  12          2HB       ARG  12   4.387   1.889   1.442
   93   2HB   ARG  12          1HB       ARG  12   3.878   0.782  -0.064
   94   1HG   ARG  12          1HG       ARG  12   1.582   0.474   1.251
   95   2HG   ARG  12          2HG       ARG  12   1.910   1.768   2.236
   96   1HD   ARG  12          1HD       ARG  12   0.530   2.353   0.448
   97   2HD   ARG  12          2HD       ARG  12   1.881   3.335   0.249
   98    HE   ARG  12           HE       ARG  12   1.041   1.258  -1.826
   99   1HH1  ARG  12          1HH1      ARG  12   3.715   3.638  -0.692
  100   2HH1  ARG  12          2HH1      ARG  12   4.547   2.999  -2.293
  101   1HH2  ARG  12          1HH2      ARG  12   2.126   1.076  -3.265
  102   2HH2  ARG  12          2HH2      ARG  12   3.516   2.089  -4.000
  103    H    THR  13           H        THR  13   2.895  -1.810   3.006
  104    HA   THR  13           HA       THR  13   2.130  -0.401   5.181
  105    HB   THR  13           HB       THR  13   2.048  -3.527   4.696
  106    HG1  THR  13           HG1      THR  13   0.556  -3.445   3.784
  107   1HG2  THR  13          1HG2      THR  13  -0.279  -2.249   6.317
  108   2HG2  THR  13          2HG2      THR  13   0.574  -3.909   6.254
  109   3HG2  THR  13          3HG2      THR  13   1.207  -2.417   7.197
  110    H    ARG  14           H        ARG  14   4.902  -1.942   4.691
  111    HA   ARG  14           HA       ARG  14   5.862  -2.373   7.544
  112   1HB   ARG  14          1HB       ARG  14   7.409  -3.070   4.883
  113   2HB   ARG  14          2HB       ARG  14   8.160  -2.957   6.397
  114   1HG   ARG  14          2HG       ARG  14   7.839  -4.827   6.999
  115   2HG   ARG  14          1HG       ARG  14   6.228  -4.852   7.281
  116   1HD   ARG  14          1HD       ARG  14   5.772  -5.755   5.070
  117   2HD   ARG  14          2HD       ARG  14   7.177  -5.244   4.334
  118    HE   ARG  14           HE       ARG  14   8.479  -7.172   5.528
  119   1HH1  ARG  14          1HH1      ARG  14   4.911  -7.283   5.269
  120   2HH1  ARG  14          2HH1      ARG  14   4.903  -9.112   5.439
  121   1HH2  ARG  14          1HH2      ARG  14   8.508  -9.196   5.320
  122   2HH2  ARG  14          2HH2      ARG  14   7.076 -10.167   5.844
  123    H    HIS  15           H        HIS  15   5.279   0.065   5.191
  124    HA   HIS  15           HA       HIS  15   7.540   1.995   6.009
  125   1HB   HIS  15          2HB       HIS  15   5.438   2.582   4.065
  126   2HB   HIS  15          1HB       HIS  15   6.892   3.602   4.236
  127    HD1  HIS  15           HD1      HIS  15   6.825   3.664   2.082
  128    HD2  HIS  15           HD2      HIS  15   8.892   0.485   3.732
  129    HE1  HIS  15           HE1      HIS  15   8.172   2.389   0.194
  130    HE2  HIS  15           HE2      HIS  15   9.125   0.316   1.076
  131    H    LEU  16           H        LEU  16   4.649   0.772   7.164
  132    HA   LEU  16           HA       LEU  16   3.426   3.414   7.828
  133   1HB   LEU  16          1HB       LEU  16   1.893   1.132   7.630
  134   2HB   LEU  16          2HB       LEU  16   2.969   0.602   8.940
  135    HG   LEU  16           HG       LEU  16   1.754   3.381   9.717
  136   1HD1  LEU  16          1HD2      LEU  16   0.223   2.829   7.568
  137   2HD1  LEU  16          2HD2      LEU  16  -0.319   1.270   8.569
  138   3HD1  LEU  16          3HD2      LEU  16  -0.661   2.956   9.202
  139   1HD2  LEU  16          1HD1      LEU  16   0.151   1.612  11.058
  140   2HD2  LEU  16          2HD1      LEU  16   1.236   0.403  10.393
  141   3HD2  LEU  16          3HD1      LEU  16   1.809   1.681  11.566
  142    HA   PRO  17           HA       PRO  17   5.739   2.583  12.104
  143   1HB   PRO  17          1HB       PRO  17   8.532   1.467  11.508
  144   2HB   PRO  17          2HB       PRO  17   7.313   0.894  12.447
  145   1HG   PRO  17          1HG       PRO  17   7.804   0.965   9.408
  146   2HG   PRO  17          2HG       PRO  17   7.486  -0.521  10.274
  147   1HD   PRO  17          1HD       PRO  17   5.556   0.462   8.968
  148   2HD   PRO  17          2HD       PRO  17   5.093   0.092  10.652
  149    H    LEU  18           H        LEU  18   7.216   3.274   8.835
  150    HA   LEU  18           HA       LEU  18   8.727   5.839  10.092
  151   1HB   LEU  18          2HB       LEU  18   9.849   6.235   7.823
  152   2HB   LEU  18          1HB       LEU  18   9.886   4.563   8.303
  153    HG   LEU  18           HG       LEU  18   7.964   4.187   6.768
  154   1HD1  LEU  18          1HD1      LEU  18   9.294   6.570   5.316
  155   2HD1  LEU  18          2HD1      LEU  18   7.813   5.963   4.836
  156   3HD1  LEU  18          3HD1      LEU  18   7.761   6.783   6.278
  157   1HD2  LEU  18          1HD2      LEU  18  10.602   4.086   5.796
  158   2HD2  LEU  18          2HD2      LEU  18   9.121   3.461   5.098
  159   3HD2  LEU  18          3HD2      LEU  18   9.681   2.855   6.716
  160    H    GLN  19           H        GLN  19   6.051   5.211   7.891
  161    HA   GLN  19           HA       GLN  19   4.079   6.309   7.690
  162   1HB   GLN  19          1HB       GLN  19   4.036   6.194  10.357
  163   2HB   GLN  19          2HB       GLN  19   4.780   7.650  10.344
  164   1HG   GLN  19          2HG       GLN  19   2.572   8.404  10.446
  165   2HG   GLN  19          1HG       GLN  19   2.297   7.660   8.753
  166   1HE2  GLN  19          1HE2      GLN  19   2.615   6.037  12.245
  167   2HE2  GLN  19          2HE2      GLN  19   0.832   5.366  11.615
  168    H    PHE  20           H        PHE  20   6.430   7.727   6.557
  169    HA   PHE  20           HA       PHE  20   5.210  10.553   6.435
  170   1HB   PHE  20          2HB       PHE  20   6.897  11.478   5.353
  171   2HB   PHE  20          1HB       PHE  20   7.483  10.937   6.909
  172    HD1  PHE  20           HD1      PHE  20   9.348   9.380   6.973
  173    HD2  PHE  20           HD2      PHE  20   7.521  10.089   3.104
  174    HE1  PHE  20           HE1      PHE  20  11.588   8.946   5.675
  175    HE2  PHE  20           HE2      PHE  20   9.471   9.710   2.080
  176    HZ   PHE  20           HZ       PHE  20  11.641   8.928   3.581
  177    H    SER  21           H        SER  21   5.576   7.968   4.160
  178    HA   SER  21           HA       SER  21   3.855   9.410   2.171
  179   1HB   SER  21          2HB       SER  21   5.821   8.387   1.074
  180   2HB   SER  21          1HB       SER  21   5.773   6.803   1.932
  181    HG   SER  21           HG       SER  21   4.507   7.404  -0.451
  182    H    ARG  22           H        ARG  22   2.566   9.217   4.499
  183    HA   ARG  22           HA       ARG  22   1.087   6.748   4.565
  184   1HB   ARG  22          1HB       ARG  22  -0.672   7.906   6.038
  185   2HB   ARG  22          2HB       ARG  22   1.116   7.853   6.450
  186   1HG   ARG  22          1HG       ARG  22  -0.017  10.368   5.158
  187   2HG   ARG  22          2HG       ARG  22  -0.568   9.998   6.711
  188   1HD   ARG  22          1HD       ARG  22   2.113   9.657   7.433
  189   2HD   ARG  22          2HD       ARG  22   2.292  10.662   6.090
  190    HE   ARG  22           HE       ARG  22   0.108  11.822   7.388
  191   1HH1  ARG  22          1HH2      ARG  22   3.076  10.558   9.108
  192   2HH1  ARG  22          2HH2      ARG  22   2.914  11.976  10.238
  193   1HH2  ARG  22          1HH1      ARG  22  -0.117  13.052   9.015
  194   2HH2  ARG  22          2HH1      ARG  22   1.411  13.420  10.144
  195    H    THR  23           H        THR  23   0.684   9.562   2.786
  196    HA   THR  23           HA       THR  23  -1.600   8.510   1.145
  197    HB   THR  23           HB       THR  23  -1.387  10.649  -0.505
  198    HG1  THR  23           HG1      THR  23   0.182  11.836  -0.059
  199   1HG2  THR  23          1HG2      THR  23  -2.507  12.286   1.012
  200   2HG2  THR  23          2HG2      THR  23  -3.253  10.622   0.922
  201   3HG2  THR  23          3HG2      THR  23  -2.426  11.153   2.346
  202    H    GLY  24           H        GLY  24   1.450   9.635   0.361
  203   1HA   GLY  24          1HA       GLY  24   2.960   9.306  -1.323
  204   2HA   GLY  24          2HA       GLY  24   2.098   7.857  -1.832
  205    HA   PRO  25           HA       PRO  25   0.527  10.887  -5.049
  206   1HB   PRO  25          1HB       PRO  25   2.224  12.305  -6.467
  207   2HB   PRO  25          2HB       PRO  25   1.941  12.643  -4.934
  208   1HG   PRO  25          1HG       PRO  25   4.379  10.763  -5.417
  209   2HG   PRO  25          2HG       PRO  25   4.398  12.311  -4.620
  210   1HD   PRO  25          1HD       PRO  25   4.218  10.018  -3.261
  211   2HD   PRO  25          2HD       PRO  25   3.074  11.360  -2.850
  212    H    LEU  26           H        LEU  26   1.343   7.890  -5.222
  213    HA   LEU  26           HA       LEU  26   1.930   7.667  -8.249
  214   1HB   LEU  26          2HB       LEU  26   2.659   5.227  -6.038
  215   2HB   LEU  26          1HB       LEU  26   2.443   5.287  -7.855
  216    HG   LEU  26           HG       LEU  26   4.405   6.609  -8.090
  217   1HD1  LEU  26          1HD2      LEU  26   4.863   6.432  -5.163
  218   2HD1  LEU  26          2HD2      LEU  26   4.083   7.826  -5.750
  219   3HD1  LEU  26          3HD2      LEU  26   5.697   7.663  -6.597
  220   1HD2  LEU  26          1HD1      LEU  26   5.838   4.601  -7.189
  221   2HD2  LEU  26          2HD1      LEU  26   4.370   3.967  -7.932
  222   3HD2  LEU  26          3HD1      LEU  26   4.580   4.070  -6.213
  223    H    CYS  27           H        CYS  27   0.352   5.702  -5.771
  224    HA   CYS  27           HA       CYS  27  -1.800   4.844  -7.748
  225   1HB   CYS  27          1HB       CYS  27  -1.694   2.774  -7.332
  226   2HB   CYS  27          2HB       CYS  27  -0.039   2.956  -7.248
  227    HG   CYS  27           HG       CYS  27   0.044   1.750  -4.824
  228    HA   PRO  28           HA       PRO  28  -3.742   7.301  -4.658
  229   1HB   PRO  28          1HB       PRO  28  -5.967   7.619  -5.817
  230   2HB   PRO  28          2HB       PRO  28  -4.671   7.840  -6.931
  231   1HG   PRO  28          1HG       PRO  28  -6.531   5.543  -7.050
  232   2HG   PRO  28          2HG       PRO  28  -5.513   6.353  -8.310
  233   1HD   PRO  28          1HD       PRO  28  -4.849   3.923  -6.596
  234   2HD   PRO  28          2HD       PRO  28  -4.085   4.658  -8.064
  235    H    ALA  29           H        ALA  29  -3.329   5.283  -3.004
  236    HA   ALA  29           HA       ALA  29  -4.256   4.387  -0.950
  237   1HB   ALA  29          1HB       ALA  29  -7.046   5.264  -1.758
  238   2HB   ALA  29          2HB       ALA  29  -6.361   4.714  -0.323
  239   3HB   ALA  29          3HB       ALA  29  -5.811   6.361  -1.277
  240    H    CYS  30           H        CYS  30  -3.441   2.767  -3.060
  241    HA   CYS  30           HA       CYS  30  -5.096   0.209  -3.426
  242   1HB   CYS  30          1HB       CYS  30  -3.338   1.615  -4.907
  243   2HB   CYS  30          2HB       CYS  30  -2.067   1.075  -3.718
  244    HG   CYS  30           HG       CYS  30  -1.815  -0.127  -5.856
  245    H    MET  31           H        MET  31  -3.672   1.635  -0.753
  246    HA   MET  31           HA       MET  31  -2.428  -1.099   0.324
  247   1HB   MET  31          2HB       MET  31  -1.705   1.386   0.920
  248   2HB   MET  31          1HB       MET  31  -3.316   1.391   1.947
  249   1HG   MET  31          2HG       MET  31  -1.381  -0.898   2.411
  250   2HG   MET  31          1HG       MET  31  -0.664   0.694   2.603
  251   1HE   MET  31          1HE       MET  31  -4.209   0.849   5.527
  252   2HE   MET  31          2HE       MET  31  -3.259   2.121   4.890
  253   3HE   MET  31          3HE       MET  31  -4.311   1.045   3.851
  254    H    LYS  32           H        LYS  32  -5.355   0.798   0.804
  255    HA   LYS  32           HA       LYS  32  -6.479  -1.199   2.748
  256   1HB   LYS  32          1HB       LYS  32  -8.521   0.086   2.864
  257   2HB   LYS  32          2HB       LYS  32  -7.090   1.007   2.837
  258   1HG   LYS  32          1HG       LYS  32  -7.023   2.059   0.808
  259   2HG   LYS  32          2HG       LYS  32  -8.336   1.036   0.115
  260   1HD   LYS  32          2HD       LYS  32  -9.911   1.844   2.113
  261   2HD   LYS  32          1HD       LYS  32  -8.702   3.207   2.370
  262   1HE   LYS  32          1HE       LYS  32  -8.778   3.793  -0.189
  263   2HE   LYS  32          2HE       LYS  32 -10.332   2.683  -0.136
  264   1HZ   LYS  32          1HZ       LYS  32 -11.401   4.319   1.255
  265   2HZ   LYS  32          2HZ       LYS  32 -10.095   4.632   1.869
  266   3HZ   LYS  32          3HZ       LYS  32 -10.304   5.297   0.260
  267    H    ALA  33           H        ALA  33  -7.313  -1.037  -0.720
  268    HA   ALA  33           HA       ALA  33  -8.327  -3.565  -0.849
  269   1HB   ALA  33          1HB       ALA  33  -8.138  -2.264  -3.015
  270   2HB   ALA  33          2HB       ALA  33  -6.383  -2.433  -3.008
  271   3HB   ALA  33          3HB       ALA  33  -7.645  -3.795  -3.405
  272    H    THR  34           H        THR  34  -4.934  -3.438  -1.128
  273    HA   THR  34           HA       THR  34  -4.257  -6.091  -0.626
  274    HB   THR  34           HB       THR  34  -2.953  -4.043   1.293
  275    HG1  THR  34           HG1      THR  34  -1.696  -3.396  -0.204
  276   1HG2  THR  34          1HG2      THR  34  -1.365  -6.066  -0.157
  277   2HG2  THR  34          2HG2      THR  34  -1.076  -5.433   1.360
  278   3HG2  THR  34          3HG2      THR  34  -2.128  -6.781   1.096
  279    H    LEU  35           H        LEU  35  -5.614  -4.214   1.980
  280    HA   LEU  35           HA       LEU  35  -5.571  -5.847   4.208
  281   1HB   LEU  35          2HB       LEU  35  -6.526  -3.284   3.617
  282   2HB   LEU  35          1HB       LEU  35  -7.583  -4.030   4.793
  283    HG   LEU  35           HG       LEU  35  -5.781  -4.888   6.028
  284   1HD1  LEU  35          1HD1      LEU  35  -3.679  -2.612   5.605
  285   2HD1  LEU  35          2HD1      LEU  35  -3.835  -3.904   4.338
  286   3HD1  LEU  35          3HD1      LEU  35  -3.648  -4.627   5.961
  287   1HD2  LEU  35          1HD2      LEU  35  -7.151  -2.897   6.637
  288   2HD2  LEU  35          2HD2      LEU  35  -5.474  -2.793   7.347
  289   3HD2  LEU  35          3HD2      LEU  35  -5.977  -1.774   6.009
  290    H    GLN  36           H        GLN  36  -8.003  -5.711   1.559
  291    HA   GLN  36           HA       GLN  36  -9.850  -7.740   2.952
  292   1HB   GLN  36          1HB       GLN  36  -9.613  -6.838  -0.019
  293   2HB   GLN  36          2HB       GLN  36 -10.594  -8.157   0.449
  294   1HG   GLN  36          1HG       GLN  36 -12.001  -6.883   1.897
  295   2HG   GLN  36          2HG       GLN  36 -10.886  -5.599   1.930
  296   1HE2  GLN  36          2HE2      GLN  36 -13.467  -6.785   0.556
  297   2HE2  GLN  36          1HE2      GLN  36 -14.017  -5.037   0.432
  298    HA   PRO  37           HA       PRO  37  -8.078 -11.166   0.218
  299   1HB   PRO  37          1HB       PRO  37  -5.767 -10.857  -1.215
  300   2HB   PRO  37          2HB       PRO  37  -7.388 -10.286  -2.219
  301   1HG   PRO  37          1HG       PRO  37  -5.224  -8.472  -0.947
  302   2HG   PRO  37          2HG       PRO  37  -5.967  -8.313  -2.310
  303   1HD   PRO  37          1HD       PRO  37  -7.637  -7.233  -0.240
  304   2HD   PRO  37          2HD       PRO  37  -8.412  -8.307  -1.436
  305    H    GLU  38           H        GLU  38  -5.772  -9.396   2.130
  306    HA   GLU  38           HA       GLU  38  -4.207 -11.957   2.723
  307   1HB   GLU  38          1HB       GLU  38  -2.896 -10.696   4.291
  308   2HB   GLU  38          2HB       GLU  38  -2.891 -10.181   2.493
  309   1HG   GLU  38          1HG       GLU  38  -4.566  -8.184   3.875
  310   2HG   GLU  38          2HG       GLU  38  -4.349  -9.074   5.024
  Start of MODEL   19
    1   1H    TRP   1          1H        TRP   1  -3.769  -0.711 -11.380
    2   2H    TRP   1          2H        TRP   1  -3.563  -2.119 -11.865
    3   3H    TRP   1          3H        TRP   1  -5.126  -1.567 -11.778
    4    HA   TRP   1           HA       TRP   1  -3.142  -0.989  -9.500
    5   1HB   TRP   1          1HB       TRP   1  -5.204  -0.772  -8.057
    6   2HB   TRP   1          2HB       TRP   1  -5.339   0.220  -9.626
    7    HD1  TRP   1           HD1      TRP   1  -7.093  -0.830 -11.658
    8    HE1  TRP   1           HE1      TRP   1  -9.747  -0.565 -11.259
    9    HE3  TRP   1           HE3      TRP   1  -6.991  -1.233  -6.221
   10    HZ2  TRP   1           HZ2      TRP   1 -11.205  -0.037  -8.900
   11    HZ3  TRP   1           HZ3      TRP   1  -9.016  -1.234  -5.307
   12    HH2  TRP   1           HH2      TRP   1 -11.173  -0.956  -6.402
   13    H    LEU   2           H        LEU   2  -3.864  -3.950 -10.731
   14    HA   LEU   2           HA       LEU   2  -4.256  -5.395  -8.213
   15   1HB   LEU   2          1HB       LEU   2  -4.331  -6.160 -11.395
   16   2HB   LEU   2          2HB       LEU   2  -4.381  -7.463 -10.485
   17    HG   LEU   2           HG       LEU   2  -6.379  -5.258  -9.799
   18   1HD1  LEU   2          1HD1      LEU   2  -6.207  -5.433 -12.340
   19   2HD1  LEU   2          2HD1      LEU   2  -7.658  -5.227 -11.402
   20   3HD1  LEU   2          3HD1      LEU   2  -7.325  -6.762 -12.054
   21   1HD2  LEU   2          1HD2      LEU   2  -6.498  -8.413 -10.221
   22   2HD2  LEU   2          2HD2      LEU   2  -7.917  -7.558  -9.658
   23   3HD2  LEU   2          3HD2      LEU   2  -6.609  -7.664  -8.596
   24    H    ILE   3           H        ILE   3  -2.085  -5.394 -10.612
   25    HA   ILE   3           HA       ILE   3  -0.272  -7.341  -9.460
   26    HB   ILE   3           HB       ILE   3   0.096  -7.037 -11.785
   27   1HG1  ILE   3          1HG1      ILE   3   2.428  -6.576 -12.130
   28   2HG1  ILE   3          2HG1      ILE   3   2.843  -6.346 -10.551
   29   1HG2  ILE   3          1HG2      ILE   3  -0.261  -4.290 -12.017
   30   2HG2  ILE   3          2HG2      ILE   3   1.148  -4.025 -10.986
   31   3HG2  ILE   3          3HG2      ILE   3   1.387  -4.798 -12.585
   32   1HD1  ILE   3          1HD1      ILE   3   3.076  -8.812 -10.318
   33   2HD1  ILE   3          2HD1      ILE   3   1.334  -8.836 -10.496
   34   3HD1  ILE   3          3HD1      ILE   3   2.194  -8.982 -11.944
   35    H    CYS   4           H        CYS   4  -1.025  -4.172  -8.694
   36    HA   CYS   4           HA       CYS   4   1.401  -3.016  -7.255
   37   1HB   CYS   4          2HB       CYS   4  -0.627  -1.562  -8.721
   38   2HB   CYS   4          1HB       CYS   4  -1.438  -1.647  -7.158
   39    HG   CYS   4           HG       CYS   4   1.239   0.357  -7.778
   40    H    GLU   5           H        GLU   5  -2.123  -3.343  -6.180
   41    HA   GLU   5           HA       GLU   5  -1.612  -3.360  -3.616
   42   1HB   GLU   5          2HB       GLU   5  -3.842  -3.998  -3.375
   43   2HB   GLU   5          1HB       GLU   5  -3.757  -3.069  -4.649
   44   1HG   GLU   5          1HG       GLU   5  -3.558  -5.380  -6.403
   45   2HG   GLU   5          2HG       GLU   5  -3.874  -6.100  -4.855
   46    H    GLU   6           H        GLU   6  -1.482  -6.704  -5.135
   47    HA   GLU   6           HA       GLU   6  -1.110  -7.863  -2.447
   48   1HB   GLU   6          1HB       GLU   6  -1.945  -9.256  -4.426
   49   2HB   GLU   6          2HB       GLU   6  -0.325  -9.267  -5.209
   50   1HG   GLU   6          2HG       GLU   6  -1.046 -11.412  -4.072
   51   2HG   GLU   6          1HG       GLU   6   0.417 -10.663  -3.433
   52    HA   PRO   7           HA       PRO   7   3.999  -7.959  -3.187
   53   1HB   PRO   7          1HB       PRO   7   5.193  -7.103  -5.384
   54   2HB   PRO   7          2HB       PRO   7   4.355  -8.673  -5.223
   55   1HG   PRO   7          1HG       PRO   7   3.266  -6.331  -6.582
   56   2HG   PRO   7          2HG       PRO   7   3.204  -8.052  -7.087
   57   1HD   PRO   7          1HD       PRO   7   1.093  -6.594  -5.668
   58   2HD   PRO   7          2HD       PRO   7   1.200  -8.442  -5.847
   59    H    THR   8           H        THR   8   2.592  -5.042  -4.390
   60    HA   THR   8           HA       THR   8   5.111  -3.313  -3.648
   61    HB   THR   8           HB       THR   8   2.550  -2.138  -4.947
   62    HG1  THR   8           HG1      THR   8   3.670  -2.389  -6.983
   63   1HG2  THR   8          1HG2      THR   8   4.466  -0.750  -6.187
   64   2HG2  THR   8          2HG2      THR   8   3.829  -0.318  -4.673
   65   3HG2  THR   8          3HG2      THR   8   5.355  -1.199  -4.686
   66    H    CYS   9           H        CYS   9   1.993  -3.321  -3.037
   67    HA   CYS   9           HA       CYS   9   1.984  -1.068  -1.054
   68   1HB   CYS   9          1HB       CYS   9  -0.290  -2.892  -2.014
   69   2HB   CYS   9          2HB       CYS   9  -0.291  -1.516  -0.767
   70    HG   CYS   9           HG       CYS   9  -0.631   0.209  -2.566
   71    H    ARG  10           H        ARG  10   1.339  -4.863  -0.252
   72    HA   ARG  10           HA       ARG  10   1.928  -4.348   2.303
   73   1HB   ARG  10          1HB       ARG  10   0.951  -6.386   1.295
   74   2HB   ARG  10          2HB       ARG  10   2.574  -6.777   0.488
   75   1HG   ARG  10          2HG       ARG  10   3.383  -7.284   3.010
   76   2HG   ARG  10          1HG       ARG  10   1.636  -7.269   3.357
   77   1HD   ARG  10          1HD       ARG  10   1.129  -9.015   1.666
   78   2HD   ARG  10          2HD       ARG  10   2.535  -9.046   0.917
   79    HE   ARG  10           HE       ARG  10   2.286 -10.506   3.370
   80   1HH1  ARG  10          1HH2      ARG  10   4.490  -9.668   0.630
   81   2HH1  ARG  10          2HH2      ARG  10   5.584 -10.799   1.345
   82   1HH2  ARG  10          2HH1      ARG  10   3.800 -11.419   4.051
   83   2HH2  ARG  10          1HH1      ARG  10   5.417 -11.724   3.195
   84    H    ASN  11           H        ASN  11   4.354  -4.797  -0.018
   85    HA   ASN  11           HA       ASN  11   6.703  -3.999   1.807
   86   1HB   ASN  11          1HB       ASN  11   6.131  -3.527  -1.222
   87   2HB   ASN  11          2HB       ASN  11   7.349  -2.506  -0.490
   88   1HD2  ASN  11          2HD2      ASN  11   6.771  -5.562  -1.779
   89   2HD2  ASN  11          1HD2      ASN  11   8.280  -6.338  -1.330
   90    H    ARG  12           H        ARG  12   4.106  -1.723   0.599
   91    HA   ARG  12           HA       ARG  12   5.455   0.280   2.182
   92   1HB   ARG  12          2HB       ARG  12   4.130   1.753   1.317
   93   2HB   ARG  12          1HB       ARG  12   4.205   0.671  -0.015
   94   1HG   ARG  12          1HG       ARG  12   1.672   0.146   0.882
   95   2HG   ARG  12          2HG       ARG  12   1.927   1.167   2.068
   96   1HD   ARG  12          1HD       ARG  12   0.674   2.522   0.533
   97   2HD   ARG  12          2HD       ARG  12   2.427   3.133   0.619
   98    HE   ARG  12           HE       ARG  12   1.316   1.261  -1.904
   99   1HH1  ARG  12          1HH1      ARG  12   3.591   3.770  -0.723
  100   2HH1  ARG  12          2HH1      ARG  12   4.758   3.508  -2.041
  101   1HH2  ARG  12          1HH2      ARG  12   2.532   1.124  -3.639
  102   2HH2  ARG  12          2HH2      ARG  12   3.779   2.392  -3.736
  103    H    THR  13           H        THR  13   3.124  -1.991   2.834
  104    HA   THR  13           HA       THR  13   2.167  -0.547   5.308
  105    HB   THR  13           HB       THR  13   1.936  -3.711   4.831
  106    HG1  THR  13           HG1      THR  13   1.188  -2.326   3.208
  107   1HG2  THR  13          1HG2      THR  13   0.429  -1.507   6.714
  108   2HG2  THR  13          2HG2      THR  13  -0.366  -3.115   6.285
  109   3HG2  THR  13          3HG2      THR  13   1.133  -3.201   7.177
  110    H    ARG  14           H        ARG  14   4.870  -2.291   4.751
  111    HA   ARG  14           HA       ARG  14   5.762  -2.540   7.689
  112   1HB   ARG  14          1HB       ARG  14   7.585  -3.119   5.164
  113   2HB   ARG  14          2HB       ARG  14   7.992  -2.834   6.802
  114   1HG   ARG  14          2HG       ARG  14   7.738  -4.869   7.332
  115   2HG   ARG  14          1HG       ARG  14   6.109  -4.812   7.344
  116   1HD   ARG  14          1HD       ARG  14   5.646  -5.685   5.157
  117   2HD   ARG  14          2HD       ARG  14   7.021  -5.188   4.501
  118    HE   ARG  14           HE       ARG  14   8.473  -6.720   5.495
  119   1HH1  ARG  14          1HH1      ARG  14   4.983  -7.419   5.181
  120   2HH1  ARG  14          2HH1      ARG  14   5.117  -9.249   5.579
  121   1HH2  ARG  14          1HH2      ARG  14   8.695  -8.924   5.592
  122   2HH2  ARG  14          2HH2      ARG  14   7.300 -10.044   6.069
  123    H    HIS  15           H        HIS  15   5.442  -0.051   5.096
  124    HA   HIS  15           HA       HIS  15   7.735   1.580   6.007
  125   1HB   HIS  15          2HB       HIS  15   5.502   2.345   3.905
  126   2HB   HIS  15          1HB       HIS  15   6.840   3.417   4.363
  127    HD1  HIS  15           HD1      HIS  15   6.748   3.078   1.658
  128    HD2  HIS  15           HD2      HIS  15   8.425  -0.016   3.786
  129    HE1  HIS  15           HE1      HIS  15   8.428   1.958   0.166
  130    HE2  HIS  15           HE2      HIS  15   9.496  -0.279   1.703
  131    H    LEU  16           H        LEU  16   4.722   0.843   7.741
  132    HA   LEU  16           HA       LEU  16   3.447   3.482   8.029
  133   1HB   LEU  16          1HB       LEU  16   1.873   1.538   7.703
  134   2HB   LEU  16          2HB       LEU  16   2.388   0.807   9.106
  135    HG   LEU  16           HG       LEU  16   1.724   3.784   9.690
  136   1HD1  LEU  16          1HD2      LEU  16  -0.192   3.357   8.381
  137   2HD1  LEU  16          2HD2      LEU  16  -0.522   1.827   8.917
  138   3HD1  LEU  16          3HD2      LEU  16  -0.675   3.354  10.056
  139   1HD2  LEU  16          1HD1      LEU  16   1.642   2.865  11.923
  140   2HD2  LEU  16          2HD1      LEU  16   0.659   1.377  11.363
  141   3HD2  LEU  16          3HD1      LEU  16   2.537   1.633  11.265
  142    HA   PRO  17           HA       PRO  17   5.788   2.654  12.340
  143   1HB   PRO  17          1HB       PRO  17   8.633   1.407  11.391
  144   2HB   PRO  17          2HB       PRO  17   7.124   0.809  12.612
  145   1HG   PRO  17          1HG       PRO  17   7.910   0.073   9.716
  146   2HG   PRO  17          2HG       PRO  17   7.300  -0.880  11.010
  147   1HD   PRO  17          1HD       PRO  17   5.478   0.172   9.008
  148   2HD   PRO  17          2HD       PRO  17   4.778   0.128  10.656
  149    H    LEU  18           H        LEU  18   7.602   3.364   9.317
  150    HA   LEU  18           HA       LEU  18   8.766   6.005  10.216
  151   1HB   LEU  18          2HB       LEU  18   9.658   6.594   8.181
  152   2HB   LEU  18          1HB       LEU  18  10.085   5.022   8.558
  153    HG   LEU  18           HG       LEU  18   8.083   4.244   6.971
  154   1HD1  LEU  18          1HD1      LEU  18   8.781   6.844   5.452
  155   2HD1  LEU  18          2HD1      LEU  18   7.884   5.495   4.703
  156   3HD1  LEU  18          3HD1      LEU  18   7.029   6.344   6.128
  157   1HD2  LEU  18          1HD2      LEU  18  11.002   4.728   6.185
  158   2HD2  LEU  18          2HD2      LEU  18   9.825   4.051   5.046
  159   3HD2  LEU  18          3HD2      LEU  18  10.123   3.339   6.695
  160    H    GLN  19           H        GLN  19   5.927   5.323   8.325
  161    HA   GLN  19           HA       GLN  19   4.141   6.772   7.609
  162   1HB   GLN  19          1HB       GLN  19   3.968   6.280  10.100
  163   2HB   GLN  19          2HB       GLN  19   4.588   7.999  10.562
  164   1HG   GLN  19          2HG       GLN  19   2.499   9.080   9.899
  165   2HG   GLN  19          1HG       GLN  19   2.252   7.809   8.462
  166   1HE2  GLN  19          1HE2      GLN  19   2.771   6.058  11.291
  167   2HE2  GLN  19          2HE2      GLN  19   0.960   5.724  11.850
  168    H    PHE  20           H        PHE  20   6.448   7.980   6.539
  169    HA   PHE  20           HA       PHE  20   5.056  10.703   6.344
  170   1HB   PHE  20          2HB       PHE  20   7.129  11.625   5.302
  171   2HB   PHE  20          1HB       PHE  20   7.402  10.825   6.843
  172    HD1  PHE  20           HD1      PHE  20   9.591   9.761   7.068
  173    HD2  PHE  20           HD2      PHE  20   7.635  10.248   3.328
  174    HE1  PHE  20           HE1      PHE  20  11.430   8.555   5.914
  175    HE2  PHE  20           HE2      PHE  20   9.364   8.679   2.126
  176    HZ   PHE  20           HZ       PHE  20  11.334   8.087   3.395
  177    H    SER  21           H        SER  21   5.899   8.071   4.121
  178    HA   SER  21           HA       SER  21   3.924   9.233   1.809
  179   1HB   SER  21          2HB       SER  21   6.299   7.767   1.396
  180   2HB   SER  21          1HB       SER  21   5.033   6.382   1.656
  181    HG   SER  21           HG       SER  21   4.731   7.029  -0.385
  182    H    ARG  22           H        ARG  22   2.692   8.933   4.414
  183    HA   ARG  22           HA       ARG  22   0.996   6.733   4.432
  184   1HB   ARG  22          1HB       ARG  22  -0.722   7.711   5.780
  185   2HB   ARG  22          2HB       ARG  22   0.954   7.737   6.378
  186   1HG   ARG  22          1HG       ARG  22  -0.762  10.194   5.614
  187   2HG   ARG  22          2HG       ARG  22  -0.534   9.502   7.191
  188   1HD   ARG  22          1HD       ARG  22   1.859   9.767   7.372
  189   2HD   ARG  22          2HD       ARG  22   1.986  10.525   5.744
  190    HE   ARG  22           HE       ARG  22   0.173  12.143   6.973
  191   1HH1  ARG  22          1HH2      ARG  22   2.999  10.911   9.020
  192   2HH1  ARG  22          2HH2      ARG  22   2.165  12.012  10.261
  193   1HH2  ARG  22          1HH1      ARG  22  -0.342  13.189   8.787
  194   2HH2  ARG  22          2HH1      ARG  22   0.940  13.316   9.966
  195    H    THR  23           H        THR  23   0.698   9.429   2.658
  196    HA   THR  23           HA       THR  23  -1.919   8.604   1.084
  197    HB   THR  23           HB       THR  23  -1.581  10.917  -0.286
  198    HG1  THR  23           HG1      THR  23   0.383  11.025   1.231
  199   1HG2  THR  23          1HG2      THR  23  -2.980  12.079   1.163
  200   2HG2  THR  23          2HG2      THR  23  -3.593  10.321   1.256
  201   3HG2  THR  23          3HG2      THR  23  -2.730  11.112   2.573
  202    H    GLY  24           H        GLY  24   1.831   9.218   0.159
  203   1HA   GLY  24          1HA       GLY  24   2.803   8.759  -1.747
  204   2HA   GLY  24          2HA       GLY  24   1.738   7.534  -2.012
  205    HA   PRO  25           HA       PRO  25   0.713  10.926  -5.535
  206   1HB   PRO  25          1HB       PRO  25   2.793  11.639  -6.965
  207   2HB   PRO  25          2HB       PRO  25   2.095  12.432  -5.558
  208   1HG   PRO  25          1HG       PRO  25   4.871  10.958  -5.553
  209   2HG   PRO  25          2HG       PRO  25   4.178  12.339  -4.738
  210   1HD   PRO  25          1HD       PRO  25   4.117   9.593  -3.667
  211   2HD   PRO  25          2HD       PRO  25   3.490  11.094  -2.861
  212    H    LEU  26           H        LEU  26   1.561   7.764  -5.460
  213    HA   LEU  26           HA       LEU  26   1.836   7.030  -8.510
  214   1HB   LEU  26          2HB       LEU  26   2.806   5.702  -5.745
  215   2HB   LEU  26          1HB       LEU  26   2.296   4.891  -7.127
  216    HG   LEU  26           HG       LEU  26   4.353   6.638  -8.344
  217   1HD1  LEU  26          1HD2      LEU  26   4.988   6.718  -5.346
  218   2HD1  LEU  26          2HD2      LEU  26   5.096   8.007  -6.639
  219   3HD1  LEU  26          3HD2      LEU  26   6.215   6.778  -6.654
  220   1HD2  LEU  26          1HD1      LEU  26   6.091   4.813  -7.964
  221   2HD2  LEU  26          2HD1      LEU  26   4.494   4.290  -8.233
  222   3HD2  LEU  26          3HD1      LEU  26   5.263   4.229  -6.653
  223    H    CYS  27           H        CYS  27   0.484   5.723  -6.012
  224    HA   CYS  27           HA       CYS  27  -1.719   4.512  -7.638
  225   1HB   CYS  27          1HB       CYS  27  -2.109   2.428  -6.523
  226   2HB   CYS  27          2HB       CYS  27  -0.414   2.409  -7.032
  227    HG   CYS  27           HG       CYS  27   0.612   2.160  -4.893
  228    HA   PRO  28           HA       PRO  28  -3.809   7.407  -4.502
  229   1HB   PRO  28          1HB       PRO  28  -6.257   7.348  -5.737
  230   2HB   PRO  28          2HB       PRO  28  -4.986   8.435  -6.418
  231   1HG   PRO  28          1HG       PRO  28  -6.227   5.773  -7.136
  232   2HG   PRO  28          2HG       PRO  28  -5.655   7.115  -8.262
  233   1HD   PRO  28          1HD       PRO  28  -4.274   4.488  -7.617
  234   2HD   PRO  28          2HD       PRO  28  -3.428   5.927  -8.148
  235    H    ALA  29           H        ALA  29  -3.543   5.823  -3.277
  236    HA   ALA  29           HA       ALA  29  -4.119   4.442  -1.213
  237   1HB   ALA  29          1HB       ALA  29  -7.142   4.839  -1.648
  238   2HB   ALA  29          2HB       ALA  29  -6.479   4.299  -0.280
  239   3HB   ALA  29          3HB       ALA  29  -6.134   5.986  -0.872
  240    H    CYS  30           H        CYS  30  -3.136   2.939  -2.660
  241    HA   CYS  30           HA       CYS  30  -4.991   0.601  -3.280
  242   1HB   CYS  30          1HB       CYS  30  -3.345   1.694  -5.100
  243   2HB   CYS  30          2HB       CYS  30  -1.972   0.998  -4.103
  244    HG   CYS  30           HG       CYS  30  -3.283   0.248  -6.533
  245    H    MET  31           H        MET  31  -3.558   1.553  -0.446
  246    HA   MET  31           HA       MET  31  -2.253  -1.019   0.325
  247   1HB   MET  31          2HB       MET  31  -1.332   0.949   1.236
  248   2HB   MET  31          1HB       MET  31  -2.860   1.359   2.201
  249   1HG   MET  31          2HG       MET  31  -1.793  -1.453   2.826
  250   2HG   MET  31          1HG       MET  31  -0.449  -0.169   2.777
  251   1HE   MET  31          1HE       MET  31  -4.377   0.222   4.396
  252   2HE   MET  31          2HE       MET  31  -3.928   1.516   5.702
  253   3HE   MET  31          3HE       MET  31  -4.109   1.908   3.996
  254    H    LYS  32           H        LYS  32  -5.518   0.576   0.764
  255    HA   LYS  32           HA       LYS  32  -6.248  -1.329   2.720
  256   1HB   LYS  32          1HB       LYS  32  -8.498  -0.448   2.509
  257   2HB   LYS  32          2HB       LYS  32  -7.336   0.760   2.992
  258   1HG   LYS  32          1HG       LYS  32  -7.102   1.544   0.810
  259   2HG   LYS  32          2HG       LYS  32  -8.513   0.684   0.185
  260   1HD   LYS  32          2HD       LYS  32  -9.789   1.939   2.177
  261   2HD   LYS  32          1HD       LYS  32  -8.198   2.912   2.425
  262   1HE   LYS  32          1HE       LYS  32  -8.364   3.964   0.252
  263   2HE   LYS  32          2HE       LYS  32  -9.454   2.757  -0.381
  264   1HZ   LYS  32          1HZ       LYS  32 -10.739   4.734   0.023
  265   2HZ   LYS  32          2HZ       LYS  32 -11.193   3.897   1.296
  266   3HZ   LYS  32          3HZ       LYS  32 -10.001   5.149   1.420
  267    H    ALA  33           H        ALA  33  -7.165  -1.051  -0.600
  268    HA   ALA  33           HA       ALA  33  -8.304  -3.595  -0.787
  269   1HB   ALA  33          1HB       ALA  33  -8.323  -2.140  -3.076
  270   2HB   ALA  33          2HB       ALA  33  -6.735  -2.701  -3.370
  271   3HB   ALA  33          3HB       ALA  33  -8.126  -3.827  -3.339
  272    H    THR  34           H        THR  34  -4.681  -3.564  -1.068
  273    HA   THR  34           HA       THR  34  -4.059  -6.266  -0.855
  274    HB   THR  34           HB       THR  34  -3.033  -4.129   1.350
  275    HG1  THR  34           HG1      THR  34  -3.265  -3.984  -1.269
  276   1HG2  THR  34          1HG2      THR  34  -1.738  -6.590  -0.194
  277   2HG2  THR  34          2HG2      THR  34  -0.886  -5.092   0.509
  278   3HG2  THR  34          3HG2      THR  34  -1.702  -6.091   1.571
  279    H    LEU  35           H        LEU  35  -5.405  -4.294   1.784
  280    HA   LEU  35           HA       LEU  35  -5.449  -5.949   4.174
  281   1HB   LEU  35          2HB       LEU  35  -6.051  -3.353   3.438
  282   2HB   LEU  35          1HB       LEU  35  -7.518  -3.910   4.232
  283    HG   LEU  35           HG       LEU  35  -5.886  -5.082   5.915
  284   1HD1  LEU  35          1HD1      LEU  35  -3.977  -2.825   5.614
  285   2HD1  LEU  35          2HD1      LEU  35  -3.731  -3.884   4.334
  286   3HD1  LEU  35          3HD1      LEU  35  -3.732  -4.619   6.096
  287   1HD2  LEU  35          1HD2      LEU  35  -7.655  -3.539   6.579
  288   2HD2  LEU  35          2HD2      LEU  35  -6.059  -3.215   7.549
  289   3HD2  LEU  35          3HD2      LEU  35  -6.478  -2.082   6.283
  290    H    GLN  36           H        GLN  36  -8.081  -5.757   1.318
  291    HA   GLN  36           HA       GLN  36  -9.833  -7.516   2.983
  292   1HB   GLN  36          1HB       GLN  36 -10.067  -6.410   0.170
  293   2HB   GLN  36          2HB       GLN  36 -11.096  -7.768   0.504
  294   1HG   GLN  36          1HG       GLN  36 -12.325  -6.618   2.296
  295   2HG   GLN  36          2HG       GLN  36 -11.173  -5.225   2.394
  296   1HE2  GLN  36          2HE2      GLN  36 -14.377  -6.407   1.055
  297   2HE2  GLN  36          1HE2      GLN  36 -13.876  -5.607  -0.704
  298    HA   PRO  37           HA       PRO  37  -7.985 -11.172  -0.097
  299   1HB   PRO  37          1HB       PRO  37  -5.415 -10.679  -1.288
  300   2HB   PRO  37          2HB       PRO  37  -6.875 -10.636  -2.051
  301   1HG   PRO  37          1HG       PRO  37  -5.528  -7.952  -1.532
  302   2HG   PRO  37          2HG       PRO  37  -7.079  -8.553  -2.483
  303   1HD   PRO  37          1HD       PRO  37  -7.033  -7.342   0.117
  304   2HD   PRO  37          2HD       PRO  37  -8.244  -7.841  -1.067
  305    H    GLU  38           H        GLU  38  -5.471  -9.237   2.014
  306    HA   GLU  38           HA       GLU  38  -3.794 -11.616   2.387
  307   1HB   GLU  38          1HB       GLU  38  -2.413 -10.628   3.828
  308   2HB   GLU  38          2HB       GLU  38  -2.854  -9.637   2.383
  309   1HG   GLU  38          1HG       GLU  38  -4.285  -8.172   3.936
  310   2HG   GLU  38          2HG       GLU  38  -4.094  -9.046   5.244
  Start of MODEL   20
    1   1H    TRP   1          1H        TRP   1  -3.947  -0.659 -11.607
    2   2H    TRP   1          2H        TRP   1  -3.625  -2.389 -11.314
    3   3H    TRP   1          3H        TRP   1  -5.181  -1.879 -11.481
    4    HA   TRP   1           HA       TRP   1  -3.265  -0.871  -9.485
    5   1HB   TRP   1          1HB       TRP   1  -5.179  -0.611  -7.834
    6   2HB   TRP   1          2HB       TRP   1  -4.984   0.275  -9.453
    7    HD1  TRP   1           HD1      TRP   1  -6.977  -0.657 -11.511
    8    HE1  TRP   1           HE1      TRP   1  -9.853  -0.519 -11.148
    9    HE3  TRP   1           HE3      TRP   1  -6.979  -1.111  -6.507
   10    HZ2  TRP   1           HZ2      TRP   1 -11.373  -0.061  -8.760
   11    HZ3  TRP   1           HZ3      TRP   1  -8.948  -0.763  -5.159
   12    HH2  TRP   1           HH2      TRP   1 -11.137  -0.664  -6.230
   13    H    LEU   2           H        LEU   2  -3.779  -3.777 -10.743
   14    HA   LEU   2           HA       LEU   2  -4.323  -5.445  -8.294
   15   1HB   LEU   2          1HB       LEU   2  -4.095  -6.009 -11.296
   16   2HB   LEU   2          2HB       LEU   2  -4.380  -7.294 -10.078
   17    HG   LEU   2           HG       LEU   2  -6.536  -5.422  -9.564
   18   1HD1  LEU   2          1HD1      LEU   2  -6.243  -5.525 -12.482
   19   2HD1  LEU   2          2HD1      LEU   2  -7.624  -5.181 -11.491
   20   3HD1  LEU   2          3HD1      LEU   2  -7.494  -6.683 -12.105
   21   1HD2  LEU   2          1HD2      LEU   2  -6.689  -8.554 -10.360
   22   2HD2  LEU   2          2HD2      LEU   2  -8.043  -7.291  -9.839
   23   3HD2  LEU   2          3HD2      LEU   2  -6.618  -7.613  -8.593
   24    H    ILE   3           H        ILE   3  -1.956  -5.458 -10.786
   25    HA   ILE   3           HA       ILE   3  -0.094  -7.228  -9.183
   26    HB   ILE   3           HB       ILE   3   0.057  -6.829 -11.951
   27   1HG1  ILE   3          1HG1      ILE   3   2.511  -6.734 -12.078
   28   2HG1  ILE   3          2HG1      ILE   3   2.496  -6.517 -10.296
   29   1HG2  ILE   3          1HG2      ILE   3  -0.366  -4.473 -12.019
   30   2HG2  ILE   3          2HG2      ILE   3   1.179  -4.059 -10.922
   31   3HG2  ILE   3          3HG2      ILE   3   1.188  -4.742 -12.664
   32   1HD1  ILE   3          1HD1      ILE   3   3.050  -8.823 -10.642
   33   2HD1  ILE   3          2HD1      ILE   3   1.264  -8.755 -10.323
   34   3HD1  ILE   3          3HD1      ILE   3   1.874  -8.877 -11.962
   35    H    CYS   4           H        CYS   4  -0.982  -4.272  -8.727
   36    HA   CYS   4           HA       CYS   4   1.186  -2.707  -7.421
   37   1HB   CYS   4          2HB       CYS   4  -0.711  -1.535  -8.710
   38   2HB   CYS   4          1HB       CYS   4  -1.511  -1.629  -7.164
   39    HG   CYS   4           HG       CYS   4   1.357  -0.041  -7.747
   40    H    GLU   5           H        GLU   5  -1.918  -3.202  -6.440
   41    HA   GLU   5           HA       GLU   5  -1.681  -3.166  -3.741
   42   1HB   GLU   5          2HB       GLU   5  -3.968  -4.513  -3.426
   43   2HB   GLU   5          1HB       GLU   5  -3.713  -3.137  -4.775
   44   1HG   GLU   5          1HG       GLU   5  -3.362  -5.019  -6.345
   45   2HG   GLU   5          2HG       GLU   5  -3.874  -6.291  -5.031
   46    H    GLU   6           H        GLU   6  -1.372  -6.606  -5.211
   47    HA   GLU   6           HA       GLU   6  -0.816  -7.803  -2.470
   48   1HB   GLU   6          1HB       GLU   6  -1.975  -9.092  -4.481
   49   2HB   GLU   6          2HB       GLU   6  -0.548  -9.377  -5.284
   50   1HG   GLU   6          2HG       GLU   6  -1.612 -11.273  -4.057
   51   2HG   GLU   6          1HG       GLU   6   0.230 -11.107  -3.496
   52    HA   PRO   7           HA       PRO   7   3.675  -7.986  -3.149
   53   1HB   PRO   7          1HB       PRO   7   5.118  -6.965  -5.578
   54   2HB   PRO   7          2HB       PRO   7   4.538  -8.667  -5.175
   55   1HG   PRO   7          1HG       PRO   7   3.163  -6.395  -6.763
   56   2HG   PRO   7          2HG       PRO   7   3.181  -8.031  -7.154
   57   1HD   PRO   7          1HD       PRO   7   1.078  -6.930  -6.022
   58   2HD   PRO   7          2HD       PRO   7   1.609  -8.573  -5.892
   59    H    THR   8           H        THR   8   2.535  -5.018  -4.333
   60    HA   THR   8           HA       THR   8   5.050  -3.505  -3.846
   61    HB   THR   8           HB       THR   8   2.516  -2.141  -4.920
   62    HG1  THR   8           HG1      THR   8   4.297  -2.380  -6.668
   63   1HG2  THR   8          1HG2      THR   8   4.594  -0.753  -6.122
   64   2HG2  THR   8          2HG2      THR   8   3.727  -0.406  -4.627
   65   3HG2  THR   8          3HG2      THR   8   5.426  -1.032  -4.395
   66    H    CYS   9           H        CYS   9   1.849  -3.382  -2.931
   67    HA   CYS   9           HA       CYS   9   1.792  -1.067  -1.165
   68   1HB   CYS   9          1HB       CYS   9  -0.399  -2.963  -1.882
   69   2HB   CYS   9          2HB       CYS   9  -0.720  -1.650  -1.133
   70    HG   CYS   9           HG       CYS   9  -0.451   0.181  -2.188
   71    H    ARG  10           H        ARG  10   1.170  -4.594  -0.266
   72    HA   ARG  10           HA       ARG  10   1.875  -4.469   2.374
   73   1HB   ARG  10          1HB       ARG  10   1.053  -6.511   1.089
   74   2HB   ARG  10          2HB       ARG  10   2.556  -6.661   0.437
   75   1HG   ARG  10          2HG       ARG  10   3.500  -7.372   2.677
   76   2HG   ARG  10          1HG       ARG  10   1.984  -7.287   3.426
   77   1HD   ARG  10          1HD       ARG  10   1.138  -8.883   1.907
   78   2HD   ARG  10          2HD       ARG  10   2.536  -8.635   0.825
   79    HE   ARG  10           HE       ARG  10   2.222 -10.236   3.558
   80   1HH1  ARG  10          1HH2      ARG  10   4.287  -9.746   0.600
   81   2HH1  ARG  10          2HH2      ARG  10   5.638 -10.812   1.421
   82   1HH2  ARG  10          2HH1      ARG  10   3.818 -11.436   4.153
   83   2HH2  ARG  10          1HH1      ARG  10   5.336 -11.625   3.211
   84    H    ASN  11           H        ASN  11   4.513  -4.735  -0.118
   85    HA   ASN  11           HA       ASN  11   6.555  -4.239   1.778
   86   1HB   ASN  11          1HB       ASN  11   6.200  -3.541  -1.138
   87   2HB   ASN  11          2HB       ASN  11   7.526  -2.651  -0.391
   88   1HD2  ASN  11          2HD2      ASN  11   6.925  -5.232  -2.030
   89   2HD2  ASN  11          1HD2      ASN  11   8.417  -6.256  -1.587
   90    H    ARG  12           H        ARG  12   4.325  -1.897   0.449
   91    HA   ARG  12           HA       ARG  12   5.407   0.362   2.198
   92   1HB   ARG  12          2HB       ARG  12   4.114   1.821   1.283
   93   2HB   ARG  12          1HB       ARG  12   4.188   0.813  -0.019
   94   1HG   ARG  12          1HG       ARG  12   1.616   0.203   0.576
   95   2HG   ARG  12          2HG       ARG  12   1.886   1.353   1.991
   96   1HD   ARG  12          1HD       ARG  12   0.768   2.366   0.331
   97   2HD   ARG  12          2HD       ARG  12   2.311   3.186   0.442
   98    HE   ARG  12           HE       ARG  12   1.433   1.094  -1.630
   99   1HH1  ARG  12          1HH1      ARG  12   3.690   3.563  -0.553
  100   2HH1  ARG  12          2HH1      ARG  12   4.782   3.360  -2.083
  101   1HH2  ARG  12          1HH2      ARG  12   2.484   1.118  -3.383
  102   2HH2  ARG  12          2HH2      ARG  12   3.869   2.367  -3.740
  103    H    THR  13           H        THR  13   3.026  -2.359   3.095
  104    HA   THR  13           HA       THR  13   2.012  -0.660   5.223
  105    HB   THR  13           HB       THR  13   2.078  -3.728   5.073
  106    HG1  THR  13           HG1      THR  13   1.095  -2.044   3.263
  107   1HG2  THR  13          1HG2      THR  13   0.527  -1.427   6.589
  108   2HG2  THR  13          2HG2      THR  13  -0.403  -2.676   6.003
  109   3HG2  THR  13          3HG2      THR  13   0.781  -3.163   7.400
  110    H    ARG  14           H        ARG  14   4.694  -2.567   4.679
  111    HA   ARG  14           HA       ARG  14   5.764  -2.223   7.804
  112   1HB   ARG  14          1HB       ARG  14   7.474  -2.905   5.166
  113   2HB   ARG  14          2HB       ARG  14   8.135  -2.919   6.688
  114   1HG   ARG  14          2HG       ARG  14   7.804  -5.046   7.192
  115   2HG   ARG  14          1HG       ARG  14   6.047  -4.539   7.296
  116   1HD   ARG  14          1HD       ARG  14   5.512  -5.789   5.231
  117   2HD   ARG  14          2HD       ARG  14   7.092  -5.273   4.468
  118    HE   ARG  14           HE       ARG  14   8.405  -6.920   5.659
  119   1HH1  ARG  14          1HH1      ARG  14   5.064  -7.350   5.242
  120   2HH1  ARG  14          2HH1      ARG  14   5.077  -9.197   5.390
  121   1HH2  ARG  14          1HH2      ARG  14   8.755  -8.865   5.644
  122   2HH2  ARG  14          2HH2      ARG  14   7.389 -10.055   5.999
  123    H    HIS  15           H        HIS  15   5.284  -0.108   5.360
  124    HA   HIS  15           HA       HIS  15   7.714   1.686   5.921
  125   1HB   HIS  15          2HB       HIS  15   5.501   2.498   3.881
  126   2HB   HIS  15          1HB       HIS  15   6.763   3.307   4.547
  127    HD1  HIS  15           HD1      HIS  15   7.001   3.215   1.530
  128    HD2  HIS  15           HD2      HIS  15   8.475   0.087   3.975
  129    HE1  HIS  15           HE1      HIS  15   8.403   1.419   0.103
  130    HE2  HIS  15           HE2      HIS  15   9.342  -0.199   1.215
  131    H    LEU  16           H        LEU  16   4.840   0.760   7.366
  132    HA   LEU  16           HA       LEU  16   3.497   3.339   7.659
  133   1HB   LEU  16          1HB       LEU  16   1.618   1.788   7.784
  134   2HB   LEU  16          2HB       LEU  16   2.370   0.804   9.192
  135    HG   LEU  16           HG       LEU  16   1.905   3.829   9.631
  136   1HD1  LEU  16          1HD2      LEU  16  -0.520   3.535   8.568
  137   2HD1  LEU  16          2HD2      LEU  16  -0.467   1.756   9.334
  138   3HD1  LEU  16          3HD2      LEU  16  -0.523   3.011  10.306
  139   1HD2  LEU  16          1HD1      LEU  16   1.562   3.199  11.810
  140   2HD2  LEU  16          2HD1      LEU  16   0.751   1.630  11.636
  141   3HD2  LEU  16          3HD1      LEU  16   2.595   1.602  11.432
  142    HA   PRO  17           HA       PRO  17   6.134   2.744  12.497
  143   1HB   PRO  17          1HB       PRO  17   8.635   1.529  11.705
  144   2HB   PRO  17          2HB       PRO  17   7.573   0.902  12.845
  145   1HG   PRO  17          1HG       PRO  17   7.966   0.198   9.882
  146   2HG   PRO  17          2HG       PRO  17   7.002  -0.787  11.276
  147   1HD   PRO  17          1HD       PRO  17   5.761   0.380   9.032
  148   2HD   PRO  17          2HD       PRO  17   4.924   0.061  10.791
  149    H    LEU  18           H        LEU  18   7.486   3.314   9.326
  150    HA   LEU  18           HA       LEU  18   9.015   5.942  10.128
  151   1HB   LEU  18          2HB       LEU  18   9.553   6.600   8.054
  152   2HB   LEU  18          1HB       LEU  18  10.187   5.007   8.489
  153    HG   LEU  18           HG       LEU  18   8.138   4.195   6.811
  154   1HD1  LEU  18          1HD1      LEU  18   8.371   7.113   5.565
  155   2HD1  LEU  18          2HD1      LEU  18   7.689   5.458   4.894
  156   3HD1  LEU  18          3HD1      LEU  18   7.064   6.320   6.220
  157   1HD2  LEU  18          1HD2      LEU  18  10.875   5.325   6.161
  158   2HD2  LEU  18          2HD2      LEU  18   9.959   3.983   5.240
  159   3HD2  LEU  18          3HD2      LEU  18  10.362   3.626   6.850
  160    H    GLN  19           H        GLN  19   6.068   5.408   8.150
  161    HA   GLN  19           HA       GLN  19   4.275   6.722   7.774
  162   1HB   GLN  19          1HB       GLN  19   3.860   6.400  10.222
  163   2HB   GLN  19          2HB       GLN  19   4.505   7.971  10.514
  164   1HG   GLN  19          2HG       GLN  19   2.404   9.050   9.950
  165   2HG   GLN  19          1HG       GLN  19   2.147   7.945   8.429
  166   1HE2  GLN  19          1HE2      GLN  19   2.573   5.892  10.989
  167   2HE2  GLN  19          2HE2      GLN  19   0.887   5.564  11.408
  168    H    PHE  20           H        PHE  20   6.325   8.084   6.184
  169    HA   PHE  20           HA       PHE  20   5.274  10.951   6.242
  170   1HB   PHE  20          2HB       PHE  20   7.042  11.699   5.230
  171   2HB   PHE  20          1HB       PHE  20   7.359  11.002   6.737
  172    HD1  PHE  20           HD1      PHE  20   9.523   9.843   7.043
  173    HD2  PHE  20           HD2      PHE  20   7.586   9.852   3.139
  174    HE1  PHE  20           HE1      PHE  20  11.560   8.482   5.813
  175    HE2  PHE  20           HE2      PHE  20   9.312   8.972   2.142
  176    HZ   PHE  20           HZ       PHE  20  11.455   8.118   3.685
  177    H    SER  21           H        SER  21   5.923   7.880   4.033
  178    HA   SER  21           HA       SER  21   4.156   9.397   2.063
  179   1HB   SER  21          2HB       SER  21   6.289   7.718   1.321
  180   2HB   SER  21          1HB       SER  21   5.186   6.358   1.596
  181    HG   SER  21           HG       SER  21   4.573   7.018  -0.264
  182    H    ARG  22           H        ARG  22   2.878   8.823   4.350
  183    HA   ARG  22           HA       ARG  22   0.833   6.598   4.270
  184   1HB   ARG  22          1HB       ARG  22  -0.602   7.614   5.887
  185   2HB   ARG  22          2HB       ARG  22   1.184   7.850   6.308
  186   1HG   ARG  22          1HG       ARG  22  -0.716  10.328   5.517
  187   2HG   ARG  22          2HG       ARG  22  -0.492   9.495   7.089
  188   1HD   ARG  22          1HD       ARG  22   1.784   9.649   7.110
  189   2HD   ARG  22          2HD       ARG  22   1.873  10.533   5.608
  190    HE   ARG  22           HE       ARG  22   0.262  12.345   7.063
  191   1HH1  ARG  22          1HH2      ARG  22   2.591  10.664   8.887
  192   2HH1  ARG  22          2HH2      ARG  22   2.354  11.846  10.289
  193   1HH2  ARG  22          1HH1      ARG  22  -0.347  12.921   8.393
  194   2HH2  ARG  22          2HH1      ARG  22   0.682  13.475   9.952
  195    H    THR  23           H        THR  23   0.673   9.391   2.530
  196    HA   THR  23           HA       THR  23  -1.855   8.545   1.267
  197    HB   THR  23           HB       THR  23  -1.679  10.669  -0.204
  198    HG1  THR  23           HG1      THR  23   0.267  11.081   1.505
  199   1HG2  THR  23          1HG2      THR  23  -3.348  11.864   1.226
  200   2HG2  THR  23          2HG2      THR  23  -3.422  10.252   1.238
  201   3HG2  THR  23          3HG2      THR  23  -2.729  10.956   2.671
  202    H    GLY  24           H        GLY  24   1.614   9.449   0.211
  203   1HA   GLY  24          1HA       GLY  24   2.754   8.932  -1.820
  204   2HA   GLY  24          2HA       GLY  24   1.902   7.497  -1.933
  205    HA   PRO  25           HA       PRO  25   0.552  10.696  -5.566
  206   1HB   PRO  25          1HB       PRO  25   2.934  11.557  -6.929
  207   2HB   PRO  25          2HB       PRO  25   2.187  12.283  -5.552
  208   1HG   PRO  25          1HG       PRO  25   4.551  10.516  -5.403
  209   2HG   PRO  25          2HG       PRO  25   4.381  12.194  -4.697
  210   1HD   PRO  25          1HD       PRO  25   4.182   9.554  -3.698
  211   2HD   PRO  25          2HD       PRO  25   3.391  11.022  -2.856
  212    H    LEU  26           H        LEU  26   1.739   7.718  -5.476
  213    HA   LEU  26           HA       LEU  26   2.205   7.176  -8.321
  214   1HB   LEU  26          2HB       LEU  26   2.728   5.757  -5.923
  215   2HB   LEU  26          1HB       LEU  26   2.981   4.667  -7.226
  216    HG   LEU  26           HG       LEU  26   4.182   6.538  -8.357
  217   1HD1  LEU  26          1HD2      LEU  26   5.188   6.890  -5.399
  218   2HD1  LEU  26          2HD2      LEU  26   4.986   8.111  -6.596
  219   3HD1  LEU  26          3HD2      LEU  26   6.255   6.885  -6.599
  220   1HD2  LEU  26          1HD1      LEU  26   6.044   5.138  -8.008
  221   2HD2  LEU  26          2HD1      LEU  26   4.834   4.089  -8.420
  222   3HD2  LEU  26          3HD1      LEU  26   5.296   4.154  -6.760
  223    H    CYS  27           H        CYS  27   0.343   5.310  -5.871
  224    HA   CYS  27           HA       CYS  27  -1.767   4.311  -7.675
  225   1HB   CYS  27          1HB       CYS  27  -2.162   2.549  -6.350
  226   2HB   CYS  27          2HB       CYS  27  -0.374   2.442  -6.766
  227    HG   CYS  27           HG       CYS  27   0.806   2.190  -4.845
  228    HA   PRO  28           HA       PRO  28  -3.599   7.262  -4.731
  229   1HB   PRO  28          1HB       PRO  28  -6.263   7.729  -5.638
  230   2HB   PRO  28          2HB       PRO  28  -4.668   8.286  -6.379
  231   1HG   PRO  28          1HG       PRO  28  -6.172   5.675  -7.307
  232   2HG   PRO  28          2HG       PRO  28  -5.572   6.876  -8.405
  233   1HD   PRO  28          1HD       PRO  28  -4.213   4.754  -7.810
  234   2HD   PRO  28          2HD       PRO  28  -3.216   6.140  -8.162
  235    H    ALA  29           H        ALA  29  -3.613   5.958  -2.944
  236    HA   ALA  29           HA       ALA  29  -3.965   4.536  -1.420
  237   1HB   ALA  29          1HB       ALA  29  -7.030   5.069  -1.895
  238   2HB   ALA  29          2HB       ALA  29  -6.062   4.366  -0.248
  239   3HB   ALA  29          3HB       ALA  29  -5.894   5.762  -0.635
  240    H    CYS  30           H        CYS  30  -3.236   3.053  -2.767
  241    HA   CYS  30           HA       CYS  30  -4.835   0.503  -3.270
  242   1HB   CYS  30          1HB       CYS  30  -3.196   1.847  -4.826
  243   2HB   CYS  30          2HB       CYS  30  -2.027   0.905  -4.044
  244    HG   CYS  30           HG       CYS  30  -3.596   0.260  -6.422
  245    H    MET  31           H        MET  31  -3.488   1.511  -0.591
  246    HA   MET  31           HA       MET  31  -2.210  -1.203   0.305
  247   1HB   MET  31          2HB       MET  31  -1.374   1.128   1.296
  248   2HB   MET  31          1HB       MET  31  -2.740   1.334   2.077
  249   1HG   MET  31          2HG       MET  31  -1.945  -1.424   2.847
  250   2HG   MET  31          1HG       MET  31  -0.383  -0.538   2.633
  251   1HE   MET  31          1HE       MET  31  -4.559   0.310   4.338
  252   2HE   MET  31          2HE       MET  31  -4.001   1.078   5.676
  253   3HE   MET  31          3HE       MET  31  -3.874   2.008   4.167
  254    H    LYS  32           H        LYS  32  -5.489   0.553   0.761
  255    HA   LYS  32           HA       LYS  32  -6.546  -1.379   2.834
  256   1HB   LYS  32          1HB       LYS  32  -8.601  -0.378   2.451
  257   2HB   LYS  32          2HB       LYS  32  -7.311   0.624   3.023
  258   1HG   LYS  32          1HG       LYS  32  -7.208   1.442   0.487
  259   2HG   LYS  32          2HG       LYS  32  -8.699   0.550   0.312
  260   1HD   LYS  32          2HD       LYS  32  -9.639   2.054   2.313
  261   2HD   LYS  32          1HD       LYS  32  -8.185   2.901   2.313
  262   1HE   LYS  32          1HE       LYS  32  -8.306   3.965   0.438
  263   2HE   LYS  32          2HE       LYS  32  -9.343   3.033  -0.533
  264   1HZ   LYS  32          1HZ       LYS  32 -10.306   4.793   0.026
  265   2HZ   LYS  32          2HZ       LYS  32 -11.141   3.673   1.035
  266   3HZ   LYS  32          3HZ       LYS  32 -10.203   4.834   1.757
  267    H    ALA  33           H        ALA  33  -7.293  -1.189  -0.904
  268    HA   ALA  33           HA       ALA  33  -8.288  -3.555  -0.910
  269   1HB   ALA  33          1HB       ALA  33  -8.169  -2.050  -2.791
  270   2HB   ALA  33          2HB       ALA  33  -6.557  -2.733  -3.173
  271   3HB   ALA  33          3HB       ALA  33  -7.891  -3.950  -3.201
  272    H    THR  34           H        THR  34  -4.914  -3.542  -1.162
  273    HA   THR  34           HA       THR  34  -4.141  -6.008  -0.987
  274    HB   THR  34           HB       THR  34  -3.121  -4.534   1.369
  275    HG1  THR  34           HG1      THR  34  -2.709  -4.048  -1.487
  276   1HG2  THR  34          1HG2      THR  34  -1.534  -6.547  -0.192
  277   2HG2  THR  34          2HG2      THR  34  -0.846  -5.118   0.194
  278   3HG2  THR  34          3HG2      THR  34  -1.519  -6.086   1.449
  279    H    LEU  35           H        LEU  35  -5.331  -4.308   1.824
  280    HA   LEU  35           HA       LEU  35  -5.616  -6.211   4.043
  281   1HB   LEU  35          2HB       LEU  35  -6.320  -3.333   3.327
  282   2HB   LEU  35          1HB       LEU  35  -7.659  -4.294   4.091
  283    HG   LEU  35           HG       LEU  35  -5.785  -5.153   5.765
  284   1HD1  LEU  35          1HD1      LEU  35  -4.007  -2.745   5.550
  285   2HD1  LEU  35          2HD1      LEU  35  -3.987  -4.178   4.370
  286   3HD1  LEU  35          3HD1      LEU  35  -3.631  -4.332   6.111
  287   1HD2  LEU  35          1HD2      LEU  35  -7.684  -3.605   6.542
  288   2HD2  LEU  35          2HD2      LEU  35  -6.119  -3.638   7.438
  289   3HD2  LEU  35          3HD2      LEU  35  -6.452  -2.254   6.180
  290    H    GLN  36           H        GLN  36  -8.142  -5.794   1.273
  291    HA   GLN  36           HA       GLN  36  -9.916  -7.656   3.016
  292   1HB   GLN  36          1HB       GLN  36 -10.186  -6.392   0.082
  293   2HB   GLN  36          2HB       GLN  36 -11.165  -7.822   0.756
  294   1HG   GLN  36          1HG       GLN  36 -12.169  -6.582   2.565
  295   2HG   GLN  36          2HG       GLN  36 -11.052  -5.213   2.307
  296   1HE2  GLN  36          2HE2      GLN  36 -14.353  -6.666   0.981
  297   2HE2  GLN  36          1HE2      GLN  36 -14.185  -5.597  -0.577
  298    HA   PRO  37           HA       PRO  37  -7.912 -11.367  -0.177
  299   1HB   PRO  37          1HB       PRO  37  -5.270 -10.330  -1.245
  300   2HB   PRO  37          2HB       PRO  37  -6.801 -10.613  -2.067
  301   1HG   PRO  37          1HG       PRO  37  -5.634  -8.105  -1.662
  302   2HG   PRO  37          2HG       PRO  37  -7.002  -8.480  -2.542
  303   1HD   PRO  37          1HD       PRO  37  -6.906  -7.432   0.127
  304   2HD   PRO  37          2HD       PRO  37  -8.361  -7.487  -0.807
  305    H    GLU  38           H        GLU  38  -5.636  -9.303   1.841
  306    HA   GLU  38           HA       GLU  38  -3.964 -11.873   2.500
  307   1HB   GLU  38          1HB       GLU  38  -2.236 -10.401   3.568
  308   2HB   GLU  38          2HB       GLU  38  -3.049  -9.415   2.542
  309   1HG   GLU  38          1HG       GLU  38  -4.206  -8.256   3.755
  310   2HG   GLU  38          2HG       GLU  38  -3.457  -8.923   5.420
  Start of MODEL   21
    1   1H    TRP   1          1H        TRP   1  -4.075  -0.793 -11.742
    2   2H    TRP   1          2H        TRP   1  -3.560  -2.230 -11.478
    3   3H    TRP   1          3H        TRP   1  -5.186  -1.971 -11.458
    4    HA   TRP   1           HA       TRP   1  -3.178  -1.159  -9.349
    5   1HB   TRP   1          1HB       TRP   1  -5.035  -0.899  -7.764
    6   2HB   TRP   1          2HB       TRP   1  -4.984   0.383  -9.170
    7    HD1  TRP   1           HD1      TRP   1  -6.989  -0.367 -11.327
    8    HE1  TRP   1           HE1      TRP   1  -9.573  -0.368 -11.162
    9    HE3  TRP   1           HE3      TRP   1  -7.176  -1.060  -6.331
   10    HZ2  TRP   1           HZ2      TRP   1 -11.367  -0.196  -8.728
   11    HZ3  TRP   1           HZ3      TRP   1  -9.312  -0.486  -5.213
   12    HH2  TRP   1           HH2      TRP   1 -11.231  -0.058  -6.440
   13    H    LEU   2           H        LEU   2  -3.851  -3.910 -10.824
   14    HA   LEU   2           HA       LEU   2  -4.568  -5.301  -8.394
   15   1HB   LEU   2          1HB       LEU   2  -4.463  -6.205 -11.382
   16   2HB   LEU   2          2HB       LEU   2  -4.478  -7.284 -10.121
   17    HG   LEU   2           HG       LEU   2  -6.519  -5.487  -9.520
   18   1HD1  LEU   2          1HD1      LEU   2  -6.100  -5.585 -12.432
   19   2HD1  LEU   2          2HD1      LEU   2  -7.441  -4.962 -11.741
   20   3HD1  LEU   2          3HD1      LEU   2  -7.291  -6.824 -12.188
   21   1HD2  LEU   2          1HD2      LEU   2  -6.719  -8.586 -10.373
   22   2HD2  LEU   2          2HD2      LEU   2  -8.156  -7.400  -9.759
   23   3HD2  LEU   2          3HD2      LEU   2  -6.681  -7.866  -8.766
   24    H    ILE   3           H        ILE   3  -2.038  -5.391 -10.633
   25    HA   ILE   3           HA       ILE   3  -0.239  -7.144  -9.290
   26    HB   ILE   3           HB       ILE   3  -0.255  -6.750 -11.784
   27   1HG1  ILE   3          1HG1      ILE   3   2.571  -6.540 -11.897
   28   2HG1  ILE   3          2HG1      ILE   3   2.465  -6.539 -10.208
   29   1HG2  ILE   3          1HG2      ILE   3  -0.381  -4.439 -11.898
   30   2HG2  ILE   3          2HG2      ILE   3   1.260  -4.053 -11.112
   31   3HG2  ILE   3          3HG2      ILE   3   1.190  -4.888 -12.640
   32   1HD1  ILE   3          1HD1      ILE   3   2.935  -8.617 -10.931
   33   2HD1  ILE   3          2HD1      ILE   3   1.405  -8.812 -10.097
   34   3HD1  ILE   3          3HD1      ILE   3   1.474  -8.894 -11.926
   35    H    CYS   4           H        CYS   4  -1.022  -3.900  -9.070
   36    HA   CYS   4           HA       CYS   4   1.349  -2.956  -7.454
   37   1HB   CYS   4          2HB       CYS   4  -0.435  -1.444  -8.706
   38   2HB   CYS   4          1HB       CYS   4  -1.564  -1.651  -7.140
   39    HG   CYS   4           HG       CYS   4   1.342  -0.668  -7.781
   40    H    GLU   5           H        GLU   5  -1.963  -3.369  -6.396
   41    HA   GLU   5           HA       GLU   5  -1.676  -3.321  -3.595
   42   1HB   GLU   5          2HB       GLU   5  -3.865  -4.445  -3.317
   43   2HB   GLU   5          1HB       GLU   5  -3.979  -3.347  -4.526
   44   1HG   GLU   5          1HG       GLU   5  -3.639  -5.184  -6.481
   45   2HG   GLU   5          2HG       GLU   5  -3.732  -6.377  -5.215
   46    H    GLU   6           H        GLU   6  -1.403  -6.614  -5.289
   47    HA   GLU   6           HA       GLU   6  -1.066  -7.724  -2.743
   48   1HB   GLU   6          1HB       GLU   6  -1.997  -8.932  -4.313
   49   2HB   GLU   6          2HB       GLU   6  -0.449  -9.325  -5.205
   50   1HG   GLU   6          2HG       GLU   6  -1.696 -11.244  -3.954
   51   2HG   GLU   6          1HG       GLU   6  -0.023 -11.261  -3.796
   52    HA   PRO   7           HA       PRO   7   3.916  -7.894  -3.098
   53   1HB   PRO   7          1HB       PRO   7   5.199  -6.923  -5.288
   54   2HB   PRO   7          2HB       PRO   7   4.718  -8.615  -5.237
   55   1HG   PRO   7          1HG       PRO   7   3.468  -6.330  -6.572
   56   2HG   PRO   7          2HG       PRO   7   3.508  -7.988  -7.223
   57   1HD   PRO   7          1HD       PRO   7   0.991  -7.253  -6.125
   58   2HD   PRO   7          2HD       PRO   7   1.773  -8.700  -5.519
   59    H    THR   8           H        THR   8   2.672  -4.932  -4.472
   60    HA   THR   8           HA       THR   8   5.103  -3.207  -3.599
   61    HB   THR   8           HB       THR   8   2.566  -2.199  -5.157
   62    HG1  THR   8           HG1      THR   8   4.763  -2.893  -6.491
   63   1HG2  THR   8          1HG2      THR   8   5.024  -0.727  -5.902
   64   2HG2  THR   8          2HG2      THR   8   3.989  -0.256  -4.386
   65   3HG2  THR   8          3HG2      THR   8   5.329  -1.171  -4.167
   66    H    CYS   9           H        CYS   9   1.933  -3.465  -2.964
   67    HA   CYS   9           HA       CYS   9   1.894  -1.233  -1.122
   68   1HB   CYS   9          1HB       CYS   9  -0.286  -2.974  -2.210
   69   2HB   CYS   9          2HB       CYS   9  -0.594  -1.803  -0.914
   70    HG   CYS   9           HG       CYS   9  -0.097   0.290  -2.217
   71    H    ARG  10           H        ARG  10   1.251  -4.689  -0.318
   72    HA   ARG  10           HA       ARG  10   1.649  -4.693   2.507
   73   1HB   ARG  10          1HB       ARG  10   1.042  -6.537   1.148
   74   2HB   ARG  10          2HB       ARG  10   2.797  -6.601   0.469
   75   1HG   ARG  10          2HG       ARG  10   3.690  -7.301   2.460
   76   2HG   ARG  10          1HG       ARG  10   2.096  -7.304   3.350
   77   1HD   ARG  10          1HD       ARG  10   1.072  -8.992   1.727
   78   2HD   ARG  10          2HD       ARG  10   2.572  -9.073   0.750
   79    HE   ARG  10           HE       ARG  10   2.456  -9.865   3.669
   80   1HH1  ARG  10          1HH2      ARG  10   4.350  -9.921   0.417
   81   2HH1  ARG  10          2HH2      ARG  10   5.690 -10.712   1.125
   82   1HH2  ARG  10          2HH1      ARG  10   3.828 -11.150   4.249
   83   2HH2  ARG  10          1HH1      ARG  10   5.334 -11.480   3.184
   84    H    ASN  11           H        ASN  11   4.587  -4.608  -0.161
   85    HA   ASN  11           HA       ASN  11   6.707  -4.177   1.862
   86   1HB   ASN  11          1HB       ASN  11   6.330  -3.398  -1.090
   87   2HB   ASN  11          2HB       ASN  11   7.386  -2.558  -0.193
   88   1HD2  ASN  11          2HD2      ASN  11   7.161  -5.107  -2.198
   89   2HD2  ASN  11          1HD2      ASN  11   8.573  -5.980  -1.717
   90    H    ARG  12           H        ARG  12   3.962  -2.013   0.922
   91    HA   ARG  12           HA       ARG  12   5.421   0.276   2.106
   92   1HB   ARG  12          2HB       ARG  12   4.106   1.859   1.462
   93   2HB   ARG  12          1HB       ARG  12   4.027   0.492   0.023
   94   1HG   ARG  12          1HG       ARG  12   1.707   0.146   0.605
   95   2HG   ARG  12          2HG       ARG  12   1.688   0.953   2.004
   96   1HD   ARG  12          1HD       ARG  12   0.801   2.219   0.171
   97   2HD   ARG  12          2HD       ARG  12   2.052   3.171   0.634
   98    HE   ARG  12           HE       ARG  12   1.426   1.223  -1.820
   99   1HH1  ARG  12          1HH1      ARG  12   4.061   3.410  -0.485
  100   2HH1  ARG  12          2HH1      ARG  12   4.673   3.275  -2.173
  101   1HH2  ARG  12          1HH2      ARG  12   2.427   1.278  -3.471
  102   2HH2  ARG  12          2HH2      ARG  12   4.003   2.097  -3.750
  103    H    THR  13           H        THR  13   3.254  -2.224   2.924
  104    HA   THR  13           HA       THR  13   2.099  -0.711   5.199
  105    HB   THR  13           HB       THR  13   1.635  -3.848   5.132
  106    HG1  THR  13           HG1      THR  13   1.024  -1.861   3.439
  107   1HG2  THR  13          1HG2      THR  13   0.797  -1.459   6.857
  108   2HG2  THR  13          2HG2      THR  13  -0.513  -2.513   6.309
  109   3HG2  THR  13          3HG2      THR  13   0.993  -3.135   7.194
  110    H    ARG  14           H        ARG  14   4.639  -2.658   4.729
  111    HA   ARG  14           HA       ARG  14   5.667  -2.579   7.664
  112   1HB   ARG  14          1HB       ARG  14   7.163  -3.131   5.141
  113   2HB   ARG  14          2HB       ARG  14   8.207  -2.796   6.696
  114   1HG   ARG  14          2HG       ARG  14   7.859  -4.891   6.939
  115   2HG   ARG  14          1HG       ARG  14   6.189  -4.995   7.406
  116   1HD   ARG  14          1HD       ARG  14   5.529  -5.644   5.411
  117   2HD   ARG  14          2HD       ARG  14   6.925  -5.123   4.403
  118    HE   ARG  14           HE       ARG  14   8.309  -6.897   5.927
  119   1HH1  ARG  14          1HH1      ARG  14   4.957  -7.443   5.502
  120   2HH1  ARG  14          2HH1      ARG  14   5.404  -9.266   5.377
  121   1HH2  ARG  14          1HH2      ARG  14   8.746  -8.743   5.960
  122   2HH2  ARG  14          2HH2      ARG  14   7.365  -9.989   5.667
  123    H    HIS  15           H        HIS  15   5.437  -0.136   5.156
  124    HA   HIS  15           HA       HIS  15   7.533   1.706   5.933
  125   1HB   HIS  15          2HB       HIS  15   5.542   2.287   3.750
  126   2HB   HIS  15          1HB       HIS  15   6.802   3.301   4.511
  127    HD1  HIS  15           HD1      HIS  15   7.382   3.348   1.627
  128    HD2  HIS  15           HD2      HIS  15   8.380  -0.134   3.931
  129    HE1  HIS  15           HE1      HIS  15   8.379   1.695   0.154
  130    HE2  HIS  15           HE2      HIS  15   9.081  -0.566   1.408
  131    H    LEU  16           H        LEU  16   4.809   0.748   7.647
  132    HA   LEU  16           HA       LEU  16   3.475   3.486   8.076
  133   1HB   LEU  16          1HB       LEU  16   1.748   1.664   7.767
  134   2HB   LEU  16          2HB       LEU  16   2.313   0.769   9.035
  135    HG   LEU  16           HG       LEU  16   1.992   3.824   9.624
  136   1HD1  LEU  16          1HD2      LEU  16  -0.123   3.559   8.607
  137   2HD1  LEU  16          2HD2      LEU  16  -0.493   1.814   8.940
  138   3HD1  LEU  16          3HD2      LEU  16  -0.694   3.355  10.210
  139   1HD2  LEU  16          1HD1      LEU  16   1.653   3.321  11.914
  140   2HD2  LEU  16          2HD1      LEU  16   0.862   1.766  11.536
  141   3HD2  LEU  16          3HD1      LEU  16   2.683   1.796  11.541
  142    HA   PRO  17           HA       PRO  17   5.766   2.535  12.116
  143   1HB   PRO  17          1HB       PRO  17   8.481   1.798  11.413
  144   2HB   PRO  17          2HB       PRO  17   7.257   1.109  12.791
  145   1HG   PRO  17          1HG       PRO  17   7.709   0.072   9.897
  146   2HG   PRO  17          2HG       PRO  17   6.914  -0.790  11.195
  147   1HD   PRO  17          1HD       PRO  17   5.559   0.263   9.084
  148   2HD   PRO  17          2HD       PRO  17   4.855   0.224  10.729
  149    H    LEU  18           H        LEU  18   7.182   3.593   9.282
  150    HA   LEU  18           HA       LEU  18   8.905   5.962  10.271
  151   1HB   LEU  18          2HB       LEU  18   9.631   6.566   7.974
  152   2HB   LEU  18          1HB       LEU  18  10.127   5.098   8.666
  153    HG   LEU  18           HG       LEU  18   8.275   4.088   6.965
  154   1HD1  LEU  18          1HD1      LEU  18   8.624   6.960   5.663
  155   2HD1  LEU  18          2HD1      LEU  18   7.917   5.591   4.935
  156   3HD1  LEU  18          3HD1      LEU  18   7.076   6.150   6.422
  157   1HD2  LEU  18          1HD2      LEU  18  10.870   5.560   5.908
  158   2HD2  LEU  18          2HD2      LEU  18   9.918   4.210   5.292
  159   3HD2  LEU  18          3HD2      LEU  18  10.845   4.004   6.853
  160    H    GLN  19           H        GLN  19   6.156   5.536   8.048
  161    HA   GLN  19           HA       GLN  19   4.312   6.798   7.772
  162   1HB   GLN  19          1HB       GLN  19   3.998   6.381  10.225
  163   2HB   GLN  19          2HB       GLN  19   4.412   8.094  10.417
  164   1HG   GLN  19          2HG       GLN  19   2.707   9.050   9.748
  165   2HG   GLN  19          1HG       GLN  19   2.365   8.086   8.403
  166   1HE2  GLN  19          1HE2      GLN  19   2.535   5.862  10.965
  167   2HE2  GLN  19          2HE2      GLN  19   0.636   5.853  11.015
  168    H    PHE  20           H        PHE  20   6.196   7.982   6.304
  169    HA   PHE  20           HA       PHE  20   5.104  10.791   6.332
  170   1HB   PHE  20          2HB       PHE  20   6.990  11.553   4.943
  171   2HB   PHE  20          1HB       PHE  20   7.491  11.125   6.567
  172    HD1  PHE  20           HD1      PHE  20   9.614   9.830   7.017
  173    HD2  PHE  20           HD2      PHE  20   7.594   9.841   3.131
  174    HE1  PHE  20           HE1      PHE  20  11.383   8.580   6.076
  175    HE2  PHE  20           HE2      PHE  20   9.551   8.592   2.179
  176    HZ   PHE  20           HZ       PHE  20  11.250   7.794   3.432
  177    H    SER  21           H        SER  21   5.866   7.936   4.216
  178    HA   SER  21           HA       SER  21   3.846   9.116   2.052
  179   1HB   SER  21          2HB       SER  21   6.262   7.901   1.536
  180   2HB   SER  21          1HB       SER  21   5.087   6.477   1.533
  181    HG   SER  21           HG       SER  21   4.361   7.135  -0.339
  182    H    ARG  22           H        ARG  22   2.689   8.831   4.453
  183    HA   ARG  22           HA       ARG  22   0.840   6.561   4.461
  184   1HB   ARG  22          1HB       ARG  22  -0.443   7.492   5.970
  185   2HB   ARG  22          2HB       ARG  22   1.206   7.786   6.404
  186   1HG   ARG  22          1HG       ARG  22  -0.492  10.108   5.127
  187   2HG   ARG  22          2HG       ARG  22  -0.788   9.677   6.795
  188   1HD   ARG  22          1HD       ARG  22   2.072   9.963   6.994
  189   2HD   ARG  22          2HD       ARG  22   1.831  10.752   5.588
  190    HE   ARG  22           HE       ARG  22   0.399  12.350   6.636
  191   1HH1  ARG  22          1HH2      ARG  22   2.513  10.554   8.868
  192   2HH1  ARG  22          2HH2      ARG  22   2.254  11.698  10.283
  193   1HH2  ARG  22          1HH1      ARG  22  -0.474  13.232   8.400
  194   2HH2  ARG  22          2HH1      ARG  22   0.265  13.257  10.059
  195    H    THR  23           H        THR  23   0.735   9.292   2.624
  196    HA   THR  23           HA       THR  23  -1.899   8.634   1.037
  197    HB   THR  23           HB       THR  23  -1.649  10.689  -0.095
  198    HG1  THR  23           HG1      THR  23   0.123  11.188   1.772
  199   1HG2  THR  23          1HG2      THR  23  -3.173  11.946   1.433
  200   2HG2  THR  23          2HG2      THR  23  -3.483  10.166   1.518
  201   3HG2  THR  23          3HG2      THR  23  -2.527  11.006   2.723
  202    H    GLY  24           H        GLY  24   1.402   9.888   0.060
  203   1HA   GLY  24          1HA       GLY  24   2.837   8.855  -1.511
  204   2HA   GLY  24          2HA       GLY  24   1.881   7.469  -1.853
  205    HA   PRO  25           HA       PRO  25   0.587  10.647  -5.437
  206   1HB   PRO  25          1HB       PRO  25   2.881  11.252  -7.023
  207   2HB   PRO  25          2HB       PRO  25   2.129  12.312  -5.869
  208   1HG   PRO  25          1HG       PRO  25   4.471  10.695  -5.734
  209   2HG   PRO  25          2HG       PRO  25   4.269  12.095  -4.798
  210   1HD   PRO  25          1HD       PRO  25   4.177   9.541  -3.542
  211   2HD   PRO  25          2HD       PRO  25   3.248  10.918  -2.808
  212    H    LEU  26           H        LEU  26   2.094   7.752  -5.573
  213    HA   LEU  26           HA       LEU  26   2.005   7.052  -8.604
  214   1HB   LEU  26          2HB       LEU  26   3.084   5.471  -5.976
  215   2HB   LEU  26          1HB       LEU  26   2.452   4.759  -7.512
  216    HG   LEU  26           HG       LEU  26   4.593   6.577  -8.373
  217   1HD1  LEU  26          1HD2      LEU  26   5.019   6.868  -5.487
  218   2HD1  LEU  26          2HD2      LEU  26   4.797   8.132  -6.649
  219   3HD1  LEU  26          3HD2      LEU  26   6.231   7.224  -6.815
  220   1HD2  LEU  26          1HD1      LEU  26   6.293   4.980  -8.064
  221   2HD2  LEU  26          2HD1      LEU  26   4.805   4.167  -8.542
  222   3HD2  LEU  26          3HD1      LEU  26   5.389   4.114  -6.871
  223    H    CYS  27           H        CYS  27   0.802   5.250  -6.067
  224    HA   CYS  27           HA       CYS  27  -1.880   4.613  -7.623
  225   1HB   CYS  27          1HB       CYS  27  -2.035   2.543  -6.257
  226   2HB   CYS  27          2HB       CYS  27  -0.624   2.696  -7.055
  227    HG   CYS  27           HG       CYS  27   0.870   2.329  -5.089
  228    HA   PRO  28           HA       PRO  28  -4.031   7.475  -4.489
  229   1HB   PRO  28          1HB       PRO  28  -6.252   7.918  -5.737
  230   2HB   PRO  28          2HB       PRO  28  -4.645   8.361  -6.368
  231   1HG   PRO  28          1HG       PRO  28  -6.076   5.647  -7.281
  232   2HG   PRO  28          2HG       PRO  28  -5.529   7.235  -8.122
  233   1HD   PRO  28          1HD       PRO  28  -3.860   4.955  -7.845
  234   2HD   PRO  28          2HD       PRO  28  -3.243   6.596  -8.100
  235    H    ALA  29           H        ALA  29  -3.744   6.118  -2.837
  236    HA   ALA  29           HA       ALA  29  -4.132   4.716  -1.029
  237   1HB   ALA  29          1HB       ALA  29  -7.076   5.067  -1.655
  238   2HB   ALA  29          2HB       ALA  29  -6.301   4.106  -0.489
  239   3HB   ALA  29          3HB       ALA  29  -5.921   6.059  -0.626
  240    H    CYS  30           H        CYS  30  -3.088   2.914  -2.829
  241    HA   CYS  30           HA       CYS  30  -4.898   0.680  -3.334
  242   1HB   CYS  30          1HB       CYS  30  -3.318   1.721  -4.904
  243   2HB   CYS  30          2HB       CYS  30  -2.036   1.187  -3.733
  244    HG   CYS  30           HG       CYS  30  -3.758  -0.013  -6.276
  245    H    MET  31           H        MET  31  -3.503   1.292  -0.296
  246    HA   MET  31           HA       MET  31  -2.115  -1.281   0.340
  247   1HB   MET  31          2HB       MET  31  -1.220   1.076   1.240
  248   2HB   MET  31          1HB       MET  31  -2.780   1.036   2.211
  249   1HG   MET  31          2HG       MET  31  -1.960  -1.425   2.987
  250   2HG   MET  31          1HG       MET  31  -0.394  -0.443   2.980
  251   1HE   MET  31          1HE       MET  31  -4.474   0.437   3.918
  252   2HE   MET  31          2HE       MET  31  -4.043   0.906   5.593
  253   3HE   MET  31          3HE       MET  31  -3.916   1.949   4.332
  254    H    LYS  32           H        LYS  32  -5.208   0.562   0.861
  255    HA   LYS  32           HA       LYS  32  -6.281  -1.445   2.778
  256   1HB   LYS  32          1HB       LYS  32  -8.654  -0.359   2.502
  257   2HB   LYS  32          2HB       LYS  32  -7.334   0.605   3.067
  258   1HG   LYS  32          1HG       LYS  32  -7.381   1.392   0.247
  259   2HG   LYS  32          2HG       LYS  32  -8.890   0.555   0.358
  260   1HD   LYS  32          2HD       LYS  32  -9.752   1.996   2.031
  261   2HD   LYS  32          1HD       LYS  32  -8.108   2.732   2.321
  262   1HE   LYS  32          1HE       LYS  32  -8.303   4.059   0.523
  263   2HE   LYS  32          2HE       LYS  32  -9.381   2.909  -0.514
  264   1HZ   LYS  32          1HZ       LYS  32 -10.373   5.086   0.411
  265   2HZ   LYS  32          2HZ       LYS  32 -11.110   3.673   0.603
  266   3HZ   LYS  32          3HZ       LYS  32 -10.152   4.494   1.903
  267    H    ALA  33           H        ALA  33  -7.125  -1.066  -0.530
  268    HA   ALA  33           HA       ALA  33  -8.386  -3.517  -1.046
  269   1HB   ALA  33          1HB       ALA  33  -8.145  -2.211  -3.093
  270   2HB   ALA  33          2HB       ALA  33  -6.447  -2.699  -3.163
  271   3HB   ALA  33          3HB       ALA  33  -7.912  -3.680  -3.263
  272    H    THR  34           H        THR  34  -4.756  -3.546  -0.996
  273    HA   THR  34           HA       THR  34  -4.294  -6.281  -0.840
  274    HB   THR  34           HB       THR  34  -2.978  -4.231   1.202
  275    HG1  THR  34           HG1      THR  34  -2.160  -4.140  -1.361
  276   1HG2  THR  34          1HG2      THR  34  -1.815  -6.532  -0.308
  277   2HG2  THR  34          2HG2      THR  34  -0.788  -5.106   0.079
  278   3HG2  THR  34          3HG2      THR  34  -1.583  -6.102   1.336
  279    H    LEU  35           H        LEU  35  -5.770  -4.426   1.733
  280    HA   LEU  35           HA       LEU  35  -5.462  -6.063   3.971
  281   1HB   LEU  35          2HB       LEU  35  -6.413  -3.266   3.516
  282   2HB   LEU  35          1HB       LEU  35  -7.746  -4.022   4.349
  283    HG   LEU  35           HG       LEU  35  -5.849  -5.251   5.714
  284   1HD1  LEU  35          1HD1      LEU  35  -4.331  -2.601   5.145
  285   2HD1  LEU  35          2HD1      LEU  35  -3.802  -4.123   4.357
  286   3HD1  LEU  35          3HD1      LEU  35  -3.905  -4.148   6.285
  287   1HD2  LEU  35          1HD2      LEU  35  -7.660  -3.861   6.369
  288   2HD2  LEU  35          2HD2      LEU  35  -6.164  -3.803   7.370
  289   3HD2  LEU  35          3HD2      LEU  35  -6.541  -2.357   6.543
  290    H    GLN  36           H        GLN  36  -8.107  -5.997   1.204
  291    HA   GLN  36           HA       GLN  36  -9.987  -7.556   2.968
  292   1HB   GLN  36          1HB       GLN  36 -10.285  -6.526   0.069
  293   2HB   GLN  36          2HB       GLN  36 -11.222  -7.787   0.687
  294   1HG   GLN  36          1HG       GLN  36 -12.257  -6.400   2.607
  295   2HG   GLN  36          2HG       GLN  36 -11.236  -5.064   2.156
  296   1HE2  GLN  36          2HE2      GLN  36 -13.907  -6.780   1.124
  297   2HE2  GLN  36          1HE2      GLN  36 -14.551  -5.413  -0.227
  298    HA   PRO  37           HA       PRO  37  -8.048 -11.192  -0.090
  299   1HB   PRO  37          1HB       PRO  37  -5.364 -10.145  -0.823
  300   2HB   PRO  37          2HB       PRO  37  -6.473 -11.104  -1.751
  301   1HG   PRO  37          1HG       PRO  37  -5.752  -8.207  -1.485
  302   2HG   PRO  37          2HG       PRO  37  -6.926  -8.580  -2.597
  303   1HD   PRO  37          1HD       PRO  37  -6.895  -7.572   0.141
  304   2HD   PRO  37          2HD       PRO  37  -8.384  -7.461  -0.869
  305    H    GLU  38           H        GLU  38  -5.351  -9.317   2.099
  306    HA   GLU  38           HA       GLU  38  -3.764 -11.549   2.210
  307   1HB   GLU  38          1HB       GLU  38  -2.439 -10.589   3.554
  308   2HB   GLU  38          2HB       GLU  38  -2.903  -9.777   2.349
  309   1HG   GLU  38          1HG       GLU  38  -4.256  -8.246   4.336
  310   2HG   GLU  38          2HG       GLU  38  -3.414  -9.018   5.335
  Start of MODEL   22
    1   1H    TRP   1          1H        TRP   1  -3.695   0.201 -10.108
    2   2H    TRP   1          2H        TRP   1  -4.057  -1.396 -10.718
    3   3H    TRP   1          3H        TRP   1  -5.218  -0.309 -10.680
    4    HA   TRP   1           HA       TRP   1  -3.579  -0.710  -8.211
    5   1HB   TRP   1          1HB       TRP   1  -5.431  -0.727  -6.883
    6   2HB   TRP   1          2HB       TRP   1  -5.005   0.746  -7.603
    7    HD1  TRP   1           HD1      TRP   1  -7.109   1.323  -9.733
    8    HE1  TRP   1           HE1      TRP   1  -9.509   1.496  -9.375
    9    HE3  TRP   1           HE3      TRP   1  -7.058  -2.596  -6.459
   10    HZ2  TRP   1           HZ2      TRP   1 -11.304  -0.124  -7.798
   11    HZ3  TRP   1           HZ3      TRP   1  -9.176  -2.918  -4.974
   12    HH2  TRP   1           HH2      TRP   1 -11.244  -1.540  -5.763
   13    H    LEU   2           H        LEU   2  -4.110  -3.063 -10.395
   14    HA   LEU   2           HA       LEU   2  -5.411  -4.867  -8.256
   15   1HB   LEU   2          1HB       LEU   2  -5.129  -5.221 -11.358
   16   2HB   LEU   2          2HB       LEU   2  -5.418  -6.635 -10.343
   17    HG   LEU   2           HG       LEU   2  -7.646  -5.966  -9.568
   18   1HD1  LEU   2          1HD1      LEU   2  -7.146  -3.494 -10.896
   19   2HD1  LEU   2          2HD1      LEU   2  -8.087  -3.464  -9.467
   20   3HD1  LEU   2          3HD1      LEU   2  -8.668  -3.967 -11.077
   21   1HD2  LEU   2          1HD2      LEU   2  -7.484  -5.813 -12.435
   22   2HD2  LEU   2          2HD2      LEU   2  -8.709  -6.456 -11.539
   23   3HD2  LEU   2          3HD2      LEU   2  -7.415  -7.426 -11.462
   24    H    ILE   3           H        ILE   3  -2.531  -4.573 -10.490
   25    HA   ILE   3           HA       ILE   3  -1.068  -6.987  -9.644
   26    HB   ILE   3           HB       ILE   3  -0.989  -6.857 -12.010
   27   1HG1  ILE   3          1HG1      ILE   3   1.567  -6.591 -12.551
   28   2HG1  ILE   3          2HG1      ILE   3   1.835  -5.994 -10.956
   29   1HG2  ILE   3          1HG2      ILE   3  -1.622  -4.699 -12.747
   30   2HG2  ILE   3          2HG2      ILE   3  -0.001  -4.004 -12.061
   31   3HG2  ILE   3          3HG2      ILE   3  -0.244  -5.095 -13.426
   32   1HD1  ILE   3          1HD1      ILE   3   2.137  -8.320 -11.140
   33   2HD1  ILE   3          2HD1      ILE   3   0.942  -7.986  -9.827
   34   3HD1  ILE   3          3HD1      ILE   3   0.525  -8.840 -11.450
   35    H    CYS   4           H        CYS   4  -1.652  -3.881  -8.948
   36    HA   CYS   4           HA       CYS   4   0.916  -3.073  -7.562
   37   1HB   CYS   4          2HB       CYS   4  -0.698  -1.327  -8.683
   38   2HB   CYS   4          1HB       CYS   4  -1.283  -1.448  -6.890
   39    HG   CYS   4           HG       CYS   4   0.505  -0.711  -5.360
   40    H    GLU   5           H        GLU   5  -2.163  -3.163  -6.421
   41    HA   GLU   5           HA       GLU   5  -2.036  -3.155  -3.683
   42   1HB   GLU   5          2HB       GLU   5  -4.153  -4.340  -3.260
   43   2HB   GLU   5          1HB       GLU   5  -4.369  -3.298  -4.641
   44   1HG   GLU   5          1HG       GLU   5  -4.576  -5.187  -6.025
   45   2HG   GLU   5          2HG       GLU   5  -3.899  -6.346  -5.066
   46    H    GLU   6           H        GLU   6  -1.719  -6.581  -4.838
   47    HA   GLU   6           HA       GLU   6  -0.934  -7.594  -2.214
   48   1HB   GLU   6          1HB       GLU   6  -2.203  -8.749  -3.823
   49   2HB   GLU   6          2HB       GLU   6  -0.884  -9.020  -4.930
   50   1HG   GLU   6          2HG       GLU   6  -0.432 -11.060  -3.989
   51   2HG   GLU   6          1HG       GLU   6   0.393 -10.030  -2.762
   52    HA   PRO   7           HA       PRO   7   3.552  -7.911  -3.439
   53   1HB   PRO   7          1HB       PRO   7   4.962  -7.028  -5.604
   54   2HB   PRO   7          2HB       PRO   7   3.871  -8.584  -5.491
   55   1HG   PRO   7          1HG       PRO   7   2.803  -5.948  -6.611
   56   2HG   PRO   7          2HG       PRO   7   2.849  -7.540  -7.310
   57   1HD   PRO   7          1HD       PRO   7   0.518  -6.683  -5.931
   58   2HD   PRO   7          2HD       PRO   7   1.057  -8.523  -5.699
   59    H    THR   8           H        THR   8   3.963  -4.709  -5.134
   60    HA   THR   8           HA       THR   8   5.652  -3.657  -3.229
   61    HB   THR   8           HB       THR   8   3.949  -2.139  -5.223
   62    HG1  THR   8           HG1      THR   8   5.825  -4.127  -5.298
   63   1HG2  THR   8          1HG2      THR   8   5.778  -0.317  -4.855
   64   2HG2  THR   8          2HG2      THR   8   5.864  -0.988  -3.381
   65   3HG2  THR   8          3HG2      THR   8   6.924  -1.606  -4.624
   66    H    CYS   9           H        CYS   9   2.483  -3.223  -3.061
   67    HA   CYS   9           HA       CYS   9   2.113  -1.214  -0.918
   68   1HB   CYS   9          1HB       CYS   9  -0.050  -2.692  -2.225
   69   2HB   CYS   9          2HB       CYS   9  -0.536  -1.553  -0.969
   70    HG   CYS   9           HG       CYS   9   0.277   0.434  -2.199
   71    H    ARG  10           H        ARG  10   2.432  -4.488  -0.773
   72    HA   ARG  10           HA       ARG  10   1.847  -4.967   2.269
   73   1HB   ARG  10          1HB       ARG  10   1.585  -6.949   0.442
   74   2HB   ARG  10          2HB       ARG  10   3.179  -6.834   0.118
   75   1HG   ARG  10          2HG       ARG  10   3.769  -7.592   2.589
   76   2HG   ARG  10          1HG       ARG  10   2.100  -7.898   2.881
   77   1HD   ARG  10          1HD       ARG  10   1.954  -9.233   0.750
   78   2HD   ARG  10          2HD       ARG  10   3.650  -9.254   0.502
   79    HE   ARG  10           HE       ARG  10   2.192 -10.704   2.906
   80   1HH1  ARG  10          1HH2      ARG  10   5.038 -10.410   0.836
   81   2HH1  ARG  10          2HH2      ARG  10   6.110 -11.371   2.139
   82   1HH2  ARG  10          2HH1      ARG  10   3.064 -12.275   3.663
   83   2HH2  ARG  10          1HH1      ARG  10   4.989 -12.539   3.506
   84    H    ASN  11           H        ASN  11   4.696  -4.834  -0.032
   85    HA   ASN  11           HA       ASN  11   6.460  -4.819   2.471
   86   1HB   ASN  11          1HB       ASN  11   7.446  -3.435  -0.266
   87   2HB   ASN  11          2HB       ASN  11   8.192  -3.932   1.176
   88   1HD2  ASN  11          2HD2      ASN  11   6.478  -5.476  -1.267
   89   2HD2  ASN  11          1HD2      ASN  11   7.725  -6.777  -1.534
   90    H    ARG  12           H        ARG  12   4.424  -2.344   0.913
   91    HA   ARG  12           HA       ARG  12   5.696  -0.036   1.950
   92   1HB   ARG  12          2HB       ARG  12   4.653   1.219   0.590
   93   2HB   ARG  12          1HB       ARG  12   4.061  -0.053  -0.175
   94   1HG   ARG  12          1HG       ARG  12   1.807   0.243   0.781
   95   2HG   ARG  12          2HG       ARG  12   2.331   1.226   2.089
   96   1HD   ARG  12          1HD       ARG  12   1.219   2.519   0.461
   97   2HD   ARG  12          2HD       ARG  12   3.074   3.012   0.942
   98    HE   ARG  12           HE       ARG  12   2.325   1.483  -1.786
   99   1HH1  ARG  12          1HH1      ARG  12   4.318   4.251  -0.442
  100   2HH1  ARG  12          2HH1      ARG  12   4.399   4.644  -2.254
  101   1HH2  ARG  12          1HH2      ARG  12   2.984   2.061  -3.509
  102   2HH2  ARG  12          2HH2      ARG  12   4.133   3.547  -3.691
  103    H    THR  13           H        THR  13   3.118  -2.271   3.348
  104    HA   THR  13           HA       THR  13   2.056  -0.419   5.359
  105    HB   THR  13           HB       THR  13   2.157  -3.432   5.002
  106    HG1  THR  13           HG1      THR  13  -0.365  -2.246   4.906
  107   1HG2  THR  13          1HG2      THR  13  -0.044  -1.761   6.630
  108   2HG2  THR  13          2HG2      THR  13   0.415  -3.586   6.946
  109   3HG2  THR  13          3HG2      THR  13   1.347  -2.168   7.440
  110    H    ARG  14           H        ARG  14   4.744  -2.197   5.033
  111    HA   ARG  14           HA       ARG  14   5.538  -2.054   8.019
  112   1HB   ARG  14          1HB       ARG  14   7.369  -2.675   5.789
  113   2HB   ARG  14          2HB       ARG  14   7.769  -2.820   7.448
  114   1HG   ARG  14          2HG       ARG  14   7.487  -4.790   7.541
  115   2HG   ARG  14          1HG       ARG  14   5.725  -4.770   7.133
  116   1HD   ARG  14          1HD       ARG  14   6.128  -4.940   4.734
  117   2HD   ARG  14          2HD       ARG  14   7.813  -4.670   4.857
  118    HE   ARG  14           HE       ARG  14   8.095  -6.888   6.172
  119   1HH1  ARG  14          1HH1      ARG  14   4.655  -6.456   5.397
  120   2HH1  ARG  14          2HH1      ARG  14   4.671  -8.272   5.638
  121   1HH2  ARG  14          1HH2      ARG  14   7.977  -9.005   5.592
  122   2HH2  ARG  14          2HH2      ARG  14   6.262  -9.516   5.192
  123    H    HIS  15           H        HIS  15   5.318  -0.076   5.659
  124    HA   HIS  15           HA       HIS  15   7.854   1.875   6.258
  125   1HB   HIS  15          2HB       HIS  15   5.803   2.525   4.092
  126   2HB   HIS  15          1HB       HIS  15   6.705   3.556   4.859
  127    HD1  HIS  15           HD1      HIS  15   7.155   3.025   2.014
  128    HD2  HIS  15           HD2      HIS  15   8.170  -0.376   4.382
  129    HE1  HIS  15           HE1      HIS  15   9.293   1.806   0.970
  130    HE2  HIS  15           HE2      HIS  15   9.556  -0.600   2.109
  131    H    LEU  16           H        LEU  16   4.880   1.105   7.973
  132    HA   LEU  16           HA       LEU  16   3.381   3.761   7.991
  133   1HB   LEU  16          1HB       LEU  16   2.341   1.578   7.821
  134   2HB   LEU  16          2HB       LEU  16   2.456   1.052   9.244
  135    HG   LEU  16           HG       LEU  16   1.116   3.880   8.760
  136   1HD1  LEU  16          1HD2      LEU  16   0.302   2.141   7.411
  137   2HD1  LEU  16          2HD2      LEU  16  -0.141   1.133   8.545
  138   3HD1  LEU  16          3HD2      LEU  16  -1.043   2.507   8.594
  139   1HD2  LEU  16          1HD1      LEU  16   0.667   2.102  11.295
  140   2HD2  LEU  16          2HD1      LEU  16   1.902   3.403  10.852
  141   3HD2  LEU  16          3HD1      LEU  16  -0.039   3.661  10.737
  142    HA   PRO  17           HA       PRO  17   5.028   3.538  12.921
  143   1HB   PRO  17          1HB       PRO  17   7.932   2.225  12.432
  144   2HB   PRO  17          2HB       PRO  17   6.522   1.928  13.758
  145   1HG   PRO  17          1HG       PRO  17   6.853  -0.079  11.967
  146   2HG   PRO  17          2HG       PRO  17   5.255   0.236  12.566
  147   1HD   PRO  17          1HD       PRO  17   6.550   1.770  10.006
  148   2HD   PRO  17          2HD       PRO  17   5.066   0.435  10.037
  149    H    LEU  18           H        LEU  18   7.062   3.542   9.874
  150    HA   LEU  18           HA       LEU  18   8.548   6.226  10.775
  151   1HB   LEU  18          2HB       LEU  18   9.094   7.025   8.461
  152   2HB   LEU  18          1HB       LEU  18  10.032   5.885   9.345
  153    HG   LEU  18           HG       LEU  18   9.064   3.990   7.622
  154   1HD1  LEU  18          1HD1      LEU  18   8.373   6.532   5.862
  155   2HD1  LEU  18          2HD1      LEU  18   8.701   4.981   5.226
  156   3HD1  LEU  18          3HD1      LEU  18   7.191   5.285   6.100
  157   1HD2  LEU  18          1HD2      LEU  18  10.753   6.215   6.239
  158   2HD2  LEU  18          2HD2      LEU  18  10.670   4.357   6.039
  159   3HD2  LEU  18          3HD2      LEU  18  11.287   5.084   7.589
  160    H    GLN  19           H        GLN  19   6.096   5.742   8.328
  161    HA   GLN  19           HA       GLN  19   4.021   7.132   7.672
  162   1HB   GLN  19          1HB       GLN  19   3.949   6.992  10.276
  163   2HB   GLN  19          2HB       GLN  19   4.626   8.558  10.269
  164   1HG   GLN  19          2HG       GLN  19   2.374   8.876   8.243
  165   2HG   GLN  19          1HG       GLN  19   1.884   7.590   9.075
  166   1HE2  GLN  19          1HE2      GLN  19   0.182   8.792   9.328
  167   2HE2  GLN  19          2HE2      GLN  19  -0.006   9.618  11.005
  168    H    PHE  20           H        PHE  20   6.029   7.881   6.177
  169    HA   PHE  20           HA       PHE  20   5.233  10.843   5.662
  170   1HB   PHE  20          2HB       PHE  20   7.296  11.129   4.209
  171   2HB   PHE  20          1HB       PHE  20   7.383  10.986   5.965
  172    HD1  PHE  20           HD1      PHE  20   9.078  10.196   6.690
  173    HD2  PHE  20           HD2      PHE  20   7.930   8.824   2.817
  174    HE1  PHE  20           HE1      PHE  20  11.347   9.270   6.378
  175    HE2  PHE  20           HE2      PHE  20  10.094   8.120   2.342
  176    HZ   PHE  20           HZ       PHE  20  11.936   8.312   4.199
  177    H    SER  21           H        SER  21   5.484   7.768   3.842
  178    HA   SER  21           HA       SER  21   3.762   9.189   1.706
  179   1HB   SER  21          2HB       SER  21   5.827   8.146   0.694
  180   2HB   SER  21          1HB       SER  21   5.321   6.393   1.155
  181    HG   SER  21           HG       SER  21   4.170   8.194  -0.720
  182    H    ARG  22           H        ARG  22   2.729   8.619   4.206
  183    HA   ARG  22           HA       ARG  22   1.234   6.160   4.137
  184   1HB   ARG  22          1HB       ARG  22   0.075   6.918   5.878
  185   2HB   ARG  22          2HB       ARG  22   1.526   7.614   6.247
  186   1HG   ARG  22          1HG       ARG  22  -0.727   9.161   4.951
  187   2HG   ARG  22          2HG       ARG  22  -0.402   9.076   6.701
  188   1HD   ARG  22          1HD       ARG  22   1.638  10.159   6.677
  189   2HD   ARG  22          2HD       ARG  22   2.039  10.040   5.008
  190    HE   ARG  22           HE       ARG  22  -0.031  12.013   4.864
  191   1HH1  ARG  22          1HH2      ARG  22   0.968  11.411   8.220
  192   2HH1  ARG  22          2HH2      ARG  22   0.528  13.185   8.412
  193   1HH2  ARG  22          1HH1      ARG  22  -0.429  13.420   5.178
  194   2HH2  ARG  22          2HH1      ARG  22  -0.498  14.118   6.905
  195    H    THR  23           H        THR  23   0.662   8.895   2.427
  196    HA   THR  23           HA       THR  23  -1.899   7.611   1.246
  197    HB   THR  23           HB       THR  23  -2.268  10.014  -0.058
  198    HG1  THR  23           HG1      THR  23  -1.234  11.749   0.684
  199   1HG2  THR  23          1HG2      THR  23  -3.672  10.787   1.468
  200   2HG2  THR  23          2HG2      THR  23  -3.644   8.919   1.498
  201   3HG2  THR  23          3HG2      THR  23  -2.966   9.833   2.881
  202    H    GLY  24           H        GLY  24   1.316   8.127  -0.204
  203   1HA   GLY  24          1HA       GLY  24   2.079   7.432  -2.182
  204   2HA   GLY  24          2HA       GLY  24   0.574   6.685  -2.395
  205    HA   PRO  25           HA       PRO  25   0.408  10.205  -5.451
  206   1HB   PRO  25          1HB       PRO  25   2.793  11.187  -6.495
  207   2HB   PRO  25          2HB       PRO  25   2.168  11.889  -5.151
  208   1HG   PRO  25          1HG       PRO  25   4.405   9.675  -5.268
  209   2HG   PRO  25          2HG       PRO  25   4.410  11.223  -4.187
  210   1HD   PRO  25          1HD       PRO  25   3.654   8.651  -3.093
  211   2HD   PRO  25          2HD       PRO  25   2.612  10.153  -2.642
  212    H    LEU  26           H        LEU  26   2.706   7.492  -5.987
  213    HA   LEU  26           HA       LEU  26   2.438   7.152  -8.786
  214   1HB   LEU  26          2HB       LEU  26   3.815   6.322  -6.465
  215   2HB   LEU  26          1HB       LEU  26   3.049   4.912  -7.052
  216    HG   LEU  26           HG       LEU  26   4.884   6.799  -8.581
  217   1HD1  LEU  26          1HD2      LEU  26   5.508   4.508  -6.599
  218   2HD1  LEU  26          2HD2      LEU  26   5.809   6.318  -6.556
  219   3HD1  LEU  26          3HD2      LEU  26   6.644   5.338  -7.879
  220   1HD2  LEU  26          1HD1      LEU  26   5.244   5.060 -10.264
  221   2HD2  LEU  26          2HD1      LEU  26   3.565   5.008  -9.949
  222   3HD2  LEU  26          3HD1      LEU  26   4.776   3.869  -9.361
  223    H    CYS  27           H        CYS  27   0.897   5.230  -5.741
  224    HA   CYS  27           HA       CYS  27  -1.433   4.813  -7.625
  225   1HB   CYS  27          1HB       CYS  27  -1.739   2.528  -6.670
  226   2HB   CYS  27          2HB       CYS  27  -0.193   2.351  -7.535
  227    HG   CYS  27           HG       CYS  27   1.210   2.537  -5.454
  228    HA   PRO  28           HA       PRO  28  -2.255   6.808  -3.805
  229   1HB   PRO  28          1HB       PRO  28  -4.502   8.609  -4.339
  230   2HB   PRO  28          2HB       PRO  28  -2.656   8.859  -4.965
  231   1HG   PRO  28          1HG       PRO  28  -5.121   7.296  -6.673
  232   2HG   PRO  28          2HG       PRO  28  -3.863   8.665  -7.152
  233   1HD   PRO  28          1HD       PRO  28  -3.317   5.970  -7.768
  234   2HD   PRO  28          2HD       PRO  28  -2.141   7.241  -7.350
  235    H    ALA  29           H        ALA  29  -3.533   6.238  -2.347
  236    HA   ALA  29           HA       ALA  29  -5.128   4.758  -0.659
  237   1HB   ALA  29          1HB       ALA  29  -7.058   5.543  -3.189
  238   2HB   ALA  29          2HB       ALA  29  -7.520   4.901  -1.394
  239   3HB   ALA  29          3HB       ALA  29  -6.838   6.402  -1.516
  240    H    CYS  30           H        CYS  30  -3.659   3.543  -3.107
  241    HA   CYS  30           HA       CYS  30  -4.905   0.949  -3.228
  242   1HB   CYS  30          1HB       CYS  30  -2.958   1.992  -4.604
  243   2HB   CYS  30          2HB       CYS  30  -1.936   1.442  -3.497
  244    HG   CYS  30           HG       CYS  30  -1.987   0.063  -5.827
  245    H    MET  31           H        MET  31  -3.206   1.838  -0.178
  246    HA   MET  31           HA       MET  31  -2.145  -0.884   0.530
  247   1HB   MET  31          2HB       MET  31  -1.217   0.984   1.564
  248   2HB   MET  31          1HB       MET  31  -2.807   1.720   2.032
  249   1HG   MET  31          2HG       MET  31  -3.207  -0.371   3.622
  250   2HG   MET  31          1HG       MET  31  -1.274  -0.596   3.437
  251   1HE   MET  31          1HE       MET  31  -0.587  -0.020   5.582
  252   2HE   MET  31          2HE       MET  31  -1.173   0.673   6.895
  253   3HE   MET  31          3HE       MET  31  -2.173  -0.598   6.188
  254    H    LYS  32           H        LYS  32  -5.280   0.858   1.395
  255    HA   LYS  32           HA       LYS  32  -6.363  -1.214   3.107
  256   1HB   LYS  32          1HB       LYS  32  -8.592  -0.251   2.826
  257   2HB   LYS  32          2HB       LYS  32  -7.429   0.967   3.227
  258   1HG   LYS  32          1HG       LYS  32  -7.417   0.953   0.234
  259   2HG   LYS  32          2HG       LYS  32  -8.912   0.330   0.884
  260   1HD   LYS  32          2HD       LYS  32  -9.166   2.579   2.075
  261   2HD   LYS  32          1HD       LYS  32  -7.752   3.159   1.017
  262   1HE   LYS  32          1HE       LYS  32  -8.713   2.762  -1.007
  263   2HE   LYS  32          2HE       LYS  32 -10.212   2.003  -0.275
  264   1HZ   LYS  32          1HZ       LYS  32 -10.039   4.327   1.300
  265   2HZ   LYS  32          2HZ       LYS  32  -9.822   4.869  -0.251
  266   3HZ   LYS  32          3HZ       LYS  32 -11.153   3.873   0.251
  267    H    ALA  33           H        ALA  33  -7.443  -0.844  -0.468
  268    HA   ALA  33           HA       ALA  33  -8.657  -3.367  -0.659
  269   1HB   ALA  33          1HB       ALA  33  -8.280  -1.508  -2.176
  270   2HB   ALA  33          2HB       ALA  33  -6.701  -2.108  -2.778
  271   3HB   ALA  33          3HB       ALA  33  -8.252  -3.313  -2.776
  272    H    THR  34           H        THR  34  -4.974  -3.163  -0.573
  273    HA   THR  34           HA       THR  34  -4.028  -5.685  -1.311
  274    HB   THR  34           HB       THR  34  -3.560  -4.161   1.262
  275    HG1  THR  34           HG1      THR  34  -3.327  -3.414  -1.381
  276   1HG2  THR  34          1HG2      THR  34  -2.329  -6.125   1.213
  277   2HG2  THR  34          2HG2      THR  34  -1.610  -6.198  -0.357
  278   3HG2  THR  34          3HG2      THR  34  -1.110  -4.800   0.914
  279    H    LEU  35           H        LEU  35  -5.869  -4.651   1.541
  280    HA   LEU  35           HA       LEU  35  -5.301  -6.970   3.319
  281   1HB   LEU  35          2HB       LEU  35  -6.660  -4.253   4.125
  282   2HB   LEU  35          1HB       LEU  35  -6.598  -5.875   5.099
  283    HG   LEU  35           HG       LEU  35  -3.937  -5.201   4.060
  284   1HD1  LEU  35          1HD1      LEU  35  -5.209  -2.969   5.748
  285   2HD1  LEU  35          2HD1      LEU  35  -4.774  -2.926   3.899
  286   3HD1  LEU  35          3HD1      LEU  35  -3.510  -3.113   5.050
  287   1HD2  LEU  35          1HD2      LEU  35  -4.448  -6.621   5.955
  288   2HD2  LEU  35          2HD2      LEU  35  -3.426  -5.292   6.537
  289   3HD2  LEU  35          3HD2      LEU  35  -5.338  -5.362   6.902
  290    H    GLN  36           H        GLN  36  -8.197  -6.135   1.241
  291    HA   GLN  36           HA       GLN  36  -9.785  -8.095   2.572
  292   1HB   GLN  36          1HB       GLN  36  -9.715  -6.928  -0.207
  293   2HB   GLN  36          2HB       GLN  36 -10.905  -7.958   0.091
  294   1HG   GLN  36          1HG       GLN  36 -10.540  -5.799   2.277
  295   2HG   GLN  36          2HG       GLN  36 -10.579  -5.176   0.773
  296   1HE2  GLN  36          2HE2      GLN  36 -12.309  -7.043   2.756
  297   2HE2  GLN  36          1HE2      GLN  36 -13.939  -7.007   2.111
  298    HA   PRO  37           HA       PRO  37  -8.125 -11.577  -0.396
  299   1HB   PRO  37          1HB       PRO  37  -5.821 -10.911  -2.248
  300   2HB   PRO  37          2HB       PRO  37  -7.684 -11.037  -2.542
  301   1HG   PRO  37          1HG       PRO  37  -5.816  -8.688  -2.245
  302   2HG   PRO  37          2HG       PRO  37  -7.369  -8.907  -2.996
  303   1HD   PRO  37          1HD       PRO  37  -7.395  -7.593  -0.504
  304   2HD   PRO  37          2HD       PRO  37  -8.703  -8.356  -1.562
  305    H    GLU  38           H        GLU  38  -5.512  -9.719   1.195
  306    HA   GLU  38           HA       GLU  38  -3.411 -11.858   0.905
  307   1HB   GLU  38          1HB       GLU  38  -1.969 -10.911   2.306
  308   2HB   GLU  38          2HB       GLU  38  -2.505  -9.944   1.046
  309   1HG   GLU  38          1HG       GLU  38  -3.672  -8.124   2.327
  310   2HG   GLU  38          2HG       GLU  38  -3.643  -9.439   3.903
  Start of MODEL   23
    1   1H    TRP   1          1H        TRP   1  -3.651   0.217 -10.273
    2   2H    TRP   1          2H        TRP   1  -3.779  -1.329 -10.612
    3   3H    TRP   1          3H        TRP   1  -5.288  -0.336 -10.602
    4    HA   TRP   1           HA       TRP   1  -3.439  -0.514  -8.426
    5   1HB   TRP   1          1HB       TRP   1  -5.270  -0.403  -6.744
    6   2HB   TRP   1          2HB       TRP   1  -5.307   0.831  -8.085
    7    HD1  TRP   1           HD1      TRP   1  -6.973   1.592  -9.304
    8    HE1  TRP   1           HE1      TRP   1  -9.649   1.363  -9.183
    9    HE3  TRP   1           HE3      TRP   1  -6.989  -2.581  -6.213
   10    HZ2  TRP   1           HZ2      TRP   1 -11.288  -0.110  -7.523
   11    HZ3  TRP   1           HZ3      TRP   1  -9.233  -2.675  -4.947
   12    HH2  TRP   1           HH2      TRP   1 -11.028  -1.523  -5.469
   13    H    LEU   2           H        LEU   2  -4.265  -2.865 -10.341
   14    HA   LEU   2           HA       LEU   2  -5.240  -5.110  -8.354
   15   1HB   LEU   2          1HB       LEU   2  -5.296  -5.272 -11.456
   16   2HB   LEU   2          2HB       LEU   2  -5.323  -6.550 -10.362
   17    HG   LEU   2           HG       LEU   2  -7.240  -5.855  -9.454
   18   1HD1  LEU   2          1HD1      LEU   2  -7.305  -3.214 -10.906
   19   2HD1  LEU   2          2HD1      LEU   2  -7.770  -3.707  -9.290
   20   3HD1  LEU   2          3HD1      LEU   2  -8.870  -4.091 -10.607
   21   1HD2  LEU   2          1HD2      LEU   2  -7.315  -5.860 -12.594
   22   2HD2  LEU   2          2HD2      LEU   2  -8.722  -6.360 -11.513
   23   3HD2  LEU   2          3HD2      LEU   2  -7.025  -7.064 -11.470
   24    H    ILE   3           H        ILE   3  -2.800  -4.616 -10.343
   25    HA   ILE   3           HA       ILE   3  -1.038  -6.929  -9.755
   26    HB   ILE   3           HB       ILE   3  -1.201  -6.699 -12.168
   27   1HG1  ILE   3          1HG1      ILE   3   1.150  -6.674 -12.742
   28   2HG1  ILE   3          2HG1      ILE   3   1.542  -5.927 -11.076
   29   1HG2  ILE   3          1HG2      ILE   3  -1.598  -4.411 -12.460
   30   2HG2  ILE   3          2HG2      ILE   3  -0.173  -3.796 -12.165
   31   3HG2  ILE   3          3HG2      ILE   3  -0.150  -4.913 -13.366
   32   1HD1  ILE   3          1HD1      ILE   3   2.047  -8.346 -10.959
   33   2HD1  ILE   3          2HD1      ILE   3   0.739  -8.068  -9.954
   34   3HD1  ILE   3          3HD1      ILE   3   0.495  -8.772 -11.575
   35    H    CYS   4           H        CYS   4  -1.531  -3.643  -9.132
   36    HA   CYS   4           HA       CYS   4   1.024  -3.375  -7.747
   37   1HB   CYS   4          2HB       CYS   4  -0.516  -1.310  -8.453
   38   2HB   CYS   4          1HB       CYS   4  -1.642  -1.636  -7.230
   39    HG   CYS   4           HG       CYS   4   0.211  -1.192  -5.542
   40    H    GLU   5           H        GLU   5  -2.207  -3.267  -6.296
   41    HA   GLU   5           HA       GLU   5  -2.150  -3.203  -3.653
   42   1HB   GLU   5          2HB       GLU   5  -3.951  -4.629  -3.223
   43   2HB   GLU   5          1HB       GLU   5  -4.194  -3.094  -4.292
   44   1HG   GLU   5          1HG       GLU   5  -4.367  -5.094  -6.127
   45   2HG   GLU   5          2HG       GLU   5  -3.806  -6.064  -4.862
   46    H    GLU   6           H        GLU   6  -1.643  -6.403  -4.888
   47    HA   GLU   6           HA       GLU   6  -0.930  -7.546  -2.403
   48   1HB   GLU   6          1HB       GLU   6  -2.236  -9.232  -3.815
   49   2HB   GLU   6          2HB       GLU   6  -0.936  -9.068  -4.947
   50   1HG   GLU   6          2HG       GLU   6  -0.210 -10.928  -3.957
   51   2HG   GLU   6          1HG       GLU   6   0.385  -9.924  -2.904
   52    HA   PRO   7           HA       PRO   7   3.556  -7.799  -3.362
   53   1HB   PRO   7          1HB       PRO   7   4.760  -7.002  -5.902
   54   2HB   PRO   7          2HB       PRO   7   4.086  -8.516  -5.305
   55   1HG   PRO   7          1HG       PRO   7   2.561  -5.949  -6.481
   56   2HG   PRO   7          2HG       PRO   7   2.613  -7.470  -7.342
   57   1HD   PRO   7          1HD       PRO   7   0.469  -6.790  -5.996
   58   2HD   PRO   7          2HD       PRO   7   0.925  -8.455  -5.741
   59    H    THR   8           H        THR   8   3.997  -5.014  -5.063
   60    HA   THR   8           HA       THR   8   5.512  -3.825  -3.172
   61    HB   THR   8           HB       THR   8   3.926  -2.049  -4.958
   62    HG1  THR   8           HG1      THR   8   5.327  -4.073  -5.291
   63   1HG2  THR   8          1HG2      THR   8   5.441  -0.554  -5.016
   64   2HG2  THR   8          2HG2      THR   8   6.061  -1.233  -3.319
   65   3HG2  THR   8          3HG2      THR   8   6.851  -1.645  -4.860
   66    H    CYS   9           H        CYS   9   2.298  -3.328  -2.809
   67    HA   CYS   9           HA       CYS   9   2.178  -1.282  -0.785
   68   1HB   CYS   9          1HB       CYS   9  -0.093  -2.776  -2.196
   69   2HB   CYS   9          2HB       CYS   9  -0.426  -1.567  -0.812
   70    HG   CYS   9           HG       CYS   9   0.007   0.376  -2.327
   71    H    ARG  10           H        ARG  10   2.329  -4.405  -0.738
   72    HA   ARG  10           HA       ARG  10   1.741  -4.923   2.222
   73   1HB   ARG  10          1HB       ARG  10   1.337  -6.940   0.707
   74   2HB   ARG  10          2HB       ARG  10   3.161  -6.805   0.233
   75   1HG   ARG  10          2HG       ARG  10   3.670  -7.568   2.663
   76   2HG   ARG  10          1HG       ARG  10   2.012  -7.852   2.882
   77   1HD   ARG  10          1HD       ARG  10   2.011  -9.395   0.767
   78   2HD   ARG  10          2HD       ARG  10   3.815  -9.085   0.484
   79    HE   ARG  10           HE       ARG  10   2.145 -10.376   2.839
   80   1HH1  ARG  10          1HH2      ARG  10   5.503 -10.143   1.137
   81   2HH1  ARG  10          2HH2      ARG  10   6.037 -11.529   2.126
   82   1HH2  ARG  10          2HH1      ARG  10   3.035 -12.121   3.809
   83   2HH2  ARG  10          1HH1      ARG  10   4.808 -12.742   3.456
   84    H    ASN  11           H        ASN  11   4.886  -4.941   0.051
   85    HA   ASN  11           HA       ASN  11   6.780  -4.755   2.473
   86   1HB   ASN  11          1HB       ASN  11   7.215  -3.436  -0.389
   87   2HB   ASN  11          2HB       ASN  11   8.273  -3.776   1.006
   88   1HD2  ASN  11          2HD2      ASN  11   6.624  -5.299  -1.538
   89   2HD2  ASN  11          1HD2      ASN  11   7.568  -6.759  -1.625
   90    H    ARG  12           H        ARG  12   4.497  -2.243   0.672
   91    HA   ARG  12           HA       ARG  12   5.626  -0.042   2.121
   92   1HB   ARG  12          2HB       ARG  12   4.672   1.337   0.994
   93   2HB   ARG  12          1HB       ARG  12   4.103  -0.103  -0.107
   94   1HG   ARG  12          1HG       ARG  12   1.687   0.274   0.521
   95   2HG   ARG  12          2HG       ARG  12   2.308   1.076   2.008
   96   1HD   ARG  12          1HD       ARG  12   1.352   2.672   0.745
   97   2HD   ARG  12          2HD       ARG  12   2.935   3.300   0.735
   98    HE   ARG  12           HE       ARG  12   2.001   1.662  -1.617
   99   1HH1  ARG  12          1HH1      ARG  12   4.278   4.267  -0.410
  100   2HH1  ARG  12          2HH1      ARG  12   4.603   4.823  -2.004
  101   1HH2  ARG  12          1HH2      ARG  12   2.963   2.077  -3.648
  102   2HH2  ARG  12          2HH2      ARG  12   4.095   3.488  -3.625
  103    H    THR  13           H        THR  13   3.100  -2.140   3.061
  104    HA   THR  13           HA       THR  13   2.249  -0.232   5.250
  105    HB   THR  13           HB       THR  13   1.929  -3.467   5.081
  106    HG1  THR  13           HG1      THR  13  -0.364  -2.563   4.660
  107   1HG2  THR  13          1HG2      THR  13  -0.002  -1.839   6.752
  108   2HG2  THR  13          2HG2      THR  13   0.324  -3.533   6.629
  109   3HG2  THR  13          3HG2      THR  13   1.482  -2.331   7.426
  110    H    ARG  14           H        ARG  14   4.780  -2.238   5.067
  111    HA   ARG  14           HA       ARG  14   5.444  -2.273   8.006
  112   1HB   ARG  14          1HB       ARG  14   7.540  -2.685   5.808
  113   2HB   ARG  14          2HB       ARG  14   7.666  -2.693   7.499
  114   1HG   ARG  14          2HG       ARG  14   7.513  -4.999   7.567
  115   2HG   ARG  14          1HG       ARG  14   5.819  -4.625   7.290
  116   1HD   ARG  14          1HD       ARG  14   6.128  -5.046   4.740
  117   2HD   ARG  14          2HD       ARG  14   7.841  -4.657   4.818
  118    HE   ARG  14           HE       ARG  14   8.120  -6.784   6.174
  119   1HH1  ARG  14          1HH1      ARG  14   4.586  -6.426   5.619
  120   2HH1  ARG  14          2HH1      ARG  14   4.597  -8.264   5.626
  121   1HH2  ARG  14          1HH2      ARG  14   7.880  -8.866   5.586
  122   2HH2  ARG  14          2HH2      ARG  14   6.035  -9.434   5.365
  123    H    HIS  15           H        HIS  15   5.473  -0.006   5.422
  124    HA   HIS  15           HA       HIS  15   7.664   1.620   6.556
  125   1HB   HIS  15          2HB       HIS  15   5.592   2.449   4.545
  126   2HB   HIS  15          1HB       HIS  15   7.385   3.243   4.916
  127    HD1  HIS  15           HD1      HIS  15   7.169   2.902   1.939
  128    HD2  HIS  15           HD2      HIS  15   8.215  -0.281   4.401
  129    HE1  HIS  15           HE1      HIS  15   9.244   1.800   1.028
  130    HE2  HIS  15           HE2      HIS  15   9.388  -0.795   2.267
  131    H    LEU  16           H        LEU  16   4.758   1.011   7.500
  132    HA   LEU  16           HA       LEU  16   3.678   3.703   8.046
  133   1HB   LEU  16          1HB       LEU  16   2.270   1.650   7.864
  134   2HB   LEU  16          2HB       LEU  16   2.630   1.257   9.626
  135    HG   LEU  16           HG       LEU  16   1.049   3.853   8.669
  136   1HD1  LEU  16          1HD2      LEU  16   0.044   2.310   7.316
  137   2HD1  LEU  16          2HD2      LEU  16  -0.033   1.006   8.755
  138   3HD1  LEU  16          3HD2      LEU  16  -1.016   2.676   8.624
  139   1HD2  LEU  16          1HD1      LEU  16   0.900   2.004  11.103
  140   2HD2  LEU  16          2HD1      LEU  16   1.350   3.822  11.213
  141   3HD2  LEU  16          3HD1      LEU  16  -0.177   3.382  10.750
  142    HA   PRO  17           HA       PRO  17   4.942   3.657  12.738
  143   1HB   PRO  17          1HB       PRO  17   7.808   2.295  12.527
  144   2HB   PRO  17          2HB       PRO  17   6.335   2.079  13.858
  145   1HG   PRO  17          1HG       PRO  17   6.867  -0.078  12.035
  146   2HG   PRO  17          2HG       PRO  17   5.042   0.536  12.411
  147   1HD   PRO  17          1HD       PRO  17   6.760   1.430  10.068
  148   2HD   PRO  17          2HD       PRO  17   5.071   0.577   9.900
  149    H    LEU  18           H        LEU  18   7.333   3.567   9.626
  150    HA   LEU  18           HA       LEU  18   8.423   6.087  10.736
  151   1HB   LEU  18          2HB       LEU  18   9.312   6.870   8.503
  152   2HB   LEU  18          1HB       LEU  18   9.991   5.382   9.285
  153    HG   LEU  18           HG       LEU  18   9.003   3.928   7.637
  154   1HD1  LEU  18          1HD1      LEU  18   8.433   6.504   5.886
  155   2HD1  LEU  18          2HD1      LEU  18   8.497   4.698   5.267
  156   3HD1  LEU  18          3HD1      LEU  18   7.165   5.367   6.398
  157   1HD2  LEU  18          1HD2      LEU  18  10.615   6.368   6.762
  158   2HD2  LEU  18          2HD2      LEU  18  10.682   4.724   5.887
  159   3HD2  LEU  18          3HD2      LEU  18  11.319   5.043   7.556
  160    H    GLN  19           H        GLN  19   5.950   5.779   8.208
  161    HA   GLN  19           HA       GLN  19   4.282   6.944   7.670
  162   1HB   GLN  19          1HB       GLN  19   3.610   7.047  10.333
  163   2HB   GLN  19          2HB       GLN  19   4.398   8.715  10.205
  164   1HG   GLN  19          2HG       GLN  19   2.569   9.150   8.377
  165   2HG   GLN  19          1HG       GLN  19   1.886   7.577   9.184
  166   1HE2  GLN  19          1HE2      GLN  19   0.274   9.254   9.136
  167   2HE2  GLN  19          2HE2      GLN  19  -0.104   9.908  10.946
  168    H    PHE  20           H        PHE  20   6.244   7.946   6.077
  169    HA   PHE  20           HA       PHE  20   5.073  10.545   5.791
  170   1HB   PHE  20          2HB       PHE  20   7.146  11.107   4.185
  171   2HB   PHE  20          1HB       PHE  20   7.309  11.168   5.882
  172    HD1  PHE  20           HD1      PHE  20   9.230   9.956   6.866
  173    HD2  PHE  20           HD2      PHE  20   7.812   8.721   2.786
  174    HE1  PHE  20           HE1      PHE  20  11.346   9.116   6.406
  175    HE2  PHE  20           HE2      PHE  20  10.340   7.873   2.475
  176    HZ   PHE  20           HZ       PHE  20  11.972   8.435   4.136
  177    H    SER  21           H        SER  21   5.440   7.619   3.690
  178    HA   SER  21           HA       SER  21   3.796   9.085   1.500
  179   1HB   SER  21          2HB       SER  21   5.897   8.055   0.327
  180   2HB   SER  21          1HB       SER  21   5.477   6.497   1.119
  181    HG   SER  21           HG       SER  21   4.731   7.912  -1.043
  182    H    ARG  22           H        ARG  22   2.671   8.657   3.862
  183    HA   ARG  22           HA       ARG  22   1.523   6.206   4.248
  184   1HB   ARG  22          1HB       ARG  22  -0.179   7.150   5.727
  185   2HB   ARG  22          2HB       ARG  22   1.555   7.449   6.105
  186   1HG   ARG  22          1HG       ARG  22  -0.583   9.417   4.866
  187   2HG   ARG  22          2HG       ARG  22  -0.433   9.130   6.653
  188   1HD   ARG  22          1HD       ARG  22   1.699  10.134   6.595
  189   2HD   ARG  22          2HD       ARG  22   1.874  10.150   4.922
  190    HE   ARG  22           HE       ARG  22   0.015  11.682   4.694
  191   1HH1  ARG  22          1HH2      ARG  22   0.924  11.277   8.107
  192   2HH1  ARG  22          2HH2      ARG  22   0.457  13.122   8.444
  193   1HH2  ARG  22          1HH1      ARG  22  -0.273  13.552   4.961
  194   2HH2  ARG  22          2HH1      ARG  22  -0.621  14.235   6.567
  195    H    THR  23           H        THR  23   0.732   8.729   2.323
  196    HA   THR  23           HA       THR  23  -1.951   7.781   1.276
  197    HB   THR  23           HB       THR  23  -1.919   9.944  -0.274
  198    HG1  THR  23           HG1      THR  23  -1.250  11.625   0.440
  199   1HG2  THR  23          1HG2      THR  23  -3.849  10.613   1.439
  200   2HG2  THR  23          2HG2      THR  23  -3.819   8.910   1.550
  201   3HG2  THR  23          3HG2      THR  23  -2.790   9.849   2.713
  202    H    GLY  24           H        GLY  24   1.159   8.417  -0.149
  203   1HA   GLY  24          1HA       GLY  24   2.098   7.602  -2.040
  204   2HA   GLY  24          2HA       GLY  24   0.592   6.568  -2.413
  205    HA   PRO  25           HA       PRO  25   0.583  10.362  -5.427
  206   1HB   PRO  25          1HB       PRO  25   2.799  11.234  -6.428
  207   2HB   PRO  25          2HB       PRO  25   1.892  11.712  -4.817
  208   1HG   PRO  25          1HG       PRO  25   4.113   9.521  -5.245
  209   2HG   PRO  25          2HG       PRO  25   4.355  11.121  -4.379
  210   1HD   PRO  25          1HD       PRO  25   3.418   8.521  -3.350
  211   2HD   PRO  25          2HD       PRO  25   2.902  10.076  -2.521
  212    H    LEU  26           H        LEU  26   2.966   7.901  -6.069
  213    HA   LEU  26           HA       LEU  26   2.326   7.249  -8.753
  214   1HB   LEU  26          2HB       LEU  26   3.716   5.990  -6.142
  215   2HB   LEU  26          1HB       LEU  26   3.353   4.862  -7.311
  216    HG   LEU  26           HG       LEU  26   4.974   6.787  -8.735
  217   1HD1  LEU  26          1HD2      LEU  26   5.510   4.350  -6.813
  218   2HD1  LEU  26          2HD2      LEU  26   5.908   6.142  -6.411
  219   3HD1  LEU  26          3HD2      LEU  26   6.867   5.229  -7.590
  220   1HD2  LEU  26          1HD1      LEU  26   5.172   5.216 -10.317
  221   2HD2  LEU  26          2HD1      LEU  26   3.485   5.119  -9.916
  222   3HD2  LEU  26          3HD1      LEU  26   4.433   3.846  -9.246
  223    H    CYS  27           H        CYS  27   0.854   5.183  -5.690
  224    HA   CYS  27           HA       CYS  27  -1.290   4.401  -7.607
  225   1HB   CYS  27          1HB       CYS  27  -1.845   2.427  -6.733
  226   2HB   CYS  27          2HB       CYS  27  -0.110   2.569  -7.522
  227    HG   CYS  27           HG       CYS  27   1.409   2.762  -5.018
  228    HA   PRO  28           HA       PRO  28  -2.450   6.838  -3.595
  229   1HB   PRO  28          1HB       PRO  28  -4.293   8.671  -4.184
  230   2HB   PRO  28          2HB       PRO  28  -2.512   8.728  -5.147
  231   1HG   PRO  28          1HG       PRO  28  -5.058   7.459  -6.364
  232   2HG   PRO  28          2HG       PRO  28  -4.162   8.696  -7.107
  233   1HD   PRO  28          1HD       PRO  28  -3.556   5.988  -7.584
  234   2HD   PRO  28          2HD       PRO  28  -2.228   7.246  -7.611
  235    H    ALA  29           H        ALA  29  -3.494   5.930  -2.160
  236    HA   ALA  29           HA       ALA  29  -5.128   5.239  -0.745
  237   1HB   ALA  29          1HB       ALA  29  -7.360   5.469  -3.133
  238   2HB   ALA  29          2HB       ALA  29  -7.566   4.587  -1.649
  239   3HB   ALA  29          3HB       ALA  29  -7.238   6.347  -1.673
  240    H    CYS  30           H        CYS  30  -3.373   3.449  -2.890
  241    HA   CYS  30           HA       CYS  30  -4.890   0.816  -3.106
  242   1HB   CYS  30          1HB       CYS  30  -3.052   1.861  -4.884
  243   2HB   CYS  30          2HB       CYS  30  -1.873   1.292  -3.546
  244    HG   CYS  30           HG       CYS  30  -1.649  -0.059  -5.625
  245    H    MET  31           H        MET  31  -3.205   1.733  -0.120
  246    HA   MET  31           HA       MET  31  -2.172  -0.936   0.441
  247   1HB   MET  31          2HB       MET  31  -1.209   1.205   1.792
  248   2HB   MET  31          1HB       MET  31  -2.714   1.703   2.062
  249   1HG   MET  31          2HG       MET  31  -2.981  -0.629   3.546
  250   2HG   MET  31          1HG       MET  31  -1.285  -0.436   3.548
  251   1HE   MET  31          1HE       MET  31  -0.458   0.224   5.556
  252   2HE   MET  31          2HE       MET  31  -1.463   0.836   6.893
  253   3HE   MET  31          3HE       MET  31  -1.724  -0.786   6.122
  254    H    LYS  32           H        LYS  32  -5.423   0.898   1.409
  255    HA   LYS  32           HA       LYS  32  -6.584  -1.194   3.126
  256   1HB   LYS  32          1HB       LYS  32  -8.681  -0.162   2.644
  257   2HB   LYS  32          2HB       LYS  32  -7.529   0.995   3.201
  258   1HG   LYS  32          1HG       LYS  32  -7.023   1.068   0.430
  259   2HG   LYS  32          2HG       LYS  32  -8.668   0.447   0.346
  260   1HD   LYS  32          2HD       LYS  32  -9.261   2.489   2.046
  261   2HD   LYS  32          1HD       LYS  32  -7.823   3.175   1.344
  262   1HE   LYS  32          1HE       LYS  32  -8.839   3.051  -0.949
  263   2HE   LYS  32          2HE       LYS  32 -10.240   2.047  -0.402
  264   1HZ   LYS  32          1HZ       LYS  32 -10.080   3.988   1.222
  265   2HZ   LYS  32          2HZ       LYS  32  -9.671   4.956  -0.020
  266   3HZ   LYS  32          3HZ       LYS  32 -11.151   4.229  -0.143
  267    H    ALA  33           H        ALA  33  -6.841  -0.920  -0.178
  268    HA   ALA  33           HA       ALA  33  -8.461  -3.497  -0.338
  269   1HB   ALA  33          1HB       ALA  33  -8.576  -1.581  -2.294
  270   2HB   ALA  33          2HB       ALA  33  -6.759  -2.368  -2.790
  271   3HB   ALA  33          3HB       ALA  33  -8.293  -3.114  -3.102
  272    H    THR  34           H        THR  34  -4.994  -3.263  -1.117
  273    HA   THR  34           HA       THR  34  -4.192  -5.777  -1.205
  274    HB   THR  34           HB       THR  34  -3.278  -4.023   1.308
  275    HG1  THR  34           HG1      THR  34  -2.677  -3.456  -1.470
  276   1HG2  THR  34          1HG2      THR  34  -2.129  -5.824   1.465
  277   2HG2  THR  34          2HG2      THR  34  -1.689  -6.113  -0.414
  278   3HG2  THR  34          3HG2      THR  34  -1.017  -4.750   0.615
  279    H    LEU  35           H        LEU  35  -5.410  -4.672   1.786
  280    HA   LEU  35           HA       LEU  35  -5.228  -6.861   3.389
  281   1HB   LEU  35          2HB       LEU  35  -6.702  -4.383   3.912
  282   2HB   LEU  35          1HB       LEU  35  -6.886  -5.584   5.042
  283    HG   LEU  35           HG       LEU  35  -3.827  -5.455   4.280
  284   1HD1  LEU  35          1HD1      LEU  35  -5.173  -3.024   5.665
  285   2HD1  LEU  35          2HD1      LEU  35  -4.928  -2.958   4.032
  286   3HD1  LEU  35          3HD1      LEU  35  -3.496  -2.954   5.110
  287   1HD2  LEU  35          1HD2      LEU  35  -4.603  -6.696   6.106
  288   2HD2  LEU  35          2HD2      LEU  35  -3.476  -5.499   6.708
  289   3HD2  LEU  35          3HD2      LEU  35  -5.075  -5.389   6.978
  290    H    GLN  36           H        GLN  36  -8.060  -6.139   1.496
  291    HA   GLN  36           HA       GLN  36  -9.792  -8.275   2.529
  292   1HB   GLN  36          1HB       GLN  36  -9.619  -6.997  -0.264
  293   2HB   GLN  36          2HB       GLN  36 -10.934  -8.117   0.345
  294   1HG   GLN  36          1HG       GLN  36 -10.433  -5.823   2.152
  295   2HG   GLN  36          2HG       GLN  36 -10.530  -5.417   0.529
  296   1HE2  GLN  36          2HE2      GLN  36 -12.229  -7.111   2.788
  297   2HE2  GLN  36          1HE2      GLN  36 -13.892  -6.943   2.172
  298    HA   PRO  37           HA       PRO  37  -8.024 -11.486  -0.494
  299   1HB   PRO  37          1HB       PRO  37  -5.945 -11.082  -2.174
  300   2HB   PRO  37          2HB       PRO  37  -7.546 -10.835  -2.935
  301   1HG   PRO  37          1HG       PRO  37  -5.914  -8.555  -2.128
  302   2HG   PRO  37          2HG       PRO  37  -7.362  -8.580  -3.065
  303   1HD   PRO  37          1HD       PRO  37  -7.296  -7.561  -0.567
  304   2HD   PRO  37          2HD       PRO  37  -8.737  -8.381  -1.277
  305    H    GLU  38           H        GLU  38  -5.532  -9.675   1.156
  306    HA   GLU  38           HA       GLU  38  -3.488 -11.812   0.765
  307   1HB   GLU  38          1HB       GLU  38  -1.892 -10.577   2.323
  308   2HB   GLU  38          2HB       GLU  38  -2.535  -9.431   1.106
  309   1HG   GLU  38          1HG       GLU  38  -3.751  -8.248   2.585
  310   2HG   GLU  38          2HG       GLU  38  -3.793  -9.178   3.655
  Start of MODEL   24
    1   1H    TRP   1          1H        TRP   1  -4.183   0.987  -9.793
    2   2H    TRP   1          2H        TRP   1  -4.578  -0.476 -10.758
    3   3H    TRP   1          3H        TRP   1  -5.603   0.113  -9.662
    4    HA   TRP   1           HA       TRP   1  -2.992  -0.450  -8.616
    5   1HB   TRP   1          1HB       TRP   1  -4.431  -0.439  -6.342
    6   2HB   TRP   1          2HB       TRP   1  -4.483   1.181  -7.350
    7    HD1  TRP   1           HD1      TRP   1  -6.616   1.714  -8.366
    8    HE1  TRP   1           HE1      TRP   1  -9.077   0.781  -8.452
    9    HE3  TRP   1           HE3      TRP   1  -5.958  -2.133  -5.301
   10    HZ2  TRP   1           HZ2      TRP   1 -10.461  -1.273  -7.108
   11    HZ3  TRP   1           HZ3      TRP   1  -7.875  -3.807  -5.077
   12    HH2  TRP   1           HH2      TRP   1  -9.839  -3.456  -5.851
   13    H    LEU   2           H        LEU   2  -5.010  -2.264 -10.535
   14    HA   LEU   2           HA       LEU   2  -5.985  -4.366  -8.705
   15   1HB   LEU   2          1HB       LEU   2  -6.295  -3.429 -11.553
   16   2HB   LEU   2          2HB       LEU   2  -5.888  -5.180 -11.482
   17    HG   LEU   2           HG       LEU   2  -8.068  -5.546  -9.821
   18   1HD1  LEU   2          1HD1      LEU   2  -8.751  -2.483 -10.405
   19   2HD1  LEU   2          2HD1      LEU   2  -7.665  -2.879  -9.063
   20   3HD1  LEU   2          3HD1      LEU   2  -9.402  -3.555  -9.280
   21   1HD2  LEU   2          1HD2      LEU   2  -8.323  -3.905 -12.447
   22   2HD2  LEU   2          2HD2      LEU   2  -9.722  -4.861 -11.571
   23   3HD2  LEU   2          3HD2      LEU   2  -8.310  -5.786 -12.371
   24    H    ILE   3           H        ILE   3  -3.371  -4.426 -11.253
   25    HA   ILE   3           HA       ILE   3  -1.840  -6.673  -9.978
   26    HB   ILE   3           HB       ILE   3  -1.760  -5.460 -12.612
   27   1HG1  ILE   3          1HG1      ILE   3   0.818  -6.383 -12.426
   28   2HG1  ILE   3          2HG1      ILE   3   0.126  -6.889 -10.715
   29   1HG2  ILE   3          1HG2      ILE   3  -0.867  -3.225 -11.430
   30   2HG2  ILE   3          2HG2      ILE   3   0.726  -3.918 -11.275
   31   3HG2  ILE   3          3HG2      ILE   3  -0.079  -3.768 -12.762
   32   1HD1  ILE   3          1HD1      ILE   3   0.054  -8.679 -12.322
   33   2HD1  ILE   3          2HD1      ILE   3  -1.861  -8.307 -12.065
   34   3HD1  ILE   3          3HD1      ILE   3  -0.826  -7.781 -13.462
   35    H    CYS   4           H        CYS   4  -2.011  -3.569  -9.131
   36    HA   CYS   4           HA       CYS   4   0.744  -3.384  -8.069
   37   1HB   CYS   4          2HB       CYS   4  -0.876  -1.105  -8.448
   38   2HB   CYS   4          1HB       CYS   4  -1.579  -1.587  -6.994
   39    HG   CYS   4           HG       CYS   4   1.520  -0.908  -7.875
   40    H    GLU   5           H        GLU   5  -2.401  -3.132  -6.412
   41    HA   GLU   5           HA       GLU   5  -1.823  -2.963  -3.963
   42   1HB   GLU   5          2HB       GLU   5  -3.831  -4.168  -2.875
   43   2HB   GLU   5          1HB       GLU   5  -4.283  -2.956  -4.006
   44   1HG   GLU   5          1HG       GLU   5  -5.082  -4.893  -5.654
   45   2HG   GLU   5          2HG       GLU   5  -3.778  -6.002  -4.894
   46    H    GLU   6           H        GLU   6  -2.067  -6.459  -4.933
   47    HA   GLU   6           HA       GLU   6  -1.074  -7.355  -2.397
   48   1HB   GLU   6          1HB       GLU   6  -2.533  -8.874  -3.783
   49   2HB   GLU   6          2HB       GLU   6  -1.412  -8.987  -4.956
   50   1HG   GLU   6          2HG       GLU   6  -1.581 -11.012  -4.011
   51   2HG   GLU   6          1HG       GLU   6   0.078 -10.637  -3.755
   52    HA   PRO   7           HA       PRO   7   3.340  -8.224  -3.504
   53   1HB   PRO   7          1HB       PRO   7   4.799  -7.005  -5.757
   54   2HB   PRO   7          2HB       PRO   7   3.988  -8.531  -5.742
   55   1HG   PRO   7          1HG       PRO   7   2.838  -5.965  -6.625
   56   2HG   PRO   7          2HG       PRO   7   2.729  -7.369  -7.620
   57   1HD   PRO   7          1HD       PRO   7   0.835  -6.469  -5.981
   58   2HD   PRO   7          2HD       PRO   7   0.877  -8.266  -6.267
   59    H    THR   8           H        THR   8   3.282  -4.957  -4.844
   60    HA   THR   8           HA       THR   8   5.415  -3.852  -3.289
   61    HB   THR   8           HB       THR   8   3.332  -2.043  -4.605
   62    HG1  THR   8           HG1      THR   8   3.836  -2.854  -6.414
   63   1HG2  THR   8          1HG2      THR   8   6.412  -1.967  -4.416
   64   2HG2  THR   8          2HG2      THR   8   5.600  -0.467  -4.768
   65   3HG2  THR   8          3HG2      THR   8   5.494  -1.130  -3.221
   66    H    CYS   9           H        CYS   9   2.268  -2.904  -2.944
   67    HA   CYS   9           HA       CYS   9   2.125  -1.216  -0.596
   68   1HB   CYS   9          1HB       CYS   9  -0.159  -2.749  -1.915
   69   2HB   CYS   9          2HB       CYS   9  -0.504  -1.629  -0.810
   70    HG   CYS   9           HG       CYS   9   0.089  -1.224  -3.666
   71    H    ARG  10           H        ARG  10   1.865  -4.763  -0.341
   72    HA   ARG  10           HA       ARG  10   1.703  -4.935   2.551
   73   1HB   ARG  10          1HB       ARG  10   1.106  -6.648   0.768
   74   2HB   ARG  10          2HB       ARG  10   2.908  -6.789   0.537
   75   1HG   ARG  10          2HG       ARG  10   2.546  -7.157   3.376
   76   2HG   ARG  10          1HG       ARG  10   1.185  -8.011   2.470
   77   1HD   ARG  10          1HD       ARG  10   3.056  -9.093   0.778
   78   2HD   ARG  10          2HD       ARG  10   4.255  -8.382   1.907
   79    HE   ARG  10           HE       ARG  10   2.116 -10.331   3.238
   80   1HH1  ARG  10          1HH2      ARG  10   5.557 -10.065   1.882
   81   2HH1  ARG  10          2HH2      ARG  10   5.695 -11.833   2.273
   82   1HH2  ARG  10          2HH1      ARG  10   2.395 -12.216   3.210
   83   2HH2  ARG  10          1HH1      ARG  10   4.016 -13.045   3.132
   84    H    ASN  11           H        ASN  11   4.758  -5.096   0.490
   85    HA   ASN  11           HA       ASN  11   6.550  -4.485   2.883
   86   1HB   ASN  11          1HB       ASN  11   7.122  -4.122  -0.025
   87   2HB   ASN  11          2HB       ASN  11   8.343  -3.983   1.103
   88   1HD2  ASN  11          2HD2      ASN  11   6.860  -6.030  -1.026
   89   2HD2  ASN  11          1HD2      ASN  11   7.345  -7.609  -0.303
   90    H    ARG  12           H        ARG  12   4.421  -2.116   1.234
   91    HA   ARG  12           HA       ARG  12   6.030   0.292   2.271
   92   1HB   ARG  12          2HB       ARG  12   4.866   1.816   0.972
   93   2HB   ARG  12          1HB       ARG  12   4.522   0.348   0.030
   94   1HG   ARG  12          1HG       ARG  12   2.330   0.208   0.976
   95   2HG   ARG  12          2HG       ARG  12   2.626   1.227   2.222
   96   1HD   ARG  12          1HD       ARG  12   1.326   2.385   0.628
   97   2HD   ARG  12          2HD       ARG  12   2.592   3.293   0.952
   98    HE   ARG  12           HE       ARG  12   2.154   1.563  -1.566
   99   1HH1  ARG  12          1HH1      ARG  12   3.954   4.243  -0.161
  100   2HH1  ARG  12          2HH1      ARG  12   4.025   5.197  -1.715
  101   1HH2  ARG  12          1HH2      ARG  12   2.981   2.423  -3.324
  102   2HH2  ARG  12          2HH2      ARG  12   3.840   4.109  -3.385
  103    H    THR  13           H        THR  13   3.202  -1.830   3.163
  104    HA   THR  13           HA       THR  13   2.624  -0.260   5.563
  105    HB   THR  13           HB       THR  13   2.086  -3.492   5.243
  106    HG1  THR  13           HG1      THR  13   1.430  -1.878   3.684
  107   1HG2  THR  13          1HG2      THR  13   0.868  -1.310   7.164
  108   2HG2  THR  13          2HG2      THR  13   0.085  -2.742   6.895
  109   3HG2  THR  13          3HG2      THR  13   1.532  -2.833   7.772
  110    H    ARG  14           H        ARG  14   5.557  -1.760   5.231
  111    HA   ARG  14           HA       ARG  14   6.063  -1.949   8.173
  112   1HB   ARG  14          1HB       ARG  14   8.068  -2.486   5.920
  113   2HB   ARG  14          2HB       ARG  14   8.509  -2.519   7.599
  114   1HG   ARG  14          2HG       ARG  14   8.401  -4.807   7.287
  115   2HG   ARG  14          1HG       ARG  14   6.691  -4.428   7.852
  116   1HD   ARG  14          1HD       ARG  14   6.187  -4.524   5.078
  117   2HD   ARG  14          2HD       ARG  14   7.667  -4.940   4.967
  118    HE   ARG  14           HE       ARG  14   7.682  -7.169   5.931
  119   1HH1  ARG  14          1HH1      ARG  14   4.391  -5.682   5.976
  120   2HH1  ARG  14          2HH1      ARG  14   3.876  -7.404   5.949
  121   1HH2  ARG  14          1HH2      ARG  14   6.608  -8.835   5.053
  122   2HH2  ARG  14          2HH2      ARG  14   4.682  -8.738   5.298
  123    H    HIS  15           H        HIS  15   5.827   0.208   5.771
  124    HA   HIS  15           HA       HIS  15   7.648   2.165   6.852
  125   1HB   HIS  15          2HB       HIS  15   5.464   2.549   4.836
  126   2HB   HIS  15          1HB       HIS  15   6.726   3.747   5.285
  127    HD1  HIS  15           HD1      HIS  15   6.301   3.269   2.637
  128    HD2  HIS  15           HD2      HIS  15   8.860   0.804   4.337
  129    HE1  HIS  15           HE1      HIS  15   8.477   3.184   0.909
  130    HE2  HIS  15           HE2      HIS  15  10.208   1.554   2.110
  131    H    LEU  16           H        LEU  16   4.681   0.970   7.863
  132    HA   LEU  16           HA       LEU  16   3.354   3.598   7.633
  133   1HB   LEU  16          1HB       LEU  16   1.856   1.688   7.456
  134   2HB   LEU  16          2HB       LEU  16   2.363   1.157   9.113
  135    HG   LEU  16           HG       LEU  16   0.944   3.799   9.352
  136   1HD1  LEU  16          1HD2      LEU  16  -0.627   3.328   7.770
  137   2HD1  LEU  16          2HD2      LEU  16  -0.860   1.677   8.198
  138   3HD1  LEU  16          3HD2      LEU  16  -1.294   2.645   9.540
  139   1HD2  LEU  16          1HD1      LEU  16   1.483   2.622  11.352
  140   2HD2  LEU  16          2HD1      LEU  16  -0.224   2.437  11.235
  141   3HD2  LEU  16          3HD1      LEU  16   0.794   1.047  10.961
  142    HA   PRO  17           HA       PRO  17   4.756   3.746  12.587
  143   1HB   PRO  17          1HB       PRO  17   6.870   2.234  11.496
  144   2HB   PRO  17          2HB       PRO  17   6.732   2.463  13.162
  145   1HG   PRO  17          1HG       PRO  17   5.701   0.131  12.131
  146   2HG   PRO  17          2HG       PRO  17   4.655   1.051  13.134
  147   1HD   PRO  17          1HD       PRO  17   4.853   0.736  10.036
  148   2HD   PRO  17          2HD       PRO  17   3.470   1.057  10.985
  149    H    LEU  18           H        LEU  18   6.664   4.291   9.544
  150    HA   LEU  18           HA       LEU  18   8.175   6.617  10.683
  151   1HB   LEU  18          2HB       LEU  18   9.286   6.792   8.490
  152   2HB   LEU  18          1HB       LEU  18   9.751   5.332   9.564
  153    HG   LEU  18           HG       LEU  18   8.036   4.151   8.041
  154   1HD1  LEU  18          1HD1      LEU  18   8.239   6.871   6.494
  155   2HD1  LEU  18          2HD1      LEU  18   7.904   5.436   5.494
  156   3HD1  LEU  18          3HD1      LEU  18   6.783   5.669   6.813
  157   1HD2  LEU  18          1HD2      LEU  18  10.469   5.325   6.634
  158   2HD2  LEU  18          2HD2      LEU  18   9.666   4.007   5.810
  159   3HD2  LEU  18          3HD2      LEU  18  10.181   3.696   7.674
  160    H    GLN  19           H        GLN  19   5.506   6.185   8.413
  161    HA   GLN  19           HA       GLN  19   4.062   7.610   7.353
  162   1HB   GLN  19          1HB       GLN  19   3.206   7.423   9.538
  163   2HB   GLN  19          2HB       GLN  19   4.141   8.850  10.127
  164   1HG   GLN  19          2HG       GLN  19   2.168   9.927   8.052
  165   2HG   GLN  19          1HG       GLN  19   1.508   8.437   8.962
  166   1HE2  GLN  19          1HE2      GLN  19   2.940  11.538   9.401
  167   2HE2  GLN  19          2HE2      GLN  19   2.447  11.579  11.243
  168    H    PHE  20           H        PHE  20   6.093   8.011   5.799
  169    HA   PHE  20           HA       PHE  20   5.103  10.800   5.112
  170   1HB   PHE  20          2HB       PHE  20   7.202  10.653   3.263
  171   2HB   PHE  20          1HB       PHE  20   7.322  11.312   4.891
  172    HD1  PHE  20           HD1      PHE  20   8.489   9.885   6.667
  173    HD2  PHE  20           HD2      PHE  20   8.436   8.576   2.567
  174    HE1  PHE  20           HE1      PHE  20  10.571   8.489   7.017
  175    HE2  PHE  20           HE2      PHE  20  10.458   7.404   2.977
  176    HZ   PHE  20           HZ       PHE  20  11.583   7.332   5.000
  177    H    SER  21           H        SER  21   5.367   7.550   3.634
  178    HA   SER  21           HA       SER  21   3.682   8.446   1.329
  179   1HB   SER  21          2HB       SER  21   6.322   7.729   1.270
  180   2HB   SER  21          1HB       SER  21   5.602   5.961   1.113
  181    HG   SER  21           HG       SER  21   4.389   7.988  -0.340
  182    H    ARG  22           H        ARG  22   2.439   8.373   3.487
  183    HA   ARG  22           HA       ARG  22   1.141   5.878   4.186
  184   1HB   ARG  22          1HB       ARG  22  -0.426   7.363   5.301
  185   2HB   ARG  22          2HB       ARG  22   1.234   7.491   5.686
  186   1HG   ARG  22          1HG       ARG  22  -0.555   9.351   4.131
  187   2HG   ARG  22          2HG       ARG  22  -0.255   9.615   5.842
  188   1HD   ARG  22          1HD       ARG  22   2.281  10.290   4.899
  189   2HD   ARG  22          2HD       ARG  22   1.805   9.732   3.398
  190    HE   ARG  22           HE       ARG  22   0.669  11.715   2.919
  191   1HH1  ARG  22          1HH2      ARG  22   0.620  11.185   6.367
  192   2HH1  ARG  22          2HH2      ARG  22   0.021  12.949   6.751
  193   1HH2  ARG  22          1HH1      ARG  22  -0.288  13.518   3.294
  194   2HH2  ARG  22          2HH1      ARG  22  -0.612  14.089   4.979
  195    H    THR  23           H        THR  23   0.057   8.312   2.406
  196    HA   THR  23           HA       THR  23  -2.155   6.986   0.754
  197    HB   THR  23           HB       THR  23  -2.361   9.082  -0.583
  198    HG1  THR  23           HG1      THR  23   0.085   9.701  -0.029
  199   1HG2  THR  23          1HG2      THR  23  -2.841  10.703   1.167
  200   2HG2  THR  23          2HG2      THR  23  -3.683   9.017   1.350
  201   3HG2  THR  23          3HG2      THR  23  -2.451   9.573   2.448
  202    H    GLY  24           H        GLY  24   1.255   7.726   0.217
  203   1HA   GLY  24          1HA       GLY  24   2.744   7.111  -1.287
  204   2HA   GLY  24          2HA       GLY  24   1.721   5.760  -1.901
  205    HA   PRO  25           HA       PRO  25   1.049   9.863  -4.538
  206   1HB   PRO  25          1HB       PRO  25   3.831  10.937  -5.500
  207   2HB   PRO  25          2HB       PRO  25   2.706  11.676  -4.415
  208   1HG   PRO  25          1HG       PRO  25   4.821   9.564  -4.141
  209   2HG   PRO  25          2HG       PRO  25   4.923  10.969  -3.087
  210   1HD   PRO  25          1HD       PRO  25   3.904   8.690  -2.047
  211   2HD   PRO  25          2HD       PRO  25   2.772  10.026  -1.901
  212    H    LEU  26           H        LEU  26   2.307   7.068  -5.526
  213    HA   LEU  26           HA       LEU  26   2.112   7.588  -8.603
  214   1HB   LEU  26          2HB       LEU  26   3.020   4.800  -7.328
  215   2HB   LEU  26          1HB       LEU  26   3.019   5.512  -8.962
  216    HG   LEU  26           HG       LEU  26   4.800   7.241  -7.473
  217   1HD1  LEU  26          1HD2      LEU  26   5.404   4.266  -6.673
  218   2HD1  LEU  26          2HD2      LEU  26   4.687   5.334  -5.450
  219   3HD1  LEU  26          3HD2      LEU  26   6.277   5.766  -6.151
  220   1HD2  LEU  26          1HD1      LEU  26   6.780   6.095  -8.642
  221   2HD2  LEU  26          2HD1      LEU  26   5.433   7.044  -9.549
  222   3HD2  LEU  26          3HD1      LEU  26   5.492   5.239  -9.627
  223    H    CYS  27           H        CYS  27   0.971   5.392  -5.910
  224    HA   CYS  27           HA       CYS  27  -1.550   4.549  -7.493
  225   1HB   CYS  27          1HB       CYS  27  -1.725   2.486  -6.647
  226   2HB   CYS  27          2HB       CYS  27  -0.086   2.529  -7.198
  227    HG   CYS  27           HG       CYS  27   1.165   3.048  -5.033
  228    HA   PRO  28           HA       PRO  28  -2.595   7.148  -3.636
  229   1HB   PRO  28          1HB       PRO  28  -4.927   8.325  -5.273
  230   2HB   PRO  28          2HB       PRO  28  -3.490   9.333  -4.704
  231   1HG   PRO  28          1HG       PRO  28  -4.011   8.204  -7.448
  232   2HG   PRO  28          2HG       PRO  28  -2.473   9.124  -6.963
  233   1HD   PRO  28          1HD       PRO  28  -3.285   6.254  -7.516
  234   2HD   PRO  28          2HD       PRO  28  -1.693   6.962  -7.314
  235    H    ALA  29           H        ALA  29  -3.186   5.553  -2.547
  236    HA   ALA  29           HA       ALA  29  -4.728   4.506  -0.800
  237   1HB   ALA  29          1HB       ALA  29  -7.495   5.121  -2.461
  238   2HB   ALA  29          2HB       ALA  29  -7.001   4.564  -0.896
  239   3HB   ALA  29          3HB       ALA  29  -6.673   6.183  -1.420
  240    H    CYS  30           H        CYS  30  -3.269   3.204  -2.319
  241    HA   CYS  30           HA       CYS  30  -4.969   0.917  -3.362
  242   1HB   CYS  30          1HB       CYS  30  -3.119   1.796  -4.835
  243   2HB   CYS  30          2HB       CYS  30  -1.898   1.648  -3.497
  244    HG   CYS  30           HG       CYS  30  -1.050   0.015  -4.749
  245    H    MET  31           H        MET  31  -2.810   1.597  -0.505
  246    HA   MET  31           HA       MET  31  -1.946  -0.777   0.417
  247   1HB   MET  31          2HB       MET  31  -1.509   1.684   0.786
  248   2HB   MET  31          1HB       MET  31  -2.795   1.547   2.017
  249   1HG   MET  31          2HG       MET  31  -1.350  -0.771   2.628
  250   2HG   MET  31          1HG       MET  31  -0.035   0.436   1.862
  251   1HE   MET  31          1HE       MET  31  -2.969  -0.475   4.310
  252   2HE   MET  31          2HE       MET  31  -1.610  -0.603   5.310
  253   3HE   MET  31          3HE       MET  31  -2.743   0.512   5.800
  254    H    LYS  32           H        LYS  32  -5.174   0.488   0.559
  255    HA   LYS  32           HA       LYS  32  -6.080  -1.161   2.926
  256   1HB   LYS  32          1HB       LYS  32  -8.352   0.015   2.623
  257   2HB   LYS  32          2HB       LYS  32  -7.160   1.202   2.592
  258   1HG   LYS  32          1HG       LYS  32  -7.213   0.628  -0.310
  259   2HG   LYS  32          2HG       LYS  32  -8.971   0.367   0.296
  260   1HD   LYS  32          2HD       LYS  32  -8.964   2.546   1.468
  261   2HD   LYS  32          1HD       LYS  32  -7.491   2.881   0.680
  262   1HE   LYS  32          1HE       LYS  32  -9.027   3.301  -1.495
  263   2HE   LYS  32          2HE       LYS  32 -10.301   2.309  -0.715
  264   1HZ   LYS  32          1HZ       LYS  32  -9.583   4.007   0.872
  265   2HZ   LYS  32          2HZ       LYS  32  -9.913   5.146  -0.285
  266   3HZ   LYS  32          3HZ       LYS  32 -11.166   4.043   0.156
  267    H    ALA  33           H        ALA  33  -6.108  -1.628  -0.631
  268    HA   ALA  33           HA       ALA  33  -8.180  -4.027  -0.321
  269   1HB   ALA  33          1HB       ALA  33  -8.439  -2.439  -2.472
  270   2HB   ALA  33          2HB       ALA  33  -6.929  -2.789  -3.063
  271   3HB   ALA  33          3HB       ALA  33  -8.249  -4.222  -2.756
  272    H    THR  34           H        THR  34  -4.699  -3.526  -0.275
  273    HA   THR  34           HA       THR  34  -3.704  -6.182  -1.029
  274    HB   THR  34           HB       THR  34  -2.709  -4.556   1.383
  275    HG1  THR  34           HG1      THR  34  -3.017  -3.385  -1.138
  276   1HG2  THR  34          1HG2      THR  34  -1.362  -6.303   1.199
  277   2HG2  THR  34          2HG2      THR  34  -1.461  -6.384  -0.504
  278   3HG2  THR  34          3HG2      THR  34  -0.406  -4.914   0.315
  279    H    LEU  35           H        LEU  35  -4.967  -5.009   1.945
  280    HA   LEU  35           HA       LEU  35  -4.562  -7.550   3.625
  281   1HB   LEU  35          2HB       LEU  35  -6.679  -5.335   4.099
  282   2HB   LEU  35          1HB       LEU  35  -6.393  -6.916   5.231
  283    HG   LEU  35           HG       LEU  35  -3.795  -5.879   4.953
  284   1HD1  LEU  35          1HD1      LEU  35  -5.472  -3.118   4.974
  285   2HD1  LEU  35          2HD1      LEU  35  -4.509  -3.745   3.534
  286   3HD1  LEU  35          3HD1      LEU  35  -3.793  -3.415   5.136
  287   1HD2  LEU  35          1HD2      LEU  35  -4.511  -6.691   6.861
  288   2HD2  LEU  35          2HD2      LEU  35  -3.706  -5.385   7.028
  289   3HD2  LEU  35          3HD2      LEU  35  -5.404  -5.424   7.437
  290    H    GLN  36           H        GLN  36  -7.441  -6.754   1.507
  291    HA   GLN  36           HA       GLN  36  -9.095  -8.936   2.630
  292   1HB   GLN  36          1HB       GLN  36  -9.496  -6.866   0.499
  293   2HB   GLN  36          2HB       GLN  36 -10.380  -8.430   0.528
  294   1HG   GLN  36          1HG       GLN  36 -11.006  -7.880   2.980
  295   2HG   GLN  36          2HG       GLN  36 -10.577  -6.203   2.681
  296   1HE2  GLN  36          2HE2      GLN  36 -12.878  -6.976   3.457
  297   2HE2  GLN  36          1HE2      GLN  36 -14.351  -7.268   2.196
  298    HA   PRO  37           HA       PRO  37  -7.716 -11.792  -0.656
  299   1HB   PRO  37          1HB       PRO  37  -6.213 -10.953  -3.010
  300   2HB   PRO  37          2HB       PRO  37  -7.969 -11.335  -2.819
  301   1HG   PRO  37          1HG       PRO  37  -6.586  -8.720  -3.273
  302   2HG   PRO  37          2HG       PRO  37  -8.281  -9.059  -3.234
  303   1HD   PRO  37          1HD       PRO  37  -6.675  -7.942  -1.071
  304   2HD   PRO  37          2HD       PRO  37  -8.530  -7.944  -1.327
  305    H    GLU  38           H        GLU  38  -5.172  -9.653   0.951
  306    HA   GLU  38           HA       GLU  38  -3.267 -12.046   0.435
  307   1HB   GLU  38          1HB       GLU  38  -1.774 -11.516   1.740
  308   2HB   GLU  38          2HB       GLU  38  -1.883  -9.944   0.824
  309   1HG   GLU  38          1HG       GLU  38  -2.448  -8.620   2.639
  310   2HG   GLU  38          2HG       GLU  38  -3.239  -9.990   3.707
  Start of MODEL   25
    1   1H    TRP   1          1H        TRP   1  -4.182   1.035  -9.966
    2   2H    TRP   1          2H        TRP   1  -4.735  -0.344 -10.786
    3   3H    TRP   1          3H        TRP   1  -5.576   0.284  -9.431
    4    HA   TRP   1           HA       TRP   1  -2.884  -0.670  -8.805
    5   1HB   TRP   1          1HB       TRP   1  -4.112  -0.280  -6.431
    6   2HB   TRP   1          2HB       TRP   1  -4.173   1.180  -7.446
    7    HD1  TRP   1           HD1      TRP   1  -6.702   1.968  -8.099
    8    HE1  TRP   1           HE1      TRP   1  -9.066   1.000  -8.287
    9    HE3  TRP   1           HE3      TRP   1  -5.754  -2.573  -5.610
   10    HZ2  TRP   1           HZ2      TRP   1 -10.349  -1.223  -6.979
   11    HZ3  TRP   1           HZ3      TRP   1  -7.353  -4.044  -5.403
   12    HH2  TRP   1           HH2      TRP   1 -10.069  -3.413  -5.939
   13    H    LEU   2           H        LEU   2  -4.922  -2.161 -10.544
   14    HA   LEU   2           HA       LEU   2  -5.950  -4.658  -8.830
   15   1HB   LEU   2          1HB       LEU   2  -6.273  -3.511 -11.747
   16   2HB   LEU   2          2HB       LEU   2  -6.272  -5.076 -11.527
   17    HG   LEU   2           HG       LEU   2  -7.872  -5.588 -10.039
   18   1HD1  LEU   2          1HD1      LEU   2  -8.676  -2.528 -10.751
   19   2HD1  LEU   2          2HD1      LEU   2  -7.759  -2.704  -9.125
   20   3HD1  LEU   2          3HD1      LEU   2  -9.382  -3.613  -9.120
   21   1HD2  LEU   2          1HD2      LEU   2  -8.683  -3.937 -12.575
   22   2HD2  LEU   2          2HD2      LEU   2  -9.747  -4.813 -11.628
   23   3HD2  LEU   2          3HD2      LEU   2  -8.369  -5.730 -12.374
   24    H    ILE   3           H        ILE   3  -3.441  -4.233 -11.077
   25    HA   ILE   3           HA       ILE   3  -2.214  -6.748 -10.117
   26    HB   ILE   3           HB       ILE   3  -1.749  -5.491 -12.584
   27   1HG1  ILE   3          1HG1      ILE   3   0.616  -6.600 -12.615
   28   2HG1  ILE   3          2HG1      ILE   3   0.577  -6.830 -10.815
   29   1HG2  ILE   3          1HG2      ILE   3  -1.027  -3.197 -11.598
   30   2HG2  ILE   3          2HG2      ILE   3   0.468  -4.290 -11.195
   31   3HG2  ILE   3          3HG2      ILE   3   0.036  -3.975 -12.905
   32   1HD1  ILE   3          1HD1      ILE   3  -0.364  -8.936 -12.251
   33   2HD1  ILE   3          2HD1      ILE   3  -1.801  -8.040 -12.027
   34   3HD1  ILE   3          3HD1      ILE   3  -0.947  -7.769 -13.478
   35    H    CYS   4           H        CYS   4  -2.133  -3.697  -8.897
   36    HA   CYS   4           HA       CYS   4   0.691  -3.314  -8.284
   37   1HB   CYS   4          2HB       CYS   4  -0.642  -1.226  -8.619
   38   2HB   CYS   4          1HB       CYS   4  -1.418  -1.382  -6.978
   39    HG   CYS   4           HG       CYS   4   1.562  -0.625  -7.781
   40    H    GLU   5           H        GLU   5  -2.340  -3.024  -6.387
   41    HA   GLU   5           HA       GLU   5  -1.795  -3.014  -3.750
   42   1HB   GLU   5          2HB       GLU   5  -3.683  -4.354  -2.869
   43   2HB   GLU   5          1HB       GLU   5  -3.985  -2.986  -4.156
   44   1HG   GLU   5          1HG       GLU   5  -4.767  -4.839  -5.583
   45   2HG   GLU   5          2HG       GLU   5  -3.899  -6.134  -4.988
   46    H    GLU   6           H        GLU   6  -2.002  -6.339  -5.031
   47    HA   GLU   6           HA       GLU   6  -1.148  -7.434  -2.403
   48   1HB   GLU   6          1HB       GLU   6  -2.437  -8.794  -3.736
   49   2HB   GLU   6          2HB       GLU   6  -1.119  -8.943  -4.909
   50   1HG   GLU   6          2HG       GLU   6  -1.580 -11.112  -3.982
   51   2HG   GLU   6          1HG       GLU   6   0.178 -10.414  -3.428
   52    HA   PRO   7           HA       PRO   7   3.622  -8.362  -3.563
   53   1HB   PRO   7          1HB       PRO   7   4.721  -7.006  -5.662
   54   2HB   PRO   7          2HB       PRO   7   3.978  -8.565  -5.779
   55   1HG   PRO   7          1HG       PRO   7   2.593  -5.954  -6.769
   56   2HG   PRO   7          2HG       PRO   7   2.884  -7.623  -7.497
   57   1HD   PRO   7          1HD       PRO   7   0.580  -6.660  -6.055
   58   2HD   PRO   7          2HD       PRO   7   0.846  -8.308  -6.099
   59    H    THR   8           H        THR   8   2.871  -4.849  -4.592
   60    HA   THR   8           HA       THR   8   5.336  -3.873  -2.989
   61    HB   THR   8           HB       THR   8   3.581  -1.948  -4.436
   62    HG1  THR   8           HG1      THR   8   4.032  -2.554  -6.451
   63   1HG2  THR   8          1HG2      THR   8   6.423  -1.912  -4.050
   64   2HG2  THR   8          2HG2      THR   8   5.314  -0.931  -5.325
   65   3HG2  THR   8          3HG2      THR   8   5.081  -0.988  -3.409
   66    H    CYS   9           H        CYS   9   2.112  -2.889  -2.997
   67    HA   CYS   9           HA       CYS   9   2.338  -1.199  -0.741
   68   1HB   CYS   9          1HB       CYS   9  -0.082  -2.785  -1.829
   69   2HB   CYS   9          2HB       CYS   9  -0.294  -1.425  -0.651
   70    HG   CYS   9           HG       CYS   9   0.420  -1.511  -3.688
   71    H    ARG  10           H        ARG  10   1.911  -4.526  -0.415
   72    HA   ARG  10           HA       ARG  10   1.774  -4.733   2.526
   73   1HB   ARG  10          1HB       ARG  10   1.215  -6.572   0.697
   74   2HB   ARG  10          2HB       ARG  10   2.802  -6.669   0.416
   75   1HG   ARG  10          2HG       ARG  10   2.653  -7.286   3.324
   76   2HG   ARG  10          1HG       ARG  10   1.216  -7.890   2.511
   77   1HD   ARG  10          1HD       ARG  10   3.027  -8.955   0.844
   78   2HD   ARG  10          2HD       ARG  10   4.287  -8.372   2.164
   79    HE   ARG  10           HE       ARG  10   2.065 -10.357   2.960
   80   1HH1  ARG  10          1HH2      ARG  10   5.437  -9.967   1.954
   81   2HH1  ARG  10          2HH2      ARG  10   5.500 -11.804   2.164
   82   1HH2  ARG  10          2HH1      ARG  10   2.526 -12.100   3.735
   83   2HH2  ARG  10          1HH1      ARG  10   4.218 -12.876   3.165
   84    H    ASN  11           H        ASN  11   4.769  -5.076   0.486
   85    HA   ASN  11           HA       ASN  11   6.280  -4.608   2.875
   86   1HB   ASN  11          1HB       ASN  11   7.245  -4.086  -0.119
   87   2HB   ASN  11          2HB       ASN  11   8.341  -4.118   1.388
   88   1HD2  ASN  11          2HD2      ASN  11   6.739  -6.227  -0.969
   89   2HD2  ASN  11          1HD2      ASN  11   7.247  -7.618   0.006
   90    H    ARG  12           H        ARG  12   4.555  -2.182   1.175
   91    HA   ARG  12           HA       ARG  12   6.064   0.031   2.287
   92   1HB   ARG  12          2HB       ARG  12   5.043   1.639   1.391
   93   2HB   ARG  12          1HB       ARG  12   4.800   0.640  -0.056
   94   1HG   ARG  12          1HG       ARG  12   2.256   0.218   0.805
   95   2HG   ARG  12          2HG       ARG  12   2.590   1.320   2.206
   96   1HD   ARG  12          1HD       ARG  12   1.280   2.194   0.445
   97   2HD   ARG  12          2HD       ARG  12   2.702   3.178   0.994
   98    HE   ARG  12           HE       ARG  12   2.430   1.508  -1.635
   99   1HH1  ARG  12          1HH1      ARG  12   3.787   4.377  -0.019
  100   2HH1  ARG  12          2HH1      ARG  12   3.969   5.234  -1.505
  101   1HH2  ARG  12          1HH2      ARG  12   3.181   2.475  -3.543
  102   2HH2  ARG  12          2HH2      ARG  12   3.646   4.220  -3.393
  103    H    THR  13           H        THR  13   3.159  -1.715   3.094
  104    HA   THR  13           HA       THR  13   2.381  -0.342   5.320
  105    HB   THR  13           HB       THR  13   2.470  -3.351   5.409
  106    HG1  THR  13           HG1      THR  13   1.189  -1.649   3.912
  107   1HG2  THR  13          1HG2      THR  13   1.133  -1.287   7.345
  108   2HG2  THR  13          2HG2      THR  13   0.133  -2.718   6.822
  109   3HG2  THR  13          3HG2      THR  13   1.750  -2.922   7.653
  110    H    ARG  14           H        ARG  14   5.158  -2.018   5.116
  111    HA   ARG  14           HA       ARG  14   5.865  -2.036   8.066
  112   1HB   ARG  14          1HB       ARG  14   7.932  -2.553   5.876
  113   2HB   ARG  14          2HB       ARG  14   8.411  -2.334   7.681
  114   1HG   ARG  14          2HG       ARG  14   8.363  -4.567   7.399
  115   2HG   ARG  14          1HG       ARG  14   6.800  -4.458   7.952
  116   1HD   ARG  14          1HD       ARG  14   5.966  -4.635   5.583
  117   2HD   ARG  14          2HD       ARG  14   7.777  -4.674   5.057
  118    HE   ARG  14           HE       ARG  14   7.604  -7.134   6.108
  119   1HH1  ARG  14          1HH1      ARG  14   4.574  -5.826   6.235
  120   2HH1  ARG  14          2HH1      ARG  14   3.653  -7.353   5.864
  121   1HH2  ARG  14          1HH2      ARG  14   6.515  -8.871   5.309
  122   2HH2  ARG  14          2HH2      ARG  14   4.718  -8.815   5.136
  123    H    HIS  15           H        HIS  15   5.882  -0.088   5.698
  124    HA   HIS  15           HA       HIS  15   7.717   2.159   6.501
  125   1HB   HIS  15          2HB       HIS  15   5.555   2.506   4.452
  126   2HB   HIS  15          1HB       HIS  15   6.157   3.703   5.151
  127    HD1  HIS  15           HD1      HIS  15   6.461   3.215   2.007
  128    HD2  HIS  15           HD2      HIS  15   8.880   0.824   4.412
  129    HE1  HIS  15           HE1      HIS  15   8.361   3.057   0.918
  130    HE2  HIS  15           HE2      HIS  15  10.328   1.741   2.210
  131    H    LEU  16           H        LEU  16   4.573   1.040   7.813
  132    HA   LEU  16           HA       LEU  16   3.011   3.618   7.826
  133   1HB   LEU  16          1HB       LEU  16   1.787   1.507   7.472
  134   2HB   LEU  16          2HB       LEU  16   2.186   0.957   8.867
  135    HG   LEU  16           HG       LEU  16   1.022   3.732   9.391
  136   1HD1  LEU  16          1HD2      LEU  16  -0.766   3.343   7.963
  137   2HD1  LEU  16          2HD2      LEU  16  -0.842   1.443   8.262
  138   3HD1  LEU  16          3HD2      LEU  16  -1.434   2.838   9.357
  139   1HD2  LEU  16          1HD1      LEU  16   1.704   2.290  11.300
  140   2HD2  LEU  16          2HD1      LEU  16  -0.050   2.602  11.159
  141   3HD2  LEU  16          3HD1      LEU  16   0.545   1.040  10.633
  142    HA   PRO  17           HA       PRO  17   4.588   3.874  12.584
  143   1HB   PRO  17          1HB       PRO  17   6.919   2.198  11.621
  144   2HB   PRO  17          2HB       PRO  17   6.560   2.621  13.249
  145   1HG   PRO  17          1HG       PRO  17   6.194   0.385  12.227
  146   2HG   PRO  17          2HG       PRO  17   4.471   1.070  13.137
  147   1HD   PRO  17          1HD       PRO  17   4.952   0.999  10.054
  148   2HD   PRO  17          2HD       PRO  17   3.375   1.100  10.840
  149    H    LEU  18           H        LEU  18   6.579   4.099   9.675
  150    HA   LEU  18           HA       LEU  18   8.199   6.534  10.701
  151   1HB   LEU  18          2HB       LEU  18   9.516   6.677   8.545
  152   2HB   LEU  18          1HB       LEU  18   9.741   5.205   9.392
  153    HG   LEU  18           HG       LEU  18   8.181   4.022   7.745
  154   1HD1  LEU  18          1HD1      LEU  18   8.111   6.904   6.648
  155   2HD1  LEU  18          2HD1      LEU  18   7.985   5.584   5.515
  156   3HD1  LEU  18          3HD1      LEU  18   6.799   6.026   6.593
  157   1HD2  LEU  18          1HD2      LEU  18  10.591   5.338   6.534
  158   2HD2  LEU  18          2HD2      LEU  18   9.570   3.803   6.030
  159   3HD2  LEU  18          3HD2      LEU  18  10.576   3.906   7.354
  160    H    GLN  19           H        GLN  19   5.664   6.248   8.207
  161    HA   GLN  19           HA       GLN  19   3.930   7.514   7.516
  162   1HB   GLN  19          1HB       GLN  19   3.466   7.466   9.747
  163   2HB   GLN  19          2HB       GLN  19   4.192   8.993   9.938
  164   1HG   GLN  19          2HG       GLN  19   2.350   9.849   8.050
  165   2HG   GLN  19          1HG       GLN  19   1.395   8.659   8.818
  166   1HE2  GLN  19          1HE2      GLN  19   2.960  11.636   9.397
  167   2HE2  GLN  19          2HE2      GLN  19   2.550  11.815  11.161
  168    H    PHE  20           H        PHE  20   6.180   8.137   5.964
  169    HA   PHE  20           HA       PHE  20   5.197  10.994   4.896
  170   1HB   PHE  20          2HB       PHE  20   7.349  10.748   3.357
  171   2HB   PHE  20          1HB       PHE  20   7.363  11.186   5.036
  172    HD1  PHE  20           HD1      PHE  20   8.364   9.778   6.603
  173    HD2  PHE  20           HD2      PHE  20   8.246   8.513   2.662
  174    HE1  PHE  20           HE1      PHE  20  10.470   8.599   7.039
  175    HE2  PHE  20           HE2      PHE  20  10.291   7.231   2.958
  176    HZ   PHE  20           HZ       PHE  20  11.635   7.517   5.164
  177    H    SER  21           H        SER  21   5.542   7.778   3.828
  178    HA   SER  21           HA       SER  21   3.709   8.451   1.371
  179   1HB   SER  21          2HB       SER  21   6.322   7.483   0.883
  180   2HB   SER  21          1HB       SER  21   5.734   5.973   1.326
  181    HG   SER  21           HG       SER  21   4.802   8.123  -0.215
  182    H    ARG  22           H        ARG  22   2.816   8.040   3.705
  183    HA   ARG  22           HA       ARG  22   1.098   5.779   3.910
  184   1HB   ARG  22          1HB       ARG  22  -0.539   7.430   5.232
  185   2HB   ARG  22          2HB       ARG  22   1.113   7.435   5.748
  186   1HG   ARG  22          1HG       ARG  22  -0.584   9.319   4.298
  187   2HG   ARG  22          2HG       ARG  22   0.004   9.541   5.849
  188   1HD   ARG  22          1HD       ARG  22   1.926  10.321   5.058
  189   2HD   ARG  22          2HD       ARG  22   1.826   9.722   3.400
  190    HE   ARG  22           HE       ARG  22   0.796  11.621   2.853
  191   1HH1  ARG  22          1HH2      ARG  22   0.549  11.225   6.548
  192   2HH1  ARG  22          2HH2      ARG  22  -0.029  12.987   6.781
  193   1HH2  ARG  22          1HH1      ARG  22   0.023  13.496   3.218
  194   2HH2  ARG  22          2HH1      ARG  22  -0.794  14.037   4.799
  195    H    THR  23           H        THR  23  -0.122   8.403   2.312
  196    HA   THR  23           HA       THR  23  -2.139   6.826   0.730
  197    HB   THR  23           HB       THR  23  -2.209   9.038  -0.651
  198    HG1  THR  23           HG1      THR  23   0.135   9.539   0.035
  199   1HG2  THR  23          1HG2      THR  23  -3.156  10.654   1.343
  200   2HG2  THR  23          2HG2      THR  23  -3.625   9.082   1.437
  201   3HG2  THR  23          3HG2      THR  23  -2.199   9.515   2.385
  202    H    GLY  24           H        GLY  24   1.450   7.118   0.224
  203   1HA   GLY  24          1HA       GLY  24   2.945   6.837  -1.568
  204   2HA   GLY  24          2HA       GLY  24   1.534   5.713  -1.967
  205    HA   PRO  25           HA       PRO  25   1.319  10.178  -4.542
  206   1HB   PRO  25          1HB       PRO  25   3.746  10.824  -5.679
  207   2HB   PRO  25          2HB       PRO  25   2.683  11.639  -4.425
  208   1HG   PRO  25          1HG       PRO  25   5.054   9.670  -3.781
  209   2HG   PRO  25          2HG       PRO  25   4.639  11.213  -3.147
  210   1HD   PRO  25          1HD       PRO  25   4.264   8.794  -2.130
  211   2HD   PRO  25          2HD       PRO  25   2.949  10.047  -1.814
  212    H    LEU  26           H        LEU  26   2.530   7.034  -5.605
  213    HA   LEU  26           HA       LEU  26   2.060   7.484  -8.558
  214   1HB   LEU  26          2HB       LEU  26   2.967   4.959  -7.309
  215   2HB   LEU  26          1HB       LEU  26   3.139   5.367  -8.873
  216    HG   LEU  26           HG       LEU  26   4.757   7.297  -7.141
  217   1HD1  LEU  26          1HD2      LEU  26   5.397   4.371  -6.619
  218   2HD1  LEU  26          2HD2      LEU  26   4.328   5.419  -5.630
  219   3HD1  LEU  26          3HD2      LEU  26   6.108   5.842  -5.883
  220   1HD2  LEU  26          1HD1      LEU  26   6.669   6.096  -8.800
  221   2HD2  LEU  26          2HD1      LEU  26   5.188   7.056  -9.536
  222   3HD2  LEU  26          3HD1      LEU  26   5.108   5.246  -9.349
  223    H    CYS  27           H        CYS  27   1.028   5.114  -5.983
  224    HA   CYS  27           HA       CYS  27  -1.746   4.757  -7.334
  225   1HB   CYS  27          1HB       CYS  27  -1.782   2.412  -6.514
  226   2HB   CYS  27          2HB       CYS  27   0.062   2.628  -7.080
  227    HG   CYS  27           HG       CYS  27   0.920   3.200  -4.871
  228    HA   PRO  28           HA       PRO  28  -2.786   7.452  -3.602
  229   1HB   PRO  28          1HB       PRO  28  -4.960   8.358  -5.452
  230   2HB   PRO  28          2HB       PRO  28  -3.655   9.220  -4.619
  231   1HG   PRO  28          1HG       PRO  28  -3.979   8.563  -7.482
  232   2HG   PRO  28          2HG       PRO  28  -2.410   9.011  -6.849
  233   1HD   PRO  28          1HD       PRO  28  -3.689   6.360  -7.369
  234   2HD   PRO  28          2HD       PRO  28  -1.948   6.691  -7.474
  235    H    ALA  29           H        ALA  29  -3.169   5.667  -2.513
  236    HA   ALA  29           HA       ALA  29  -4.760   4.742  -0.874
  237   1HB   ALA  29          1HB       ALA  29  -7.284   5.470  -2.584
  238   2HB   ALA  29          2HB       ALA  29  -7.102   4.686  -0.872
  239   3HB   ALA  29          3HB       ALA  29  -6.345   6.212  -0.986
  240    H    CYS  30           H        CYS  30  -3.167   3.085  -2.581
  241    HA   CYS  30           HA       CYS  30  -4.783   0.766  -3.547
  242   1HB   CYS  30          1HB       CYS  30  -3.108   1.904  -4.765
  243   2HB   CYS  30          2HB       CYS  30  -2.045   1.629  -3.583
  244    HG   CYS  30           HG       CYS  30  -1.069  -0.295  -4.964
  245    H    MET  31           H        MET  31  -3.081   1.701  -0.566
  246    HA   MET  31           HA       MET  31  -2.439  -0.983   0.214
  247   1HB   MET  31          2HB       MET  31  -1.531   1.631   0.836
  248   2HB   MET  31          1HB       MET  31  -2.687   1.652   2.160
  249   1HG   MET  31          2HG       MET  31  -0.927  -0.919   2.324
  250   2HG   MET  31          1HG       MET  31   0.042   0.423   1.984
  251   1HE   MET  31          1HE       MET  31  -3.311   0.003   4.336
  252   2HE   MET  31          2HE       MET  31  -1.865  -0.784   5.158
  253   3HE   MET  31          3HE       MET  31  -2.515   0.845   5.718
  254    H    LYS  32           H        LYS  32  -5.140   0.637   0.864
  255    HA   LYS  32           HA       LYS  32  -6.148  -1.299   2.898
  256   1HB   LYS  32          1HB       LYS  32  -8.282  -0.020   2.517
  257   2HB   LYS  32          2HB       LYS  32  -6.979   1.237   2.525
  258   1HG   LYS  32          1HG       LYS  32  -7.398   0.582  -0.482
  259   2HG   LYS  32          2HG       LYS  32  -8.977   0.156   0.342
  260   1HD   LYS  32          2HD       LYS  32  -8.928   2.413   1.549
  261   2HD   LYS  32          1HD       LYS  32  -7.599   3.074   0.643
  262   1HE   LYS  32          1HE       LYS  32  -9.082   3.048  -1.451
  263   2HE   LYS  32          2HE       LYS  32 -10.190   2.091  -0.572
  264   1HZ   LYS  32          1HZ       LYS  32 -10.095   4.153   1.126
  265   2HZ   LYS  32          2HZ       LYS  32  -9.547   4.877  -0.323
  266   3HZ   LYS  32          3HZ       LYS  32 -11.060   4.146  -0.028
  267    H    ALA  33           H        ALA  33  -6.009  -1.740  -0.574
  268    HA   ALA  33           HA       ALA  33  -8.016  -3.976  -0.269
  269   1HB   ALA  33          1HB       ALA  33  -8.326  -2.453  -2.347
  270   2HB   ALA  33          2HB       ALA  33  -6.564  -3.235  -2.946
  271   3HB   ALA  33          3HB       ALA  33  -8.164  -4.211  -2.938
  272    H    THR  34           H        THR  34  -4.745  -3.491  -0.267
  273    HA   THR  34           HA       THR  34  -3.669  -6.209  -0.922
  274    HB   THR  34           HB       THR  34  -2.795  -4.198   1.348
  275    HG1  THR  34           HG1      THR  34  -2.938  -3.587  -1.195
  276   1HG2  THR  34          1HG2      THR  34  -1.279  -6.200   1.159
  277   2HG2  THR  34          2HG2      THR  34  -1.363  -6.055  -0.644
  278   3HG2  THR  34          3HG2      THR  34  -0.525  -4.880   0.307
  279    H    LEU  35           H        LEU  35  -5.153  -5.198   2.180
  280    HA   LEU  35           HA       LEU  35  -4.442  -7.505   3.679
  281   1HB   LEU  35          2HB       LEU  35  -6.790  -5.465   4.322
  282   2HB   LEU  35          1HB       LEU  35  -6.510  -6.866   5.278
  283    HG   LEU  35           HG       LEU  35  -3.750  -5.802   4.820
  284   1HD1  LEU  35          1HD1      LEU  35  -5.574  -3.406   4.894
  285   2HD1  LEU  35          2HD1      LEU  35  -4.320  -3.929   3.570
  286   3HD1  LEU  35          3HD1      LEU  35  -3.868  -3.358   5.208
  287   1HD2  LEU  35          1HD2      LEU  35  -4.618  -6.784   6.809
  288   2HD2  LEU  35          2HD2      LEU  35  -3.933  -5.165   7.291
  289   3HD2  LEU  35          3HD2      LEU  35  -5.658  -5.452   7.199
  290    H    GLN  36           H        GLN  36  -7.439  -6.630   1.698
  291    HA   GLN  36           HA       GLN  36  -8.988  -8.803   2.818
  292   1HB   GLN  36          1HB       GLN  36  -9.611  -6.860   0.518
  293   2HB   GLN  36          2HB       GLN  36 -10.484  -8.512   0.440
  294   1HG   GLN  36          1HG       GLN  36 -10.859  -7.916   3.265
  295   2HG   GLN  36          2HG       GLN  36 -10.603  -6.168   2.665
  296   1HE2  GLN  36          2HE2      GLN  36 -13.076  -7.268   3.455
  297   2HE2  GLN  36          1HE2      GLN  36 -14.268  -7.090   2.063
  298    HA   PRO  37           HA       PRO  37  -7.868 -11.607  -0.855
  299   1HB   PRO  37          1HB       PRO  37  -5.995 -10.812  -2.778
  300   2HB   PRO  37          2HB       PRO  37  -7.769 -11.212  -2.983
  301   1HG   PRO  37          1HG       PRO  37  -6.774  -8.752  -3.425
  302   2HG   PRO  37          2HG       PRO  37  -8.442  -9.091  -3.173
  303   1HD   PRO  37          1HD       PRO  37  -6.829  -7.839  -1.014
  304   2HD   PRO  37          2HD       PRO  37  -8.608  -7.961  -1.279
  305    H    GLU  38           H        GLU  38  -5.039  -9.578   0.643
  306    HA   GLU  38           HA       GLU  38  -3.348 -12.182   0.548
  307   1HB   GLU  38          1HB       GLU  38  -1.607 -11.247   1.915
  308   2HB   GLU  38          2HB       GLU  38  -2.010  -9.811   0.731
  309   1HG   GLU  38          1HG       GLU  38  -2.537  -8.651   2.694
  310   2HG   GLU  38          2HG       GLU  38  -3.318  -9.673   3.566
  Start of MODEL   26
    1   1H    TRP   1          1H        TRP   1  -4.112   1.027 -10.126
    2   2H    TRP   1          2H        TRP   1  -4.756  -0.465 -10.648
    3   3H    TRP   1          3H        TRP   1  -5.627   0.573  -9.675
    4    HA   TRP   1           HA       TRP   1  -2.900  -0.402  -8.828
    5   1HB   TRP   1          1HB       TRP   1  -3.752  -0.299  -6.716
    6   2HB   TRP   1          2HB       TRP   1  -4.195   1.259  -7.538
    7    HD1  TRP   1           HD1      TRP   1  -6.884   2.013  -7.736
    8    HE1  TRP   1           HE1      TRP   1  -9.242   1.000  -8.053
    9    HE3  TRP   1           HE3      TRP   1  -5.722  -2.571  -6.155
   10    HZ2  TRP   1           HZ2      TRP   1 -10.428  -1.403  -7.175
   11    HZ3  TRP   1           HZ3      TRP   1  -7.620  -4.288  -5.644
   12    HH2  TRP   1           HH2      TRP   1  -9.902  -3.531  -5.955
   13    H    LEU   2           H        LEU   2  -4.821  -2.313 -10.467
   14    HA   LEU   2           HA       LEU   2  -5.928  -4.310  -8.782
   15   1HB   LEU   2          1HB       LEU   2  -6.258  -3.244 -11.570
   16   2HB   LEU   2          2HB       LEU   2  -5.988  -5.162 -11.442
   17    HG   LEU   2           HG       LEU   2  -7.939  -5.081  -9.723
   18   1HD1  LEU   2          1HD1      LEU   2  -9.044  -2.382 -10.539
   19   2HD1  LEU   2          2HD1      LEU   2  -7.872  -2.631  -9.201
   20   3HD1  LEU   2          3HD1      LEU   2  -9.603  -3.397  -9.431
   21   1HD2  LEU   2          1HD2      LEU   2  -8.665  -3.959 -12.606
   22   2HD2  LEU   2          2HD2      LEU   2  -9.758  -4.978 -11.488
   23   3HD2  LEU   2          3HD2      LEU   2  -8.367  -5.621 -12.393
   24    H    ILE   3           H        ILE   3  -3.035  -4.014 -10.971
   25    HA   ILE   3           HA       ILE   3  -2.093  -6.736 -10.255
   26    HB   ILE   3           HB       ILE   3  -1.831  -5.680 -12.513
   27   1HG1  ILE   3          1HG1      ILE   3   0.669  -6.213 -12.578
   28   2HG1  ILE   3          2HG1      ILE   3   0.490  -6.943 -10.771
   29   1HG2  ILE   3          1HG2      ILE   3  -1.070  -3.222 -11.919
   30   2HG2  ILE   3          2HG2      ILE   3   0.407  -3.764 -11.296
   31   3HG2  ILE   3          3HG2      ILE   3   0.012  -4.136 -12.960
   32   1HD1  ILE   3          1HD1      ILE   3  -0.413  -8.846 -12.038
   33   2HD1  ILE   3          2HD1      ILE   3  -1.809  -7.959 -11.918
   34   3HD1  ILE   3          3HD1      ILE   3  -0.887  -7.836 -13.479
   35    H    CYS   4           H        CYS   4  -2.171  -3.693  -8.782
   36    HA   CYS   4           HA       CYS   4   0.714  -3.323  -7.864
   37   1HB   CYS   4          2HB       CYS   4  -0.639  -1.122  -8.606
   38   2HB   CYS   4          1HB       CYS   4  -1.416  -1.424  -7.263
   39    HG   CYS   4           HG       CYS   4   1.667  -0.365  -7.532
   40    H    GLU   5           H        GLU   5  -2.299  -2.894  -6.243
   41    HA   GLU   5           HA       GLU   5  -1.743  -3.044  -3.801
   42   1HB   GLU   5          2HB       GLU   5  -3.452  -4.175  -2.814
   43   2HB   GLU   5          1HB       GLU   5  -4.238  -3.388  -4.178
   44   1HG   GLU   5          1HG       GLU   5  -5.032  -4.857  -5.389
   45   2HG   GLU   5          2HG       GLU   5  -3.842  -6.119  -5.154
   46    H    GLU   6           H        GLU   6  -1.751  -6.416  -5.010
   47    HA   GLU   6           HA       GLU   6  -1.153  -7.429  -2.415
   48   1HB   GLU   6          1HB       GLU   6  -2.451  -8.877  -4.016
   49   2HB   GLU   6          2HB       GLU   6  -1.243  -8.997  -5.050
   50   1HG   GLU   6          2HG       GLU   6  -1.227 -11.055  -4.085
   51   2HG   GLU   6          1HG       GLU   6   0.052 -10.401  -3.808
   52    HA   PRO   7           HA       PRO   7   3.579  -8.300  -3.488
   53   1HB   PRO   7          1HB       PRO   7   4.595  -6.986  -5.704
   54   2HB   PRO   7          2HB       PRO   7   4.039  -8.593  -5.789
   55   1HG   PRO   7          1HG       PRO   7   2.845  -5.966  -6.760
   56   2HG   PRO   7          2HG       PRO   7   2.661  -7.703  -7.468
   57   1HD   PRO   7          1HD       PRO   7   0.428  -6.757  -6.042
   58   2HD   PRO   7          2HD       PRO   7   1.210  -8.477  -6.112
   59    H    THR   8           H        THR   8   2.685  -4.653  -4.237
   60    HA   THR   8           HA       THR   8   5.334  -3.901  -3.364
   61    HB   THR   8           HB       THR   8   3.350  -2.307  -4.725
   62    HG1  THR   8           HG1      THR   8   4.293  -2.353  -6.323
   63   1HG2  THR   8          1HG2      THR   8   6.374  -1.871  -4.069
   64   2HG2  THR   8          2HG2      THR   8   5.696  -1.079  -5.384
   65   3HG2  THR   8          3HG2      THR   8   5.001  -0.641  -3.946
   66    H    CYS   9           H        CYS   9   2.012  -3.391  -2.779
   67    HA   CYS   9           HA       CYS   9   2.321  -1.230  -0.640
   68   1HB   CYS   9          1HB       CYS   9  -0.134  -2.776  -1.427
   69   2HB   CYS   9          2HB       CYS   9   0.024  -1.383  -0.394
   70    HG   CYS   9           HG       CYS   9   0.858  -1.783  -3.625
   71    H    ARG  10           H        ARG  10   2.092  -4.714  -0.367
   72    HA   ARG  10           HA       ARG  10   1.725  -4.805   2.634
   73   1HB   ARG  10          1HB       ARG  10   1.178  -6.714   0.898
   74   2HB   ARG  10          2HB       ARG  10   2.972  -6.784   0.457
   75   1HG   ARG  10          2HG       ARG  10   2.551  -7.030   3.199
   76   2HG   ARG  10          1HG       ARG  10   1.296  -7.943   2.525
   77   1HD   ARG  10          1HD       ARG  10   3.227  -9.155   1.014
   78   2HD   ARG  10          2HD       ARG  10   4.302  -8.379   2.041
   79    HE   ARG  10           HE       ARG  10   1.900 -10.153   2.990
   80   1HH1  ARG  10          1HH2      ARG  10   5.233  -9.938   1.965
   81   2HH1  ARG  10          2HH2      ARG  10   5.627 -11.686   2.123
   82   1HH2  ARG  10          2HH1      ARG  10   2.723 -12.121   4.060
   83   2HH2  ARG  10          1HH1      ARG  10   4.237 -12.819   3.273
   84    H    ASN  11           H        ASN  11   4.835  -4.845   0.365
   85    HA   ASN  11           HA       ASN  11   6.491  -4.722   2.843
   86   1HB   ASN  11          1HB       ASN  11   7.534  -3.803   0.006
   87   2HB   ASN  11          2HB       ASN  11   8.146  -4.076   1.596
   88   1HD2  ASN  11          2HD2      ASN  11   6.924  -6.181  -0.919
   89   2HD2  ASN  11          1HD2      ASN  11   7.300  -7.794  -0.183
   90    H    ARG  12           H        ARG  12   4.574  -2.354   1.097
   91    HA   ARG  12           HA       ARG  12   5.910   0.112   2.444
   92   1HB   ARG  12          2HB       ARG  12   4.774   1.662   1.429
   93   2HB   ARG  12          1HB       ARG  12   4.866   0.635   0.035
   94   1HG   ARG  12          1HG       ARG  12   2.416   0.186   0.764
   95   2HG   ARG  12          2HG       ARG  12   2.494   0.952   2.184
   96   1HD   ARG  12          1HD       ARG  12   1.243   2.328   0.680
   97   2HD   ARG  12          2HD       ARG  12   2.630   3.082   0.972
   98    HE   ARG  12           HE       ARG  12   2.518   1.496  -1.686
   99   1HH1  ARG  12          1HH1      ARG  12   3.336   4.359  -0.028
  100   2HH1  ARG  12          2HH1      ARG  12   4.028   5.047  -1.597
  101   1HH2  ARG  12          1HH2      ARG  12   3.034   2.460  -3.468
  102   2HH2  ARG  12          2HH2      ARG  12   3.567   4.252  -3.463
  103    H    THR  13           H        THR  13   3.100  -2.036   3.258
  104    HA   THR  13           HA       THR  13   2.643  -0.323   5.575
  105    HB   THR  13           HB       THR  13   2.092  -3.518   5.434
  106    HG1  THR  13           HG1      THR  13   0.710  -1.598   4.125
  107   1HG2  THR  13          1HG2      THR  13   1.093  -1.246   7.327
  108   2HG2  THR  13          2HG2      THR  13   0.160  -2.657   6.984
  109   3HG2  THR  13          3HG2      THR  13   1.747  -3.012   7.575
  110    H    ARG  14           H        ARG  14   5.398  -2.055   5.163
  111    HA   ARG  14           HA       ARG  14   5.915  -1.972   8.151
  112   1HB   ARG  14          1HB       ARG  14   8.080  -2.493   5.964
  113   2HB   ARG  14          2HB       ARG  14   8.395  -2.383   7.602
  114   1HG   ARG  14          2HG       ARG  14   8.327  -4.521   7.476
  115   2HG   ARG  14          1HG       ARG  14   6.597  -4.422   7.899
  116   1HD   ARG  14          1HD       ARG  14   6.051  -4.367   5.561
  117   2HD   ARG  14          2HD       ARG  14   7.507  -4.725   4.945
  118    HE   ARG  14           HE       ARG  14   7.749  -6.831   6.039
  119   1HH1  ARG  14          1HH1      ARG  14   4.158  -5.736   6.332
  120   2HH1  ARG  14          2HH1      ARG  14   3.684  -7.209   5.462
  121   1HH2  ARG  14          1HH2      ARG  14   6.566  -8.673   5.595
  122   2HH2  ARG  14          2HH2      ARG  14   4.756  -8.910   5.007
  123    H    HIS  15           H        HIS  15   5.733   0.131   5.705
  124    HA   HIS  15           HA       HIS  15   7.595   2.050   6.740
  125   1HB   HIS  15          2HB       HIS  15   5.460   2.485   4.497
  126   2HB   HIS  15          1HB       HIS  15   6.427   3.787   5.181
  127    HD1  HIS  15           HD1      HIS  15   6.303   3.483   2.044
  128    HD2  HIS  15           HD2      HIS  15   9.108   0.988   4.441
  129    HE1  HIS  15           HE1      HIS  15   8.254   2.683   0.852
  130    HE2  HIS  15           HE2      HIS  15  10.210   1.830   2.125
  131    H    LEU  16           H        LEU  16   4.843   1.245   7.957
  132    HA   LEU  16           HA       LEU  16   3.062   3.502   7.526
  133   1HB   LEU  16          1HB       LEU  16   1.632   2.043   7.426
  134   2HB   LEU  16          2HB       LEU  16   2.188   0.781   8.746
  135    HG   LEU  16           HG       LEU  16   0.966   3.730   9.192
  136   1HD1  LEU  16          1HD2      LEU  16  -0.789   2.756   7.603
  137   2HD1  LEU  16          2HD2      LEU  16  -0.845   1.310   8.295
  138   3HD1  LEU  16          3HD2      LEU  16  -1.523   2.424   9.405
  139   1HD2  LEU  16          1HD1      LEU  16   1.813   1.959  11.065
  140   2HD2  LEU  16          2HD1      LEU  16   0.276   2.583  11.440
  141   3HD2  LEU  16          3HD1      LEU  16   0.470   1.001  10.760
  142    HA   PRO  17           HA       PRO  17   4.498   3.939  12.465
  143   1HB   PRO  17          1HB       PRO  17   6.937   2.423  11.689
  144   2HB   PRO  17          2HB       PRO  17   6.434   2.696  13.375
  145   1HG   PRO  17          1HG       PRO  17   5.659   0.026  12.122
  146   2HG   PRO  17          2HG       PRO  17   4.588   1.110  13.234
  147   1HD   PRO  17          1HD       PRO  17   5.065   1.096  10.170
  148   2HD   PRO  17          2HD       PRO  17   3.529   0.986  10.999
  149    H    LEU  18           H        LEU  18   6.949   4.064   9.543
  150    HA   LEU  18           HA       LEU  18   8.099   6.514  10.577
  151   1HB   LEU  18          2HB       LEU  18   9.351   6.764   8.613
  152   2HB   LEU  18          1HB       LEU  18   9.564   5.132   9.549
  153    HG   LEU  18           HG       LEU  18   8.287   4.120   7.803
  154   1HD1  LEU  18          1HD1      LEU  18   8.202   6.892   6.652
  155   2HD1  LEU  18          2HD1      LEU  18   8.135   5.630   5.475
  156   3HD1  LEU  18          3HD1      LEU  18   6.772   5.689   6.674
  157   1HD2  LEU  18          1HD2      LEU  18  10.310   5.565   6.203
  158   2HD2  LEU  18          2HD2      LEU  18   9.633   3.983   5.874
  159   3HD2  LEU  18          3HD2      LEU  18  10.744   4.213   7.500
  160    H    GLN  19           H        GLN  19   5.741   6.207   8.005
  161    HA   GLN  19           HA       GLN  19   4.079   7.442   7.322
  162   1HB   GLN  19          1HB       GLN  19   3.440   7.726   9.891
  163   2HB   GLN  19          2HB       GLN  19   4.345   9.133   9.813
  164   1HG   GLN  19          2HG       GLN  19   2.560  10.000   8.158
  165   2HG   GLN  19          1HG       GLN  19   1.528   8.701   8.645
  166   1HE2  GLN  19          1HE2      GLN  19   2.921  11.849   9.336
  167   2HE2  GLN  19          2HE2      GLN  19   2.493  11.823  11.103
  168    H    PHE  20           H        PHE  20   6.201   8.201   5.817
  169    HA   PHE  20           HA       PHE  20   5.195  10.944   5.018
  170   1HB   PHE  20          2HB       PHE  20   6.997  10.824   3.404
  171   2HB   PHE  20          1HB       PHE  20   7.398  11.152   5.046
  172    HD1  PHE  20           HD1      PHE  20   8.381   9.748   6.691
  173    HD2  PHE  20           HD2      PHE  20   8.343   8.279   2.635
  174    HE1  PHE  20           HE1      PHE  20  10.428   8.802   6.939
  175    HE2  PHE  20           HE2      PHE  20  10.476   7.218   3.017
  176    HZ   PHE  20           HZ       PHE  20  11.611   7.641   5.274
  177    H    SER  21           H        SER  21   5.516   7.689   3.788
  178    HA   SER  21           HA       SER  21   3.823   8.319   1.482
  179   1HB   SER  21          2HB       SER  21   6.262   7.439   1.455
  180   2HB   SER  21          1HB       SER  21   5.392   5.848   1.393
  181    HG   SER  21           HG       SER  21   5.176   7.962  -0.431
  182    H    ARG  22           H        ARG  22   2.577   8.180   3.572
  183    HA   ARG  22           HA       ARG  22   1.075   5.869   4.131
  184   1HB   ARG  22          1HB       ARG  22  -0.456   6.983   5.261
  185   2HB   ARG  22          2HB       ARG  22   1.155   7.369   5.706
  186   1HG   ARG  22          1HG       ARG  22  -0.665   9.266   4.196
  187   2HG   ARG  22          2HG       ARG  22   0.274   9.391   5.802
  188   1HD   ARG  22          1HD       ARG  22   2.074  10.274   4.936
  189   2HD   ARG  22          2HD       ARG  22   2.030   9.881   3.376
  190    HE   ARG  22           HE       ARG  22   0.451  11.705   2.867
  191   1HH1  ARG  22          1HH2      ARG  22   0.610  11.326   6.460
  192   2HH1  ARG  22          2HH2      ARG  22  -0.222  13.043   6.549
  193   1HH2  ARG  22          1HH1      ARG  22  -0.058  13.512   3.069
  194   2HH2  ARG  22          2HH1      ARG  22  -0.798  14.061   4.638
  195    H    THR  23           H        THR  23   0.139   8.279   2.237
  196    HA   THR  23           HA       THR  23  -2.071   6.826   0.714
  197    HB   THR  23           HB       THR  23  -2.419   8.915  -0.565
  198    HG1  THR  23           HG1      THR  23   0.077   9.247   0.049
  199   1HG2  THR  23          1HG2      THR  23  -2.898  10.648   1.030
  200   2HG2  THR  23          2HG2      THR  23  -3.560   8.995   1.595
  201   3HG2  THR  23          3HG2      THR  23  -2.107   9.797   2.363
  202    H    GLY  24           H        GLY  24   1.302   6.793   0.296
  203   1HA   GLY  24          1HA       GLY  24   2.916   6.566  -1.737
  204   2HA   GLY  24          2HA       GLY  24   1.564   5.779  -2.406
  205    HA   PRO  25           HA       PRO  25   1.213   9.895  -4.559
  206   1HB   PRO  25          1HB       PRO  25   3.941  10.838  -5.701
  207   2HB   PRO  25          2HB       PRO  25   2.837  11.535  -4.549
  208   1HG   PRO  25          1HG       PRO  25   5.265  10.076  -3.950
  209   2HG   PRO  25          2HG       PRO  25   4.369  11.249  -3.080
  210   1HD   PRO  25          1HD       PRO  25   4.213   8.653  -2.069
  211   2HD   PRO  25          2HD       PRO  25   2.962   9.859  -1.803
  212    H    LEU  26           H        LEU  26   2.849   7.186  -5.556
  213    HA   LEU  26           HA       LEU  26   1.946   7.557  -8.432
  214   1HB   LEU  26          2HB       LEU  26   3.111   4.918  -7.283
  215   2HB   LEU  26          1HB       LEU  26   3.216   5.372  -8.857
  216    HG   LEU  26           HG       LEU  26   4.604   7.388  -7.071
  217   1HD1  LEU  26          1HD2      LEU  26   5.400   4.464  -6.508
  218   2HD1  LEU  26          2HD2      LEU  26   4.385   5.355  -5.495
  219   3HD1  LEU  26          3HD2      LEU  26   5.918   5.780  -5.637
  220   1HD2  LEU  26          1HD1      LEU  26   6.498   6.292  -8.530
  221   2HD2  LEU  26          2HD1      LEU  26   5.207   7.088  -9.554
  222   3HD2  LEU  26          3HD1      LEU  26   5.423   5.180  -9.370
  223    H    CYS  27           H        CYS  27   1.034   5.085  -5.880
  224    HA   CYS  27           HA       CYS  27  -1.503   4.771  -7.509
  225   1HB   CYS  27          1HB       CYS  27  -1.822   2.651  -6.640
  226   2HB   CYS  27          2HB       CYS  27  -0.292   2.730  -7.377
  227    HG   CYS  27           HG       CYS  27   0.847   3.319  -4.700
  228    HA   PRO  28           HA       PRO  28  -2.563   7.339  -3.861
  229   1HB   PRO  28          1HB       PRO  28  -5.121   8.291  -5.171
  230   2HB   PRO  28          2HB       PRO  28  -3.672   9.064  -4.621
  231   1HG   PRO  28          1HG       PRO  28  -4.030   8.968  -6.992
  232   2HG   PRO  28          2HG       PRO  28  -2.319   8.805  -6.326
  233   1HD   PRO  28          1HD       PRO  28  -3.963   6.307  -7.192
  234   2HD   PRO  28          2HD       PRO  28  -2.184   6.808  -7.693
  235    H    ALA  29           H        ALA  29  -3.195   5.593  -2.442
  236    HA   ALA  29           HA       ALA  29  -4.689   4.406  -1.013
  237   1HB   ALA  29          1HB       ALA  29  -7.159   5.911  -2.388
  238   2HB   ALA  29          2HB       ALA  29  -7.224   4.768  -0.964
  239   3HB   ALA  29          3HB       ALA  29  -6.409   6.374  -0.847
  240    H    CYS  30           H        CYS  30  -3.471   3.388  -2.564
  241    HA   CYS  30           HA       CYS  30  -4.920   0.811  -3.324
  242   1HB   CYS  30          1HB       CYS  30  -3.154   1.862  -4.934
  243   2HB   CYS  30          2HB       CYS  30  -1.881   1.359  -3.659
  244    HG   CYS  30           HG       CYS  30  -1.262  -0.170  -5.008
  245    H    MET  31           H        MET  31  -2.763   1.586  -0.835
  246    HA   MET  31           HA       MET  31  -2.137  -0.733   0.474
  247   1HB   MET  31          2HB       MET  31  -1.477   1.623   0.990
  248   2HB   MET  31          1HB       MET  31  -2.745   1.440   2.215
  249   1HG   MET  31          2HG       MET  31  -0.932  -0.896   2.433
  250   2HG   MET  31          1HG       MET  31  -0.012   0.472   1.809
  251   1HE   MET  31          1HE       MET  31  -3.237   0.633   4.339
  252   2HE   MET  31          2HE       MET  31  -2.349  -0.791   5.158
  253   3HE   MET  31          3HE       MET  31  -2.365   0.792   5.835
  254    H    LYS  32           H        LYS  32  -5.142   0.603   0.767
  255    HA   LYS  32           HA       LYS  32  -6.092  -1.341   2.860
  256   1HB   LYS  32          1HB       LYS  32  -8.125   0.074   2.558
  257   2HB   LYS  32          2HB       LYS  32  -6.865   1.268   2.353
  258   1HG   LYS  32          1HG       LYS  32  -7.314   0.553  -0.347
  259   2HG   LYS  32          2HG       LYS  32  -8.936   0.184   0.395
  260   1HD   LYS  32          2HD       LYS  32  -8.805   2.417   1.686
  261   2HD   LYS  32          1HD       LYS  32  -7.480   2.790   0.523
  262   1HE   LYS  32          1HE       LYS  32  -8.961   2.859  -1.315
  263   2HE   LYS  32          2HE       LYS  32 -10.243   1.950  -0.500
  264   1HZ   LYS  32          1HZ       LYS  32 -10.313   4.130   1.099
  265   2HZ   LYS  32          2HZ       LYS  32  -9.376   4.870  -0.144
  266   3HZ   LYS  32          3HZ       LYS  32 -10.708   4.188  -0.583
  267    H    ALA  33           H        ALA  33  -6.281  -1.602  -0.763
  268    HA   ALA  33           HA       ALA  33  -8.085  -3.864  -0.407
  269   1HB   ALA  33          1HB       ALA  33  -8.066  -2.510  -2.616
  270   2HB   ALA  33          2HB       ALA  33  -6.556  -3.364  -3.006
  271   3HB   ALA  33          3HB       ALA  33  -8.121  -4.301  -2.567
  272    H    THR  34           H        THR  34  -4.616  -3.476  -0.401
  273    HA   THR  34           HA       THR  34  -3.642  -5.863  -0.967
  274    HB   THR  34           HB       THR  34  -2.965  -4.371   1.533
  275    HG1  THR  34           HG1      THR  34  -2.869  -3.824  -1.236
  276   1HG2  THR  34          1HG2      THR  34  -1.502  -6.301   1.047
  277   2HG2  THR  34          2HG2      THR  34  -1.385  -6.025  -0.506
  278   3HG2  THR  34          3HG2      THR  34  -0.482  -4.937   0.579
  279    H    LEU  35           H        LEU  35  -5.625  -5.482   1.859
  280    HA   LEU  35           HA       LEU  35  -4.610  -7.652   3.762
  281   1HB   LEU  35          2HB       LEU  35  -6.766  -5.537   4.281
  282   2HB   LEU  35          1HB       LEU  35  -6.230  -7.006   5.245
  283    HG   LEU  35           HG       LEU  35  -3.716  -6.035   5.017
  284   1HD1  LEU  35          1HD1      LEU  35  -5.514  -3.404   4.606
  285   2HD1  LEU  35          2HD1      LEU  35  -4.170  -4.000   3.752
  286   3HD1  LEU  35          3HD1      LEU  35  -3.814  -3.503   5.313
  287   1HD2  LEU  35          1HD2      LEU  35  -4.595  -6.773   6.972
  288   2HD2  LEU  35          2HD2      LEU  35  -4.123  -5.049   7.378
  289   3HD2  LEU  35          3HD2      LEU  35  -5.838  -5.386   7.015
  290    H    GLN  36           H        GLN  36  -7.574  -6.807   1.237
  291    HA   GLN  36           HA       GLN  36  -8.899  -8.887   2.793
  292   1HB   GLN  36          1HB       GLN  36  -9.911  -6.954   0.477
  293   2HB   GLN  36          2HB       GLN  36 -10.437  -8.536   0.499
  294   1HG   GLN  36          1HG       GLN  36 -10.740  -7.960   3.297
  295   2HG   GLN  36          2HG       GLN  36 -10.757  -6.278   2.511
  296   1HE2  GLN  36          2HE2      GLN  36 -13.078  -7.325   3.403
  297   2HE2  GLN  36          1HE2      GLN  36 -14.300  -6.710   2.006
  298    HA   PRO  37           HA       PRO  37  -7.672 -11.656  -0.773
  299   1HB   PRO  37          1HB       PRO  37  -5.846 -10.323  -2.784
  300   2HB   PRO  37          2HB       PRO  37  -7.348 -11.294  -3.056
  301   1HG   PRO  37          1HG       PRO  37  -7.094  -8.239  -3.192
  302   2HG   PRO  37          2HG       PRO  37  -8.521  -9.409  -3.162
  303   1HD   PRO  37          1HD       PRO  37  -6.737  -8.007  -1.156
  304   2HD   PRO  37          2HD       PRO  37  -8.588  -7.889  -0.995
  305    H    GLU  38           H        GLU  38  -4.944  -9.744   0.563
  306    HA   GLU  38           HA       GLU  38  -3.224 -12.030   0.554
  307   1HB   GLU  38          1HB       GLU  38  -1.579 -11.076   1.262
  308   2HB   GLU  38          2HB       GLU  38  -2.351  -9.638   0.717
  309   1HG   GLU  38          1HG       GLU  38  -2.190  -8.457   2.692
  310   2HG   GLU  38          2HG       GLU  38  -3.110  -9.699   3.746
  Start of MODEL   27
    1   1H    TRP   1          1H        TRP   1  -3.931   0.994 -10.386
    2   2H    TRP   1          2H        TRP   1  -4.970  -0.318 -10.822
    3   3H    TRP   1          3H        TRP   1  -5.471   0.685  -9.725
    4    HA   TRP   1           HA       TRP   1  -2.945  -0.477  -8.839
    5   1HB   TRP   1          1HB       TRP   1  -4.062  -0.397  -6.674
    6   2HB   TRP   1          2HB       TRP   1  -4.299   1.249  -7.354
    7    HD1  TRP   1           HD1      TRP   1  -6.799   1.625  -8.624
    8    HE1  TRP   1           HE1      TRP   1  -9.223   1.006  -7.881
    9    HE3  TRP   1           HE3      TRP   1  -5.582  -2.491  -5.732
   10    HZ2  TRP   1           HZ2      TRP   1 -10.327  -1.212  -7.045
   11    HZ3  TRP   1           HZ3      TRP   1  -7.590  -3.845  -4.932
   12    HH2  TRP   1           HH2      TRP   1  -9.814  -3.455  -5.629
   13    H    LEU   2           H        LEU   2  -4.760  -2.149 -10.684
   14    HA   LEU   2           HA       LEU   2  -6.065  -4.255  -8.941
   15   1HB   LEU   2          1HB       LEU   2  -6.321  -3.253 -11.719
   16   2HB   LEU   2          2HB       LEU   2  -6.283  -4.899 -11.809
   17    HG   LEU   2           HG       LEU   2  -8.173  -4.941  -9.901
   18   1HD1  LEU   2          1HD1      LEU   2  -8.332  -2.179 -10.790
   19   2HD1  LEU   2          2HD1      LEU   2  -7.995  -2.581  -9.233
   20   3HD1  LEU   2          3HD1      LEU   2  -9.574  -2.891  -9.855
   21   1HD2  LEU   2          1HD2      LEU   2  -8.900  -3.857 -12.586
   22   2HD2  LEU   2          2HD2      LEU   2  -9.847  -4.914 -11.411
   23   3HD2  LEU   2          3HD2      LEU   2  -8.419  -5.742 -12.279
   24    H    ILE   3           H        ILE   3  -3.508  -4.030 -11.450
   25    HA   ILE   3           HA       ILE   3  -2.132  -6.383 -10.176
   26    HB   ILE   3           HB       ILE   3  -2.009  -5.757 -12.794
   27   1HG1  ILE   3          1HG1      ILE   3   0.617  -6.499 -12.723
   28   2HG1  ILE   3          2HG1      ILE   3   0.485  -6.721 -10.915
   29   1HG2  ILE   3          1HG2      ILE   3  -1.291  -3.413 -12.579
   30   2HG2  ILE   3          2HG2      ILE   3   0.017  -3.695 -11.500
   31   3HG2  ILE   3          3HG2      ILE   3   0.119  -3.860 -13.176
   32   1HD1  ILE   3          1HD1      ILE   3   0.097  -8.887 -12.149
   33   2HD1  ILE   3          2HD1      ILE   3  -1.703  -8.186 -11.919
   34   3HD1  ILE   3          3HD1      ILE   3  -0.883  -8.024 -13.423
   35    H    CYS   4           H        CYS   4  -2.154  -3.254  -9.241
   36    HA   CYS   4           HA       CYS   4   0.658  -3.328  -8.157
   37   1HB   CYS   4          2HB       CYS   4  -0.610  -0.953  -8.415
   38   2HB   CYS   4          1HB       CYS   4  -1.662  -1.451  -7.131
   39    HG   CYS   4           HG       CYS   4   1.313  -0.147  -7.515
   40    H    GLU   5           H        GLU   5  -2.263  -3.087  -6.392
   41    HA   GLU   5           HA       GLU   5  -1.763  -3.204  -3.616
   42   1HB   GLU   5          2HB       GLU   5  -3.644  -4.541  -2.922
   43   2HB   GLU   5          1HB       GLU   5  -4.063  -3.398  -3.820
   44   1HG   GLU   5          1HG       GLU   5  -4.675  -4.886  -5.788
   45   2HG   GLU   5          2HG       GLU   5  -3.513  -6.067  -5.080
   46    H    GLU   6           H        GLU   6  -2.194  -6.651  -4.627
   47    HA   GLU   6           HA       GLU   6  -1.121  -7.474  -2.481
   48   1HB   GLU   6          1HB       GLU   6  -2.432  -8.772  -4.219
   49   2HB   GLU   6          2HB       GLU   6  -1.169  -8.852  -5.408
   50   1HG   GLU   6          2HG       GLU   6  -1.463 -11.039  -4.279
   51   2HG   GLU   6          1HG       GLU   6   0.125 -10.322  -3.963
   52    HA   PRO   7           HA       PRO   7   3.454  -8.278  -3.516
   53   1HB   PRO   7          1HB       PRO   7   4.762  -7.207  -5.800
   54   2HB   PRO   7          2HB       PRO   7   3.823  -8.718  -5.697
   55   1HG   PRO   7          1HG       PRO   7   2.853  -6.098  -6.745
   56   2HG   PRO   7          2HG       PRO   7   2.605  -7.492  -7.492
   57   1HD   PRO   7          1HD       PRO   7   0.506  -6.961  -6.001
   58   2HD   PRO   7          2HD       PRO   7   1.127  -8.586  -5.974
   59    H    THR   8           H        THR   8   3.223  -5.009  -4.891
   60    HA   THR   8           HA       THR   8   5.249  -3.974  -3.485
   61    HB   THR   8           HB       THR   8   3.128  -2.043  -5.072
   62    HG1  THR   8           HG1      THR   8   5.185  -2.959  -6.316
   63   1HG2  THR   8          1HG2      THR   8   6.000  -1.475  -3.750
   64   2HG2  THR   8          2HG2      THR   8   5.900  -1.514  -5.477
   65   3HG2  THR   8          3HG2      THR   8   4.930  -0.374  -4.692
   66    H    CYS   9           H        CYS   9   2.071  -3.537  -2.625
   67    HA   CYS   9           HA       CYS   9   2.295  -1.287  -0.771
   68   1HB   CYS   9          1HB       CYS   9  -0.450  -2.384  -1.223
   69   2HB   CYS   9          2HB       CYS   9  -0.023  -0.934  -0.613
   70    HG   CYS   9           HG       CYS   9   0.975  -1.622  -3.545
   71    H    ARG  10           H        ARG  10   1.695  -4.637  -0.310
   72    HA   ARG  10           HA       ARG  10   1.669  -4.608   2.614
   73   1HB   ARG  10          1HB       ARG  10   1.427  -6.707   0.564
   74   2HB   ARG  10          2HB       ARG  10   3.225  -6.611   0.591
   75   1HG   ARG  10          2HG       ARG  10   2.599  -6.909   3.348
   76   2HG   ARG  10          1HG       ARG  10   1.268  -7.749   2.717
   77   1HD   ARG  10          1HD       ARG  10   3.462  -8.667   1.054
   78   2HD   ARG  10          2HD       ARG  10   4.228  -8.295   2.525
   79    HE   ARG  10           HE       ARG  10   2.168 -10.064   3.507
   80   1HH1  ARG  10          1HH2      ARG  10   5.147 -10.215   1.742
   81   2HH1  ARG  10          2HH2      ARG  10   5.505 -11.905   2.372
   82   1HH2  ARG  10          2HH1      ARG  10   2.274 -12.157   3.481
   83   2HH2  ARG  10          1HH1      ARG  10   4.040 -12.863   3.297
   84    H    ASN  11           H        ASN  11   4.551  -4.811   0.508
   85    HA   ASN  11           HA       ASN  11   6.210  -4.728   2.873
   86   1HB   ASN  11          1HB       ASN  11   6.874  -4.054  -0.110
   87   2HB   ASN  11          2HB       ASN  11   8.050  -3.994   1.234
   88   1HD2  ASN  11          2HD2      ASN  11   8.000  -6.106  -0.782
   89   2HD2  ASN  11          1HD2      ASN  11   7.820  -7.739  -0.045
   90    H    ARG  12           H        ARG  12   4.467  -2.338   1.110
   91    HA   ARG  12           HA       ARG  12   5.945  -0.066   2.423
   92   1HB   ARG  12          2HB       ARG  12   4.562   1.560   1.398
   93   2HB   ARG  12          1HB       ARG  12   4.839   0.432   0.172
   94   1HG   ARG  12          1HG       ARG  12   2.120  -0.020   0.919
   95   2HG   ARG  12          2HG       ARG  12   2.445   0.909   2.205
   96   1HD   ARG  12          1HD       ARG  12   1.130   2.161   0.528
   97   2HD   ARG  12          2HD       ARG  12   2.566   2.923   0.848
   98    HE   ARG  12           HE       ARG  12   1.939   1.909  -1.779
   99   1HH1  ARG  12          1HH1      ARG  12   4.166   4.024   0.004
  100   2HH1  ARG  12          2HH1      ARG  12   4.433   4.741  -1.583
  101   1HH2  ARG  12          1HH2      ARG  12   2.607   2.804  -3.514
  102   2HH2  ARG  12          2HH2      ARG  12   3.939   4.083  -3.288
  103    H    THR  13           H        THR  13   3.559  -2.380   3.417
  104    HA   THR  13           HA       THR  13   2.381  -0.479   5.144
  105    HB   THR  13           HB       THR  13   2.360  -3.516   5.489
  106    HG1  THR  13           HG1      THR  13  -0.164  -2.317   5.205
  107   1HG2  THR  13          1HG2      THR  13   0.683  -1.423   7.151
  108   2HG2  THR  13          2HG2      THR  13   0.271  -3.283   7.010
  109   3HG2  THR  13          3HG2      THR  13   1.763  -2.519   7.688
  110    H    ARG  14           H        ARG  14   4.962  -2.037   5.276
  111    HA   ARG  14           HA       ARG  14   5.745  -1.814   8.275
  112   1HB   ARG  14          1HB       ARG  14   7.703  -2.469   5.894
  113   2HB   ARG  14          2HB       ARG  14   8.165  -2.381   7.547
  114   1HG   ARG  14          2HG       ARG  14   8.269  -4.423   7.203
  115   2HG   ARG  14          1HG       ARG  14   6.647  -4.500   8.047
  116   1HD   ARG  14          1HD       ARG  14   5.733  -4.517   5.500
  117   2HD   ARG  14          2HD       ARG  14   7.256  -4.509   4.994
  118    HE   ARG  14           HE       ARG  14   7.464  -6.891   5.927
  119   1HH1  ARG  14          1HH1      ARG  14   4.460  -5.429   6.247
  120   2HH1  ARG  14          2HH1      ARG  14   3.567  -7.009   6.235
  121   1HH2  ARG  14          1HH2      ARG  14   6.551  -8.180   5.011
  122   2HH2  ARG  14          2HH2      ARG  14   4.882  -8.893   5.295
  123    H    HIS  15           H        HIS  15   5.497   0.288   5.800
  124    HA   HIS  15           HA       HIS  15   7.382   2.337   6.892
  125   1HB   HIS  15          2HB       HIS  15   5.454   2.808   4.545
  126   2HB   HIS  15          1HB       HIS  15   6.379   4.138   4.972
  127    HD1  HIS  15           HD1      HIS  15   6.676   3.999   2.199
  128    HD2  HIS  15           HD2      HIS  15   9.036   1.435   4.511
  129    HE1  HIS  15           HE1      HIS  15   8.380   2.546   0.829
  130    HE2  HIS  15           HE2      HIS  15   9.682   1.356   2.003
  131    H    LEU  16           H        LEU  16   4.343   1.132   7.752
  132    HA   LEU  16           HA       LEU  16   2.868   3.770   7.646
  133   1HB   LEU  16          1HB       LEU  16   1.597   1.718   7.401
  134   2HB   LEU  16          2HB       LEU  16   2.500   1.048   8.731
  135    HG   LEU  16           HG       LEU  16   0.556   3.337   9.147
  136   1HD1  LEU  16          1HD2      LEU  16  -0.609   1.886   7.576
  137   2HD1  LEU  16          2HD2      LEU  16  -0.785   0.632   8.883
  138   3HD1  LEU  16          3HD2      LEU  16  -1.510   2.149   8.979
  139   1HD2  LEU  16          1HD1      LEU  16   1.628   2.021  11.213
  140   2HD2  LEU  16          2HD1      LEU  16  -0.035   2.522  11.376
  141   3HD2  LEU  16          3HD1      LEU  16   0.380   0.830  10.867
  142    HA   PRO  17           HA       PRO  17   4.230   3.900  12.294
  143   1HB   PRO  17          1HB       PRO  17   6.941   2.774  12.043
  144   2HB   PRO  17          2HB       PRO  17   6.139   3.049  13.573
  145   1HG   PRO  17          1HG       PRO  17   5.640   0.450  12.538
  146   2HG   PRO  17          2HG       PRO  17   4.427   1.450  13.050
  147   1HD   PRO  17          1HD       PRO  17   5.514   1.070   9.941
  148   2HD   PRO  17          2HD       PRO  17   3.714   0.820  10.540
  149    H    LEU  18           H        LEU  18   6.483   4.074   9.554
  150    HA   LEU  18           HA       LEU  18   8.063   6.370  10.592
  151   1HB   LEU  18          2HB       LEU  18   9.252   7.010   8.651
  152   2HB   LEU  18          1HB       LEU  18   9.458   5.471   9.237
  153    HG   LEU  18           HG       LEU  18   8.371   4.245   7.654
  154   1HD1  LEU  18          1HD1      LEU  18   8.032   6.981   6.463
  155   2HD1  LEU  18          2HD1      LEU  18   8.098   5.733   5.222
  156   3HD1  LEU  18          3HD1      LEU  18   6.801   5.688   6.354
  157   1HD2  LEU  18          1HD2      LEU  18  10.494   5.825   6.162
  158   2HD2  LEU  18          2HD2      LEU  18  10.299   4.233   6.214
  159   3HD2  LEU  18          3HD2      LEU  18  10.909   4.727   7.561
  160    H    GLN  19           H        GLN  19   5.464   6.139   8.267
  161    HA   GLN  19           HA       GLN  19   3.966   7.707   7.278
  162   1HB   GLN  19          1HB       GLN  19   4.098   7.964  10.010
  163   2HB   GLN  19          2HB       GLN  19   4.806   9.682   9.638
  164   1HG   GLN  19          2HG       GLN  19   2.587  10.123   8.299
  165   2HG   GLN  19          1HG       GLN  19   1.956   8.478   8.825
  166   1HE2  GLN  19          1HE2      GLN  19   3.165  11.640   9.574
  167   2HE2  GLN  19          2HE2      GLN  19   2.009  11.807  10.938
  168    H    PHE  20           H        PHE  20   6.108   8.206   5.975
  169    HA   PHE  20           HA       PHE  20   5.223  10.920   4.793
  170   1HB   PHE  20          2HB       PHE  20   7.254  10.937   3.375
  171   2HB   PHE  20          1HB       PHE  20   7.160  11.189   5.070
  172    HD1  PHE  20           HD1      PHE  20   8.360  10.008   6.577
  173    HD2  PHE  20           HD2      PHE  20   8.171   8.416   2.664
  174    HE1  PHE  20           HE1      PHE  20  10.467   8.794   6.980
  175    HE2  PHE  20           HE2      PHE  20  10.133   6.984   3.027
  176    HZ   PHE  20           HZ       PHE  20  11.375   7.323   5.465
  177    H    SER  21           H        SER  21   5.057   7.428   3.955
  178    HA   SER  21           HA       SER  21   3.780   8.111   1.396
  179   1HB   SER  21          2HB       SER  21   6.387   7.022   1.344
  180   2HB   SER  21          1HB       SER  21   5.481   5.567   1.530
  181    HG   SER  21           HG       SER  21   5.621   6.513  -0.772
  182    H    ARG  22           H        ARG  22   2.379   8.085   3.518
  183    HA   ARG  22           HA       ARG  22   1.178   5.670   4.232
  184   1HB   ARG  22          1HB       ARG  22  -0.246   7.049   5.222
  185   2HB   ARG  22          2HB       ARG  22   1.370   7.465   5.640
  186   1HG   ARG  22          1HG       ARG  22  -0.868   9.055   3.875
  187   2HG   ARG  22          2HG       ARG  22  -0.423   9.392   5.445
  188   1HD   ARG  22          1HD       ARG  22   2.030  10.289   5.020
  189   2HD   ARG  22          2HD       ARG  22   1.749   9.566   3.488
  190    HE   ARG  22           HE       ARG  22   0.592  11.476   2.714
  191   1HH1  ARG  22          1HH2      ARG  22   1.026  11.874   6.325
  192   2HH1  ARG  22          2HH2      ARG  22   0.091  13.481   6.111
  193   1HH2  ARG  22          1HH1      ARG  22  -0.829  13.372   3.003
  194   2HH2  ARG  22          2HH1      ARG  22  -0.591  14.169   4.645
  195    H    THR  23           H        THR  23   0.734   8.102   2.045
  196    HA   THR  23           HA       THR  23  -1.682   6.634   0.742
  197    HB   THR  23           HB       THR  23  -2.490   8.407  -0.482
  198    HG1  THR  23           HG1      THR  23   0.115   9.201  -0.169
  199   1HG2  THR  23          1HG2      THR  23  -3.080  10.218   1.093
  200   2HG2  THR  23          2HG2      THR  23  -2.938   8.641   2.078
  201   3HG2  THR  23          3HG2      THR  23  -1.833   9.850   2.133
  202    H    GLY  24           H        GLY  24   1.477   7.157   0.249
  203   1HA   GLY  24          1HA       GLY  24   3.120   6.789  -1.776
  204   2HA   GLY  24          2HA       GLY  24   1.876   5.681  -2.382
  205    HA   PRO  25           HA       PRO  25   1.477  10.224  -4.650
  206   1HB   PRO  25          1HB       PRO  25   4.347  10.389  -5.639
  207   2HB   PRO  25          2HB       PRO  25   3.275  11.636  -4.745
  208   1HG   PRO  25          1HG       PRO  25   5.438  10.081  -3.730
  209   2HG   PRO  25          2HG       PRO  25   4.422  11.202  -2.743
  210   1HD   PRO  25          1HD       PRO  25   4.133   8.232  -2.907
  211   2HD   PRO  25          2HD       PRO  25   3.440   9.358  -1.663
  212    H    LEU  26           H        LEU  26   2.741   7.113  -5.455
  213    HA   LEU  26           HA       LEU  26   1.984   7.324  -8.331
  214   1HB   LEU  26          2HB       LEU  26   3.118   4.785  -6.977
  215   2HB   LEU  26          1HB       LEU  26   3.374   5.322  -8.718
  216    HG   LEU  26           HG       LEU  26   4.944   7.405  -6.935
  217   1HD1  LEU  26          1HD2      LEU  26   5.583   4.434  -6.113
  218   2HD1  LEU  26          2HD2      LEU  26   4.740   5.743  -5.258
  219   3HD1  LEU  26          3HD2      LEU  26   6.318   6.181  -5.846
  220   1HD2  LEU  26          1HD1      LEU  26   6.430   7.023  -8.160
  221   2HD2  LEU  26          2HD1      LEU  26   5.348   6.804  -9.385
  222   3HD2  LEU  26          3HD1      LEU  26   6.223   5.427  -8.726
  223    H    CYS  27           H        CYS  27   0.914   5.029  -5.970
  224    HA   CYS  27           HA       CYS  27  -1.555   4.674  -7.642
  225   1HB   CYS  27          1HB       CYS  27  -1.646   2.569  -6.872
  226   2HB   CYS  27          2HB       CYS  27  -0.118   2.826  -7.300
  227    HG   CYS  27           HG       CYS  27   0.707   3.418  -4.523
  228    HA   PRO  28           HA       PRO  28  -2.563   7.362  -3.702
  229   1HB   PRO  28          1HB       PRO  28  -5.108   8.216  -5.306
  230   2HB   PRO  28          2HB       PRO  28  -4.075   9.316  -4.532
  231   1HG   PRO  28          1HG       PRO  28  -4.131   9.021  -7.080
  232   2HG   PRO  28          2HG       PRO  28  -2.416   8.877  -6.545
  233   1HD   PRO  28          1HD       PRO  28  -4.313   6.282  -7.072
  234   2HD   PRO  28          2HD       PRO  28  -2.923   6.536  -7.739
  235    H    ALA  29           H        ALA  29  -3.175   5.738  -2.309
  236    HA   ALA  29           HA       ALA  29  -4.830   4.438  -0.829
  237   1HB   ALA  29          1HB       ALA  29  -6.982   6.133  -1.892
  238   2HB   ALA  29          2HB       ALA  29  -7.278   4.761  -0.858
  239   3HB   ALA  29          3HB       ALA  29  -6.148   6.316  -0.552
  240    H    CYS  30           H        CYS  30  -3.410   3.383  -2.457
  241    HA   CYS  30           HA       CYS  30  -5.123   0.897  -3.265
  242   1HB   CYS  30          1HB       CYS  30  -3.072   1.716  -5.043
  243   2HB   CYS  30          2HB       CYS  30  -1.924   1.460  -3.750
  244    HG   CYS  30           HG       CYS  30  -1.530  -0.335  -5.510
  245    H    MET  31           H        MET  31  -2.949   1.740  -0.673
  246    HA   MET  31           HA       MET  31  -1.886  -0.797   0.208
  247   1HB   MET  31          2HB       MET  31  -1.195   1.572   0.873
  248   2HB   MET  31          1HB       MET  31  -2.418   1.627   2.046
  249   1HG   MET  31          2HG       MET  31  -1.040  -0.901   2.645
  250   2HG   MET  31          1HG       MET  31   0.120   0.329   1.953
  251   1HE   MET  31          1HE       MET  31  -2.860   1.458   4.764
  252   2HE   MET  31          2HE       MET  31  -3.093  -0.235   4.324
  253   3HE   MET  31          3HE       MET  31  -2.163   0.244   5.856
  254    H    LYS  32           H        LYS  32  -5.256   0.365   0.395
  255    HA   LYS  32           HA       LYS  32  -5.941  -1.206   2.940
  256   1HB   LYS  32          1HB       LYS  32  -8.276  -0.216   2.585
  257   2HB   LYS  32          2HB       LYS  32  -7.132   1.149   2.580
  258   1HG   LYS  32          1HG       LYS  32  -7.090   0.654  -0.211
  259   2HG   LYS  32          2HG       LYS  32  -8.717   0.006   0.210
  260   1HD   LYS  32          2HD       LYS  32  -9.131   2.160   1.690
  261   2HD   LYS  32          1HD       LYS  32  -7.618   2.897   1.004
  262   1HE   LYS  32          1HE       LYS  32  -9.282   2.185  -1.322
  263   2HE   LYS  32          2HE       LYS  32 -10.424   1.752  -0.031
  264   1HZ   LYS  32          1HZ       LYS  32 -10.823   4.157   0.220
  265   2HZ   LYS  32          2HZ       LYS  32  -9.197   4.351   0.636
  266   3HZ   LYS  32          3HZ       LYS  32  -9.596   4.194  -0.950
  267    H    ALA  33           H        ALA  33  -6.941  -1.435  -0.510
  268    HA   ALA  33           HA       ALA  33  -8.228  -4.144  -0.370
  269   1HB   ALA  33          1HB       ALA  33  -7.886  -2.667  -2.580
  270   2HB   ALA  33          2HB       ALA  33  -6.390  -3.343  -2.678
  271   3HB   ALA  33          3HB       ALA  33  -7.770  -4.458  -2.561
  272    H    THR  34           H        THR  34  -4.550  -3.528  -0.263
  273    HA   THR  34           HA       THR  34  -3.620  -5.955  -0.914
  274    HB   THR  34           HB       THR  34  -2.678  -4.311   1.477
  275    HG1  THR  34           HG1      THR  34  -2.080  -3.849  -1.185
  276   1HG2  THR  34          1HG2      THR  34  -1.609  -6.476   1.074
  277   2HG2  THR  34          2HG2      THR  34  -0.625  -5.481  -0.194
  278   3HG2  THR  34          3HG2      THR  34  -0.807  -4.923   1.585
  279    H    LEU  35           H        LEU  35  -5.427  -5.253   1.902
  280    HA   LEU  35           HA       LEU  35  -4.530  -7.410   3.692
  281   1HB   LEU  35          2HB       LEU  35  -6.517  -5.502   4.362
  282   2HB   LEU  35          1HB       LEU  35  -6.068  -7.052   5.170
  283    HG   LEU  35           HG       LEU  35  -3.761  -6.258   5.243
  284   1HD1  LEU  35          1HD1      LEU  35  -5.267  -3.471   4.864
  285   2HD1  LEU  35          2HD1      LEU  35  -3.927  -4.053   3.973
  286   3HD1  LEU  35          3HD1      LEU  35  -3.682  -3.528   5.726
  287   1HD2  LEU  35          1HD2      LEU  35  -5.025  -6.597   7.196
  288   2HD2  LEU  35          2HD2      LEU  35  -4.180  -4.874   7.373
  289   3HD2  LEU  35          3HD2      LEU  35  -6.063  -5.240   6.864
  290    H    GLN  36           H        GLN  36  -7.633  -6.696   1.583
  291    HA   GLN  36           HA       GLN  36  -8.999  -9.289   2.729
  292   1HB   GLN  36          1HB       GLN  36  -9.847  -7.105   0.688
  293   2HB   GLN  36          2HB       GLN  36 -10.638  -8.810   0.592
  294   1HG   GLN  36          1HG       GLN  36 -11.165  -8.617   3.076
  295   2HG   GLN  36          2HG       GLN  36 -10.532  -7.022   3.020
  296   1HE2  GLN  36          2HE2      GLN  36 -13.044  -6.463   3.428
  297   2HE2  GLN  36          1HE2      GLN  36 -14.397  -6.476   2.130
  298    HA   PRO  37           HA       PRO  37  -7.577 -11.560  -1.480
  299   1HB   PRO  37          1HB       PRO  37  -5.652  -9.222  -2.226
  300   2HB   PRO  37          2HB       PRO  37  -6.377 -10.501  -3.289
  301   1HG   PRO  37          1HG       PRO  37  -7.669  -8.248  -3.237
  302   2HG   PRO  37          2HG       PRO  37  -8.614  -9.839  -2.550
  303   1HD   PRO  37          1HD       PRO  37  -6.786  -7.870  -1.167
  304   2HD   PRO  37          2HD       PRO  37  -8.490  -7.759  -0.924
  305    H    GLU  38           H        GLU  38  -4.920  -9.760   0.654
  306    HA   GLU  38           HA       GLU  38  -3.464 -12.204   0.647
  307   1HB   GLU  38          1HB       GLU  38  -1.518 -10.931   1.543
  308   2HB   GLU  38          2HB       GLU  38  -2.587  -9.450   0.837
  309   1HG   GLU  38          1HG       GLU  38  -1.996  -8.619   2.964
  310   2HG   GLU  38          2HG       GLU  38  -3.302  -9.799   3.576
  Start of MODEL   28
    1   1H    TRP   1          1H        TRP   1  -5.001   1.709  -9.767
    2   2H    TRP   1          2H        TRP   1  -4.303   0.606 -10.628
    3   3H    TRP   1          3H        TRP   1  -5.886   0.391 -10.123
    4    HA   TRP   1           HA       TRP   1  -3.280   0.088  -8.503
    5   1HB   TRP   1          1HB       TRP   1  -4.582   0.075  -6.434
    6   2HB   TRP   1          2HB       TRP   1  -4.902   1.626  -7.088
    7    HD1  TRP   1           HD1      TRP   1  -7.385   2.136  -7.916
    8    HE1  TRP   1           HE1      TRP   1  -9.326   1.810  -6.342
    9    HE3  TRP   1           HE3      TRP   1  -5.950  -2.329  -6.259
   10    HZ2  TRP   1           HZ2      TRP   1 -10.412  -0.450  -5.069
   11    HZ3  TRP   1           HZ3      TRP   1  -7.863  -3.851  -4.978
   12    HH2  TRP   1           HH2      TRP   1  -9.773  -2.565  -3.999
   13    H    LEU   2           H        LEU   2  -4.747  -1.709 -10.317
   14    HA   LEU   2           HA       LEU   2  -6.076  -3.814  -8.553
   15   1HB   LEU   2          1HB       LEU   2  -5.944  -3.916 -11.619
   16   2HB   LEU   2          2HB       LEU   2  -6.937  -4.857 -10.657
   17    HG   LEU   2           HG       LEU   2  -8.478  -3.287  -9.816
   18   1HD1  LEU   2          1HD1      LEU   2  -7.215  -0.811 -11.632
   19   2HD1  LEU   2          2HD1      LEU   2  -7.194  -0.770 -10.079
   20   3HD1  LEU   2          3HD1      LEU   2  -8.837  -0.771 -10.840
   21   1HD2  LEU   2          1HD2      LEU   2  -8.431  -3.592 -12.998
   22   2HD2  LEU   2          2HD2      LEU   2  -9.716  -2.909 -12.144
   23   3HD2  LEU   2          3HD2      LEU   2  -9.159  -4.500 -11.600
   24    H    ILE   3           H        ILE   3  -3.732  -3.621 -11.034
   25    HA   ILE   3           HA       ILE   3  -2.000  -6.135 -10.182
   26    HB   ILE   3           HB       ILE   3  -2.849  -5.560 -12.538
   27   1HG1  ILE   3          1HG1      ILE   3  -0.380  -6.089 -13.314
   28   2HG1  ILE   3          2HG1      ILE   3  -0.084  -6.280 -11.627
   29   1HG2  ILE   3          1HG2      ILE   3  -2.331  -3.229 -12.808
   30   2HG2  ILE   3          2HG2      ILE   3  -0.678  -3.412 -12.769
   31   3HG2  ILE   3          3HG2      ILE   3  -1.647  -4.159 -14.114
   32   1HD1  ILE   3          1HD1      ILE   3  -0.377  -8.375 -12.162
   33   2HD1  ILE   3          2HD1      ILE   3  -2.126  -8.324 -11.694
   34   3HD1  ILE   3          3HD1      ILE   3  -1.440  -7.992 -13.394
   35    H    CYS   4           H        CYS   4  -2.394  -3.289  -9.174
   36    HA   CYS   4           HA       CYS   4   0.519  -2.897  -8.209
   37   1HB   CYS   4          2HB       CYS   4  -0.746  -0.588  -8.302
   38   2HB   CYS   4          1HB       CYS   4  -1.578  -1.149  -6.959
   39    HG   CYS   4           HG       CYS   4   1.441  -0.030  -7.233
   40    H    GLU   5           H        GLU   5  -2.287  -2.842  -6.726
   41    HA   GLU   5           HA       GLU   5  -2.086  -3.271  -4.194
   42   1HB   GLU   5          2HB       GLU   5  -3.892  -4.547  -3.572
   43   2HB   GLU   5          1HB       GLU   5  -4.196  -3.587  -4.962
   44   1HG   GLU   5          1HG       GLU   5  -4.852  -5.307  -6.415
   45   2HG   GLU   5          2HG       GLU   5  -3.654  -6.369  -5.641
   46    H    GLU   6           H        GLU   6  -1.529  -6.775  -5.549
   47    HA   GLU   6           HA       GLU   6  -0.967  -7.537  -2.775
   48   1HB   GLU   6          1HB       GLU   6  -1.911  -8.859  -4.531
   49   2HB   GLU   6          2HB       GLU   6  -0.305  -8.780  -5.409
   50   1HG   GLU   6          2HG       GLU   6  -0.287 -11.050  -4.553
   51   2HG   GLU   6          1HG       GLU   6   0.742 -10.184  -3.311
   52    HA   PRO   7           HA       PRO   7   3.713  -8.250  -2.877
   53   1HB   PRO   7          1HB       PRO   7   5.280  -8.028  -5.390
   54   2HB   PRO   7          2HB       PRO   7   3.924  -9.202  -4.927
   55   1HG   PRO   7          1HG       PRO   7   3.642  -6.790  -6.697
   56   2HG   PRO   7          2HG       PRO   7   3.201  -8.385  -7.189
   57   1HD   PRO   7          1HD       PRO   7   1.348  -6.724  -5.854
   58   2HD   PRO   7          2HD       PRO   7   1.340  -8.446  -5.858
   59    H    THR   8           H        THR   8   2.947  -5.200  -4.637
   60    HA   THR   8           HA       THR   8   5.445  -3.782  -3.518
   61    HB   THR   8           HB       THR   8   2.857  -2.698  -5.155
   62    HG1  THR   8           HG1      THR   8   5.688  -2.738  -5.661
   63   1HG2  THR   8          1HG2      THR   8   5.383  -0.944  -5.324
   64   2HG2  THR   8          2HG2      THR   8   3.867  -0.363  -4.640
   65   3HG2  THR   8          3HG2      THR   8   5.109  -0.973  -3.471
   66    H    CYS   9           H        CYS   9   2.220  -3.277  -3.290
   67    HA   CYS   9           HA       CYS   9   2.391  -1.578  -1.039
   68   1HB   CYS   9          1HB       CYS   9  -0.249  -2.373  -2.383
   69   2HB   CYS   9          2HB       CYS   9  -0.251  -1.825  -0.634
   70    HG   CYS   9           HG       CYS   9   0.230   0.664  -1.650
   71    H    ARG  10           H        ARG  10   1.845  -4.768  -0.704
   72    HA   ARG  10           HA       ARG  10   1.481  -4.981   2.355
   73   1HB   ARG  10          1HB       ARG  10   1.329  -6.914   0.638
   74   2HB   ARG  10          2HB       ARG  10   3.009  -6.906   0.705
   75   1HG   ARG  10          2HG       ARG  10   2.052  -7.127   3.402
   76   2HG   ARG  10          1HG       ARG  10   1.069  -8.282   2.416
   77   1HD   ARG  10          1HD       ARG  10   3.460  -9.350   1.681
   78   2HD   ARG  10          2HD       ARG  10   4.015  -8.308   3.057
   79    HE   ARG  10           HE       ARG  10   2.041  -9.499   4.400
   80   1HH1  ARG  10          1HH2      ARG  10   3.850 -11.299   1.868
   81   2HH1  ARG  10          2HH2      ARG  10   4.074 -12.608   3.090
   82   1HH2  ARG  10          2HH1      ARG  10   3.026 -10.953   5.600
   83   2HH2  ARG  10          1HH1      ARG  10   3.978 -12.381   5.092
   84    H    ASN  11           H        ASN  11   4.667  -5.333   0.529
   85    HA   ASN  11           HA       ASN  11   6.521  -4.911   2.746
   86   1HB   ASN  11          1HB       ASN  11   6.779  -4.255  -0.216
   87   2HB   ASN  11          2HB       ASN  11   8.107  -3.910   1.032
   88   1HD2  ASN  11          2HD2      ASN  11   8.189  -5.734  -1.247
   89   2HD2  ASN  11          1HD2      ASN  11   8.079  -7.379  -0.601
   90    H    ARG  12           H        ARG  12   4.307  -2.524   0.958
   91    HA   ARG  12           HA       ARG  12   5.578  -0.182   1.947
   92   1HB   ARG  12          2HB       ARG  12   4.994   0.816   0.222
   93   2HB   ARG  12          1HB       ARG  12   3.834  -0.525  -0.064
   94   1HG   ARG  12          1HG       ARG  12   2.041   0.532   0.298
   95   2HG   ARG  12          2HG       ARG  12   2.264   1.337   1.621
   96   1HD   ARG  12          1HD       ARG  12   2.056   3.123   0.236
   97   2HD   ARG  12          2HD       ARG  12   3.824   3.195   0.051
   98    HE   ARG  12           HE       ARG  12   1.519   2.554  -1.644
   99   1HH1  ARG  12          1HH1      ARG  12   4.984   1.565  -1.173
  100   2HH1  ARG  12          2HH1      ARG  12   5.567   1.406  -2.805
  101   1HH2  ARG  12          1HH2      ARG  12   2.223   1.821  -3.731
  102   2HH2  ARG  12          2HH2      ARG  12   3.847   1.727  -4.349
  103    H    THR  13           H        THR  13   3.254  -2.376   3.103
  104    HA   THR  13           HA       THR  13   1.939  -0.536   4.951
  105    HB   THR  13           HB       THR  13   2.155  -3.550   5.202
  106    HG1  THR  13           HG1      THR  13   0.057  -3.472   4.311
  107   1HG2  THR  13          1HG2      THR  13   0.647  -3.360   7.109
  108   2HG2  THR  13          2HG2      THR  13   0.922  -1.740   7.214
  109   3HG2  THR  13          3HG2      THR  13  -0.412  -2.254   6.211
  110    H    ARG  14           H        ARG  14   4.629  -2.093   5.141
  111    HA   ARG  14           HA       ARG  14   5.530  -1.465   7.957
  112   1HB   ARG  14          1HB       ARG  14   7.499  -1.590   5.492
  113   2HB   ARG  14          2HB       ARG  14   7.893  -1.485   7.350
  114   1HG   ARG  14          2HG       ARG  14   8.358  -3.706   7.112
  115   2HG   ARG  14          1HG       ARG  14   6.670  -3.582   7.773
  116   1HD   ARG  14          1HD       ARG  14   5.984  -4.050   5.209
  117   2HD   ARG  14          2HD       ARG  14   7.676  -4.392   4.799
  118    HE   ARG  14           HE       ARG  14   7.037  -6.512   5.976
  119   1HH1  ARG  14          1HH1      ARG  14   4.359  -4.408   6.652
  120   2HH1  ARG  14          2HH1      ARG  14   3.505  -5.718   7.558
  121   1HH2  ARG  14          1HH2      ARG  14   6.216  -8.087   6.937
  122   2HH2  ARG  14          2HH2      ARG  14   4.476  -7.602   7.300
  123    H    HIS  15           H        HIS  15   4.936   0.542   5.364
  124    HA   HIS  15           HA       HIS  15   6.785   2.657   6.316
  125   1HB   HIS  15          2HB       HIS  15   4.553   3.305   4.096
  126   2HB   HIS  15          1HB       HIS  15   5.982   4.223   4.665
  127    HD1  HIS  15           HD1      HIS  15   5.648   3.403   1.710
  128    HD2  HIS  15           HD2      HIS  15   7.970   1.539   4.608
  129    HE1  HIS  15           HE1      HIS  15   8.022   2.528   0.613
  130    HE2  HIS  15           HE2      HIS  15   8.711   0.457   2.248
  131    H    LEU  16           H        LEU  16   3.909   1.462   7.704
  132    HA   LEU  16           HA       LEU  16   2.266   3.947   7.905
  133   1HB   LEU  16          1HB       LEU  16   1.418   1.487   7.854
  134   2HB   LEU  16          2HB       LEU  16   1.917   1.237   9.429
  135    HG   LEU  16           HG       LEU  16  -0.213   3.516   8.329
  136   1HD1  LEU  16          1HD2      LEU  16  -0.749   1.210   6.998
  137   2HD1  LEU  16          2HD2      LEU  16  -1.286   0.708   8.664
  138   3HD1  LEU  16          3HD2      LEU  16  -1.865   2.223   8.085
  139   1HD2  LEU  16          1HD1      LEU  16  -0.046   3.421  10.910
  140   2HD2  LEU  16          2HD1      LEU  16  -1.425   2.729  10.305
  141   3HD2  LEU  16          3HD1      LEU  16  -0.199   1.627  10.967
  142    HA   PRO  17           HA       PRO  17   4.128   4.042  12.664
  143   1HB   PRO  17          1HB       PRO  17   6.824   3.167  12.083
  144   2HB   PRO  17          2HB       PRO  17   5.826   2.747  13.473
  145   1HG   PRO  17          1HG       PRO  17   6.471   0.993  11.372
  146   2HG   PRO  17          2HG       PRO  17   4.865   0.871  12.355
  147   1HD   PRO  17          1HD       PRO  17   5.709   2.017   9.469
  148   2HD   PRO  17          2HD       PRO  17   4.211   1.160  10.089
  149    H    LEU  18           H        LEU  18   5.950   4.497   9.716
  150    HA   LEU  18           HA       LEU  18   7.674   6.937  10.772
  151   1HB   LEU  18          2HB       LEU  18   9.038   6.992   8.722
  152   2HB   LEU  18          1HB       LEU  18   9.182   5.665   9.692
  153    HG   LEU  18           HG       LEU  18   7.405   4.594   8.059
  154   1HD1  LEU  18          1HD1      LEU  18   7.835   7.325   6.597
  155   2HD1  LEU  18          2HD1      LEU  18   7.714   5.810   5.609
  156   3HD1  LEU  18          3HD1      LEU  18   6.387   6.244   6.618
  157   1HD2  LEU  18          1HD2      LEU  18   8.722   3.528   6.507
  158   2HD2  LEU  18          2HD2      LEU  18   9.836   3.952   7.815
  159   3HD2  LEU  18          3HD2      LEU  18   9.819   5.008   6.315
  160    H    GLN  19           H        GLN  19   5.072   6.629   8.335
  161    HA   GLN  19           HA       GLN  19   3.477   8.179   7.659
  162   1HB   GLN  19          1HB       GLN  19   3.135   8.623   9.736
  163   2HB   GLN  19          2HB       GLN  19   4.322   9.794  10.271
  164   1HG   GLN  19          2HG       GLN  19   3.180  11.647   8.766
  165   2HG   GLN  19          1HG       GLN  19   2.076  10.226   8.258
  166   1HE2  GLN  19          1HE2      GLN  19   3.269  10.962  11.626
  167   2HE2  GLN  19          2HE2      GLN  19   1.272  11.496  12.019
  168    H    PHE  20           H        PHE  20   5.751   8.007   5.911
  169    HA   PHE  20           HA       PHE  20   5.075  10.539   4.702
  170   1HB   PHE  20          2HB       PHE  20   7.198  11.045   3.951
  171   2HB   PHE  20          1HB       PHE  20   7.036  10.946   5.690
  172    HD1  PHE  20           HD1      PHE  20   9.332  10.763   6.483
  173    HD2  PHE  20           HD2      PHE  20   7.969   8.330   3.275
  174    HE1  PHE  20           HE1      PHE  20  11.827  10.042   6.135
  175    HE2  PHE  20           HE2      PHE  20  10.385   7.727   2.714
  176    HZ   PHE  20           HZ       PHE  20  12.239   8.600   4.263
  177    H    SER  21           H        SER  21   5.530   7.092   4.125
  178    HA   SER  21           HA       SER  21   4.078   7.787   1.315
  179   1HB   SER  21          2HB       SER  21   6.456   7.035   0.837
  180   2HB   SER  21          1HB       SER  21   6.599   5.804   2.074
  181    HG   SER  21           HG       SER  21   6.117   4.384   0.812
  182    H    ARG  22           H        ARG  22   2.566   7.800   3.001
  183    HA   ARG  22           HA       ARG  22   1.458   5.246   4.211
  184   1HB   ARG  22          1HB       ARG  22  -0.189   6.476   5.663
  185   2HB   ARG  22          2HB       ARG  22   1.669   6.908   5.901
  186   1HG   ARG  22          1HG       ARG  22  -0.724   8.662   4.856
  187   2HG   ARG  22          2HG       ARG  22   0.493   8.592   6.105
  188   1HD   ARG  22          1HD       ARG  22   2.041   9.901   5.166
  189   2HD   ARG  22          2HD       ARG  22   2.023   9.186   3.636
  190    HE   ARG  22           HE       ARG  22  -0.591  10.424   3.814
  191   1HH1  ARG  22          1HH2      ARG  22   2.460  12.099   4.638
  192   2HH1  ARG  22          2HH2      ARG  22   1.916  13.448   3.446
  193   1HH2  ARG  22          1HH1      ARG  22  -0.953  11.965   2.500
  194   2HH2  ARG  22          2HH1      ARG  22   0.000  13.571   2.700
  195    H    THR  23           H        THR  23   0.352   7.603   2.322
  196    HA   THR  23           HA       THR  23  -1.626   5.861   0.924
  197    HB   THR  23           HB       THR  23  -1.763   7.939  -0.935
  198    HG1  THR  23           HG1      THR  23  -0.987   9.937   0.559
  199   1HG2  THR  23          1HG2      THR  23  -3.221   9.448   0.249
  200   2HG2  THR  23          2HG2      THR  23  -3.727   7.806   0.838
  201   3HG2  THR  23          3HG2      THR  23  -2.645   8.962   1.727
  202    H    GLY  24           H        GLY  24   1.217   7.786  -0.043
  203   1HA   GLY  24          1HA       GLY  24   3.028   6.837  -1.427
  204   2HA   GLY  24          2HA       GLY  24   1.896   5.681  -2.163
  205    HA   PRO  25           HA       PRO  25   1.609  10.101  -4.534
  206   1HB   PRO  25          1HB       PRO  25   4.335  11.018  -5.037
  207   2HB   PRO  25          2HB       PRO  25   2.949  11.376  -3.885
  208   1HG   PRO  25          1HG       PRO  25   5.556   9.820  -3.589
  209   2HG   PRO  25          2HG       PRO  25   4.912  10.747  -2.501
  210   1HD   PRO  25          1HD       PRO  25   4.414   8.231  -2.118
  211   2HD   PRO  25          2HD       PRO  25   3.347   9.543  -1.511
  212    H    LEU  26           H        LEU  26   3.745   7.530  -5.354
  213    HA   LEU  26           HA       LEU  26   3.156   7.338  -8.108
  214   1HB   LEU  26          2HB       LEU  26   3.584   4.526  -7.126
  215   2HB   LEU  26          1HB       LEU  26   3.393   5.080  -8.644
  216    HG   LEU  26           HG       LEU  26   5.445   6.702  -7.702
  217   1HD1  LEU  26          1HD2      LEU  26   5.631   4.076  -6.115
  218   2HD1  LEU  26          2HD2      LEU  26   5.131   5.618  -5.457
  219   3HD1  LEU  26          3HD2      LEU  26   6.738   5.339  -5.973
  220   1HD2  LEU  26          1HD1      LEU  26   7.136   5.084  -8.787
  221   2HD2  LEU  26          2HD1      LEU  26   5.811   5.821  -9.580
  222   3HD2  LEU  26          3HD1      LEU  26   5.654   4.056  -9.119
  223    H    CYS  27           H        CYS  27   1.466   5.212  -5.910
  224    HA   CYS  27           HA       CYS  27  -1.119   5.031  -7.743
  225   1HB   CYS  27          1HB       CYS  27  -2.020   3.456  -6.426
  226   2HB   CYS  27          2HB       CYS  27  -0.328   2.829  -7.154
  227    HG   CYS  27           HG       CYS  27   0.820   1.996  -5.356
  228    HA   PRO  28           HA       PRO  28  -2.233   7.941  -3.954
  229   1HB   PRO  28          1HB       PRO  28  -4.846   8.460  -4.995
  230   2HB   PRO  28          2HB       PRO  28  -3.479   9.513  -5.092
  231   1HG   PRO  28          1HG       PRO  28  -4.513   8.256  -7.439
  232   2HG   PRO  28          2HG       PRO  28  -3.040   8.965  -7.372
  233   1HD   PRO  28          1HD       PRO  28  -3.439   5.997  -7.268
  234   2HD   PRO  28          2HD       PRO  28  -2.379   6.826  -7.949
  235    H    ALA  29           H        ALA  29  -2.619   5.871  -2.798
  236    HA   ALA  29           HA       ALA  29  -3.823   5.163  -1.020
  237   1HB   ALA  29          1HB       ALA  29  -6.797   5.723  -2.017
  238   2HB   ALA  29          2HB       ALA  29  -6.104   5.303  -0.605
  239   3HB   ALA  29          3HB       ALA  29  -5.611   6.961  -1.038
  240    H    CYS  30           H        CYS  30  -2.867   3.422  -1.865
  241    HA   CYS  30           HA       CYS  30  -4.706   1.451  -3.089
  242   1HB   CYS  30          1HB       CYS  30  -2.995   1.998  -4.654
  243   2HB   CYS  30          2HB       CYS  30  -1.682   1.498  -3.740
  244    HG   CYS  30           HG       CYS  30  -1.706  -0.954  -3.871
  245    H    MET  31           H        MET  31  -3.510   1.736  -0.164
  246    HA   MET  31           HA       MET  31  -2.327  -0.915   0.237
  247   1HB   MET  31          2HB       MET  31  -1.339   1.375   1.093
  248   2HB   MET  31          1HB       MET  31  -2.879   1.267   2.353
  249   1HG   MET  31          2HG       MET  31  -2.132  -0.635   3.425
  250   2HG   MET  31          1HG       MET  31  -0.903  -1.181   2.244
  251   1HE   MET  31          1HE       MET  31  -0.635   3.093   4.618
  252   2HE   MET  31          2HE       MET  31  -1.716   2.479   3.610
  253   3HE   MET  31          3HE       MET  31  -1.786   1.748   5.176
  254    H    LYS  32           H        LYS  32  -5.737  -0.307   1.013
  255    HA   LYS  32           HA       LYS  32  -5.864  -1.692   3.625
  256   1HB   LYS  32          1HB       LYS  32  -8.391  -1.076   3.304
  257   2HB   LYS  32          2HB       LYS  32  -7.267   0.282   3.538
  258   1HG   LYS  32          1HG       LYS  32  -7.417   0.266   0.690
  259   2HG   LYS  32          2HG       LYS  32  -8.974  -0.352   1.122
  260   1HD   LYS  32          2HD       LYS  32  -9.717   1.812   2.183
  261   2HD   LYS  32          1HD       LYS  32  -8.073   2.635   2.124
  262   1HE   LYS  32          1HE       LYS  32  -7.959   2.736  -0.181
  263   2HE   LYS  32          2HE       LYS  32  -9.127   1.479  -0.597
  264   1HZ   LYS  32          1HZ       LYS  32 -10.834   2.863  -0.307
  265   2HZ   LYS  32          2HZ       LYS  32 -10.195   3.762   0.839
  266   3HZ   LYS  32          3HZ       LYS  32  -9.522   4.089  -0.590
  267    H    ALA  33           H        ALA  33  -6.491  -2.051   0.273
  268    HA   ALA  33           HA       ALA  33  -8.366  -4.448  -0.104
  269   1HB   ALA  33          1HB       ALA  33  -8.277  -2.239  -1.553
  270   2HB   ALA  33          2HB       ALA  33  -6.491  -2.600  -2.071
  271   3HB   ALA  33          3HB       ALA  33  -7.800  -3.595  -2.619
  272    H    THR  34           H        THR  34  -4.854  -3.905  -0.785
  273    HA   THR  34           HA       THR  34  -3.922  -6.410  -1.298
  274    HB   THR  34           HB       THR  34  -3.071  -4.564   0.957
  275    HG1  THR  34           HG1      THR  34  -2.442  -3.078  -0.639
  276   1HG2  THR  34          1HG2      THR  34  -1.663  -6.556   0.545
  277   2HG2  THR  34          2HG2      THR  34  -1.467  -5.940  -1.020
  278   3HG2  THR  34          3HG2      THR  34  -0.658  -5.155   0.375
  279    H    LEU  35           H        LEU  35  -4.999  -5.205   1.884
  280    HA   LEU  35           HA       LEU  35  -4.613  -7.644   3.789
  281   1HB   LEU  35          2HB       LEU  35  -6.177  -5.139   4.075
  282   2HB   LEU  35          1HB       LEU  35  -6.495  -6.717   5.128
  283    HG   LEU  35           HG       LEU  35  -3.854  -6.498   5.613
  284   1HD1  LEU  35          1HD1      LEU  35  -4.189  -3.515   5.034
  285   2HD1  LEU  35          2HD1      LEU  35  -3.275  -4.642   3.940
  286   3HD1  LEU  35          3HD1      LEU  35  -2.695  -4.327   5.527
  287   1HD2  LEU  35          1HD2      LEU  35  -5.740  -6.167   7.138
  288   2HD2  LEU  35          2HD2      LEU  35  -4.123  -5.440   7.461
  289   3HD2  LEU  35          3HD2      LEU  35  -5.530  -4.386   6.801
  290    H    GLN  36           H        GLN  36  -7.185  -7.204   1.218
  291    HA   GLN  36           HA       GLN  36  -8.629  -9.622   2.412
  292   1HB   GLN  36          1HB       GLN  36  -9.691  -7.564   0.942
  293   2HB   GLN  36          2HB       GLN  36 -10.132  -8.966   0.012
  294   1HG   GLN  36          1HG       GLN  36 -11.281  -9.771   2.146
  295   2HG   GLN  36          2HG       GLN  36 -10.582  -8.461   3.185
  296   1HE2  GLN  36          2HE2      GLN  36 -11.698  -6.235   3.043
  297   2HE2  GLN  36          1HE2      GLN  36 -13.275  -6.465   2.408
  298    HA   PRO  37           HA       PRO  37  -7.078 -11.835  -1.274
  299   1HB   PRO  37          1HB       PRO  37  -4.965 -10.709  -3.143
  300   2HB   PRO  37          2HB       PRO  37  -6.694 -11.368  -3.341
  301   1HG   PRO  37          1HG       PRO  37  -5.814  -8.649  -2.668
  302   2HG   PRO  37          2HG       PRO  37  -7.024  -9.051  -3.772
  303   1HD   PRO  37          1HD       PRO  37  -7.761  -8.175  -1.050
  304   2HD   PRO  37          2HD       PRO  37  -8.559  -9.531  -1.786
  305    H    GLU  38           H        GLU  38  -4.690 -10.253   1.108
  306    HA   GLU  38           HA       GLU  38  -3.073 -12.828   1.050
  307   1HB   GLU  38          1HB       GLU  38  -1.231 -11.655   1.988
  308   2HB   GLU  38          2HB       GLU  38  -2.106 -10.720   0.829
  309   1HG   GLU  38          1HG       GLU  38  -0.906  -9.781   2.291
  310   2HG   GLU  38          2HG       GLU  38  -2.509  -9.057   2.839
  Start of MODEL   29
    1   1H    TRP   1          1H        TRP   1  -2.787  -2.018 -12.341
    2   2H    TRP   1          2H        TRP   1  -4.041  -3.039 -12.159
    3    HA   TRP   1           HA       TRP   1  -2.189  -2.136 -10.106
    4   1HB   TRP   1          1HB       TRP   1  -3.840  -0.670  -9.281
    5   2HB   TRP   1          2HB       TRP   1  -4.108  -0.546 -11.009
    6    HD1  TRP   1           HD1      TRP   1  -6.454  -1.785 -11.981
    7    HE1  TRP   1           HE1      TRP   1  -8.761  -2.439 -10.822
    8    HE3  TRP   1           HE3      TRP   1  -4.802  -1.495  -7.162
    9    HZ2  TRP   1           HZ2      TRP   1  -9.542  -2.784  -8.113
   10    HZ3  TRP   1           HZ3      TRP   1  -6.364  -2.010  -5.325
   11    HH2  TRP   1           HH2      TRP   1  -8.696  -2.660  -5.784
   12    H    LEU   2           H        LEU   2  -3.754  -4.697 -10.684
   13    HA   LEU   2           HA       LEU   2  -4.134  -5.756  -7.866
   14   1HB   LEU   2          1HB       LEU   2  -4.189  -7.100 -10.638
   15   2HB   LEU   2          2HB       LEU   2  -3.978  -8.088  -9.222
   16    HG   LEU   2           HG       LEU   2  -6.142  -7.353  -8.236
   17   1HD1  LEU   2          1HD1      LEU   2  -6.585  -5.767 -10.865
   18   2HD1  LEU   2          2HD1      LEU   2  -6.488  -5.088  -9.223
   19   3HD1  LEU   2          3HD1      LEU   2  -7.843  -6.130  -9.658
   20   1HD2  LEU   2          1HD2      LEU   2  -6.358  -8.394 -11.147
   21   2HD2  LEU   2          2HD2      LEU   2  -7.582  -8.598  -9.871
   22   3HD2  LEU   2          3HD2      LEU   2  -6.003  -9.390  -9.714
   23    H    ILE   3           H        ILE   3  -1.676  -6.031 -10.234
   24    HA   ILE   3           HA       ILE   3   0.349  -7.140  -8.398
   25    HB   ILE   3           HB       ILE   3   0.527  -7.138 -10.978
   26   1HG1  ILE   3          1HG1      ILE   3   3.093  -6.680 -11.020
   27   2HG1  ILE   3          2HG1      ILE   3   2.970  -6.298  -9.315
   28   1HG2  ILE   3          1HG2      ILE   3   0.042  -4.687 -11.388
   29   2HG2  ILE   3          2HG2      ILE   3   1.605  -4.261 -10.657
   30   3HG2  ILE   3          3HG2      ILE   3   1.549  -5.221 -12.153
   31   1HD1  ILE   3          1HD1      ILE   3   1.992  -8.687  -8.940
   32   2HD1  ILE   3          2HD1      ILE   3   2.216  -8.995 -10.676
   33   3HD1  ILE   3          3HD1      ILE   3   3.626  -8.690  -9.639
   34    H    CYS   4           H        CYS   4  -0.901  -4.253  -8.495
   35    HA   CYS   4           HA       CYS   4   1.184  -2.732  -6.744
   36   1HB   CYS   4          2HB       CYS   4  -0.984  -1.399  -8.346
   37   2HB   CYS   4          1HB       CYS   4  -1.370  -1.436  -6.822
   38    HG   CYS   4           HG       CYS   4   0.524  -0.613  -5.380
   39    H    GLU   5           H        GLU   5  -2.230  -3.471  -6.356
   40    HA   GLU   5           HA       GLU   5  -2.098  -3.020  -3.556
   41   1HB   GLU   5          2HB       GLU   5  -4.138  -4.208  -3.135
   42   2HB   GLU   5          1HB       GLU   5  -4.241  -3.046  -4.421
   43   1HG   GLU   5          1HG       GLU   5  -4.596  -4.650  -6.110
   44   2HG   GLU   5          2HG       GLU   5  -3.842  -5.984  -5.241
   45    HE2  GLU   5           HE2      GLU   5  -6.667  -6.508  -3.210
   46    H    GLU   6           H        GLU   6  -1.828  -6.267  -4.853
   47    HA   GLU   6           HA       GLU   6  -1.237  -7.344  -2.103
   48   1HB   GLU   6          1HB       GLU   6  -2.629  -8.647  -3.651
   49   2HB   GLU   6          2HB       GLU   6  -1.310  -8.847  -4.765
   50   1HG   GLU   6          2HG       GLU   6  -1.477 -10.899  -3.490
   51   2HG   GLU   6          1HG       GLU   6  -0.015 -10.143  -2.898
   52    HE2  GLU   6           HE2      GLU   6  -0.121  -9.133  -0.977
   53    HA   PRO   7           HA       PRO   7   3.252  -7.995  -2.958
   54   1HB   PRO   7          1HB       PRO   7   4.585  -7.514  -5.418
   55   2HB   PRO   7          2HB       PRO   7   4.039  -9.057  -4.748
   56   1HG   PRO   7          1HG       PRO   7   2.733  -7.352  -6.848
   57   2HG   PRO   7          2HG       PRO   7   2.696  -9.107  -6.689
   58   1HD   PRO   7          1HD       PRO   7   0.510  -7.481  -5.980
   59   2HD   PRO   7          2HD       PRO   7   0.848  -9.073  -5.238
   60    H    THR   8           H        THR   8   2.847  -5.133  -5.096
   61    HA   THR   8           HA       THR   8   4.909  -3.764  -3.470
   62    HB   THR   8           HB       THR   8   3.246  -2.562  -5.761
   63    HG1  THR   8           HG1      THR   8   5.820  -3.731  -5.994
   64   1HG2  THR   8          1HG2      THR   8   4.629  -0.769  -4.658
   65   2HG2  THR   8          2HG2      THR   8   6.104  -1.744  -4.853
   66   3HG2  THR   8          3HG2      THR   8   5.252  -1.107  -6.284
   67    H    CYS   9           H        CYS   9   1.779  -3.374  -3.458
   68    HA   CYS   9           HA       CYS   9   1.864  -0.964  -1.729
   69   1HB   CYS   9          1HB       CYS   9  -0.159  -2.245  -3.102
   70   2HB   CYS   9          2HB       CYS   9  -0.892  -2.234  -1.709
   71    HG   CYS   9           HG       CYS   9  -0.653   0.554  -1.592
   72    H    ARG  10           H        ARG  10   1.987  -4.243  -1.229
   73    HA   ARG  10           HA       ARG  10   1.445  -4.406   1.802
   74   1HB   ARG  10          1HB       ARG  10   1.073  -6.281   0.264
   75   2HB   ARG  10          2HB       ARG  10   2.786  -6.418  -0.099
   76   1HG   ARG  10          2HG       ARG  10   3.109  -6.853   2.502
   77   2HG   ARG  10          1HG       ARG  10   1.350  -6.979   2.595
   78   1HD   ARG  10          1HD       ARG  10   1.482  -8.754   0.708
   79   2HD   ARG  10          2HD       ARG  10   3.235  -8.697   0.821
   80   1HH1  ARG  10          1HH2      ARG  10   4.582  -8.907   2.408
   81   2HH1  ARG  10          2HH2      ARG  10   5.121  -9.986   3.799
   82   1HH2  ARG  10          2HH1      ARG  10   1.908 -10.957   4.276
   83   2HH2  ARG  10          1HH1      ARG  10   3.674 -11.145   4.799
   84    H    ASN  11           H        ASN  11   3.979  -4.069  -0.458
   85    HA   ASN  11           HA       ASN  11   6.200  -3.632   1.628
   86   1HB   ASN  11          1HB       ASN  11   6.238  -3.316  -1.473
   87   2HB   ASN  11          2HB       ASN  11   7.536  -2.747  -0.455
   88   1HD2  ASN  11          2HD2      ASN  11   5.945  -5.726  -1.490
   89   2HD2  ASN  11          1HD2      ASN  11   7.397  -6.734  -0.983
   90    H    ARG  12           H        ARG  12   3.762  -1.732   0.211
   91    HA   ARG  12           HA       ARG  12   5.085   0.701   1.448
   92   1HB   ARG  12          2HB       ARG  12   3.792   2.201   0.446
   93   2HB   ARG  12          1HB       ARG  12   3.633   0.979  -0.778
   94   1HG   ARG  12          1HG       ARG  12   1.302   0.450   0.034
   95   2HG   ARG  12          2HG       ARG  12   1.527   1.467   1.442
   96   1HD   ARG  12          1HD       ARG  12   0.206   2.725  -0.146
   97   2HD   ARG  12          2HD       ARG  12   1.744   3.525  -0.004
   98   1HH1  ARG  12          1HH1      ARG  12   3.125   4.065  -1.222
   99   2HH1  ARG  12          2HH1      ARG  12   3.772   4.324  -2.933
  100   1HH2  ARG  12          1HH2      ARG  12   1.520   2.085  -4.111
  101   2HH2  ARG  12          2HH2      ARG  12   2.920   3.231  -4.505
  102    H    THR  13           H        THR  13   2.924  -1.676   2.424
  103    HA   THR  13           HA       THR  13   2.728  -0.316   5.072
  104    HB   THR  13           HB       THR  13   2.349  -3.360   4.587
  105    HG1  THR  13           HG1      THR  13   0.964  -1.801   3.349
  106   1HG2  THR  13          1HG2      THR  13   1.084  -1.571   6.772
  107   2HG2  THR  13          2HG2      THR  13   0.772  -3.305   6.533
  108   3HG2  THR  13          3HG2      THR  13   2.386  -2.760   7.040
  109    H    ARG  14           H        ARG  14   5.138  -1.610   3.596
  110    HA   ARG  14           HA       ARG  14   6.772  -1.889   6.155
  111   1HB   ARG  14          1HB       ARG  14   7.764  -2.544   3.288
  112   2HB   ARG  14          2HB       ARG  14   8.843  -2.217   4.613
  113   1HG   ARG  14          2HG       ARG  14   8.786  -4.551   4.701
  114   2HG   ARG  14          1HG       ARG  14   7.667  -4.108   5.969
  115   1HD   ARG  14          1HD       ARG  14   5.798  -4.385   4.068
  116   2HD   ARG  14          2HD       ARG  14   7.055  -5.208   3.152
  117   1HH1  ARG  14          1HH1      ARG  14   4.268  -5.383   4.424
  118   2HH1  ARG  14          2HH1      ARG  14   3.383  -6.744   5.303
  119   1HH2  ARG  14          1HH2      ARG  14   6.342  -8.094   6.237
  120   2HH2  ARG  14          2HH2      ARG  14   4.490  -8.190   6.299
  121    H    HIS  15           H        HIS  15   5.648   0.415   4.204
  122    HA   HIS  15           HA       HIS  15   7.745   2.480   4.949
  123   1HB   HIS  15          2HB       HIS  15   5.055   3.216   3.801
  124   2HB   HIS  15          1HB       HIS  15   6.439   4.219   4.000
  125    HD2  HIS  15           HD2      HIS  15   8.204   1.582   2.234
  126    HE1  HIS  15           HE1      HIS  15   6.358   3.729  -0.833
  127    HE2  HIS  15           HE2      HIS  15   8.203   1.975  -0.405
  128    H    LEU  16           H        LEU  16   5.235   0.787   6.446
  129    HA   LEU  16           HA       LEU  16   3.851   3.150   7.740
  130   1HB   LEU  16          1HB       LEU  16   2.365   1.376   6.667
  131   2HB   LEU  16          2HB       LEU  16   2.887   0.209   7.857
  132    HG   LEU  16           HG       LEU  16   1.637   2.893   8.730
  133   1HD1  LEU  16          1HD2      LEU  16   0.063   1.866   7.060
  134   2HD1  LEU  16          2HD2      LEU  16   0.074   0.331   7.961
  135   3HD1  LEU  16          3HD2      LEU  16  -0.611   1.801   8.696
  136   1HD2  LEU  16          1HD1      LEU  16   0.854   1.543  10.705
  137   2HD2  LEU  16          2HD1      LEU  16   1.639   0.082  10.053
  138   3HD2  LEU  16          3HD1      LEU  16   2.610   1.475  10.580
  139    HA   PRO  17           HA       PRO  17   6.397   1.111  11.381
  140   1HB   PRO  17          1HB       PRO  17   8.609   0.244   9.426
  141   2HB   PRO  17          2HB       PRO  17   8.399  -0.236  11.129
  142   1HG   PRO  17          1HG       PRO  17   7.440  -1.907   9.219
  143   2HG   PRO  17          2HG       PRO  17   6.376  -1.533  10.596
  144   1HD   PRO  17          1HD       PRO  17   6.319  -0.360   7.794
  145   2HD   PRO  17          2HD       PRO  17   4.927  -0.851   8.838
  146    H    LEU  18           H        LEU  18   7.314   2.901   8.465
  147    HA   LEU  18           HA       LEU  18   8.785   4.956  10.239
  148   1HB   LEU  18          2HB       LEU  18   9.522   6.122   8.199
  149   2HB   LEU  18          1HB       LEU  18  10.216   4.555   8.595
  150    HG   LEU  18           HG       LEU  18   8.725   3.583   6.679
  151   1HD1  LEU  18          1HD1      LEU  18   8.826   6.574   5.821
  152   2HD1  LEU  18          2HD1      LEU  18   8.372   5.231   4.764
  153   3HD1  LEU  18          3HD1      LEU  18   7.345   5.661   6.134
  154   1HD2  LEU  18          1HD2      LEU  18  11.148   5.392   6.064
  155   2HD2  LEU  18          2HD2      LEU  18  10.534   4.081   5.026
  156   3HD2  LEU  18          3HD2      LEU  18  11.208   3.701   6.617
  157    H    GLN  19           H        GLN  19   6.276   4.780   7.927
  158    HA   GLN  19           HA       GLN  19   4.274   5.982   7.550
  159   1HB   GLN  19          1HB       GLN  19   4.017   5.072   9.851
  160   2HB   GLN  19          2HB       GLN  19   4.427   6.637  10.536
  161   1HG   GLN  19          2HG       GLN  19   2.308   7.613   9.563
  162   2HG   GLN  19          1HG       GLN  19   2.059   6.182   8.581
  163   1HE2  GLN  19          1HE2      GLN  19   2.456   6.925  12.053
  164   2HE2  GLN  19          2HE2      GLN  19   1.092   5.777  12.512
  165    H    PHE  20           H        PHE  20   6.764   7.681   7.208
  166    HA   PHE  20           HA       PHE  20   5.367  10.367   6.975
  167   1HB   PHE  20          2HB       PHE  20   7.295  11.370   6.055
  168   2HB   PHE  20          1HB       PHE  20   7.538  10.682   7.648
  169    HD1  PHE  20           HD1      PHE  20   9.277   9.123   8.043
  170    HD2  PHE  20           HD2      PHE  20   8.211  10.071   4.012
  171    HE1  PHE  20           HE1      PHE  20  11.390   8.067   7.243
  172    HE2  PHE  20           HE2      PHE  20  10.306   8.989   3.197
  173    HZ   PHE  20           HZ       PHE  20  11.893   8.000   4.820
  174    H    SER  21           H        SER  21   6.131   7.751   4.831
  175    HA   SER  21           HA       SER  21   4.531   9.079   2.535
  176   1HB   SER  21          2HB       SER  21   6.664   7.970   1.897
  177   2HB   SER  21          1HB       SER  21   6.123   6.437   2.597
  178    HG   SER  21           HG       SER  21   4.390   6.428   1.137
  179    H    ARG  22           H        ARG  22   3.127   8.698   4.841
  180    HA   ARG  22           HA       ARG  22   1.228   6.452   4.600
  181   1HB   ARG  22          1HB       ARG  22   0.030   7.453   6.392
  182   2HB   ARG  22          2HB       ARG  22   1.719   7.685   6.713
  183   1HG   ARG  22          1HG       ARG  22  -0.271   9.868   5.818
  184   2HG   ARG  22          2HG       ARG  22   0.362   9.612   7.424
  185   1HD   ARG  22          1HD       ARG  22   2.751  10.133   6.493
  186   2HD   ARG  22          2HD       ARG  22   1.999  10.584   4.988
  187   1HH1  ARG  22          1HH2      ARG  22   2.828  10.786   8.340
  188   2HH1  ARG  22          2HH2      ARG  22   2.816  12.243   9.470
  189   1HH2  ARG  22          1HH1      ARG  22   0.928  13.980   7.257
  190   2HH2  ARG  22          2HH1      ARG  22   1.791  13.973   8.893
  191    H    THR  23           H        THR  23   1.183   9.416   3.671
  192    HA   THR  23           HA       THR  23  -1.360   9.530   1.951
  193    HB   THR  23           HB       THR  23  -0.543  11.744   1.022
  194    HG1  THR  23           HG1      THR  23   1.211  12.097   3.076
  195   1HG2  THR  23          1HG2      THR  23  -0.915  13.118   3.055
  196   2HG2  THR  23          2HG2      THR  23  -2.070  11.768   3.025
  197   3HG2  THR  23          3HG2      THR  23  -0.662  11.707   4.112
  198    H    GLY  24           H        GLY  24   2.048   9.537   1.178
  199   1HA   GLY  24          1HA       GLY  24   3.286   8.658  -0.771
  200   2HA   GLY  24          2HA       GLY  24   2.106   7.389  -0.607
  201    HA   PRO  25           HA       PRO  25   0.360  10.106  -4.252
  202   1HB   PRO  25          1HB       PRO  25   2.813  11.698  -5.111
  203   2HB   PRO  25          2HB       PRO  25   1.109  12.181  -5.110
  204   1HG   PRO  25          1HG       PRO  25   2.726  13.089  -3.132
  205   2HG   PRO  25          2HG       PRO  25   1.119  12.469  -2.676
  206   1HD   PRO  25          1HD       PRO  25   3.805  10.963  -2.544
  207   2HD   PRO  25          2HD       PRO  25   2.548  11.141  -1.286
  208    H    LEU  26           H        LEU  26   1.005   7.744  -4.554
  209    HA   LEU  26           HA       LEU  26   2.224   7.328  -7.360
  210   1HB   LEU  26          2HB       LEU  26   2.177   5.451  -4.907
  211   2HB   LEU  26          1HB       LEU  26   2.563   4.926  -6.524
  212    HG   LEU  26           HG       LEU  26   4.446   6.806  -6.505
  213   1HD1  LEU  26          1HD2      LEU  26   4.026   6.363  -3.460
  214   2HD1  LEU  26          2HD2      LEU  26   3.937   7.902  -4.330
  215   3HD1  LEU  26          3HD2      LEU  26   5.486   7.078  -4.192
  216   1HD2  LEU  26          1HD1      LEU  26   6.065   5.133  -5.612
  217   2HD2  LEU  26          2HD1      LEU  26   4.868   4.334  -6.639
  218   3HD2  LEU  26          3HD1      LEU  26   4.753   4.193  -4.867
  219    H    CYS  27           H        CYS  27  -0.425   5.977  -5.306
  220    HA   CYS  27           HA       CYS  27  -1.947   5.330  -7.855
  221   1HB   CYS  27          1HB       CYS  27  -2.480   3.004  -6.908
  222   2HB   CYS  27          2HB       CYS  27  -0.828   3.262  -7.464
  223    HG   CYS  27           HG       CYS  27  -1.585   3.843  -4.264
  224    HA   PRO  28           HA       PRO  28  -5.278   7.148  -5.435
  225   1HB   PRO  28          1HB       PRO  28  -7.491   6.607  -6.967
  226   2HB   PRO  28          2HB       PRO  28  -6.163   7.651  -7.504
  227   1HG   PRO  28          1HG       PRO  28  -6.566   4.670  -8.144
  228   2HG   PRO  28          2HG       PRO  28  -6.286   5.991  -9.306
  229   1HD   PRO  28          1HD       PRO  28  -4.215   4.405  -8.408
  230   2HD   PRO  28          2HD       PRO  28  -3.954   6.154  -8.708
  231    H    ALA  29           H        ALA  29  -5.119   5.996  -3.541
  232    HA   ALA  29           HA       ALA  29  -5.971   4.854  -1.643
  233   1HB   ALA  29          1HB       ALA  29  -8.630   4.681  -3.165
  234   2HB   ALA  29          2HB       ALA  29  -8.383   4.552  -1.410
  235   3HB   ALA  29          3HB       ALA  29  -8.075   6.094  -2.228
  236    H    CYS  30           H        CYS  30  -4.457   3.365  -3.228
  237    HA   CYS  30           HA       CYS  30  -5.586   0.612  -3.600
  238   1HB   CYS  30          1HB       CYS  30  -4.196   2.045  -5.235
  239   2HB   CYS  30          2HB       CYS  30  -2.832   1.936  -4.103
  240    HG   CYS  30           HG       CYS  30  -2.482   0.508  -6.247
  241    H    MET  31           H        MET  31  -3.987   1.852  -0.911
  242    HA   MET  31           HA       MET  31  -2.627  -0.732  -0.052
  243   1HB   MET  31          2HB       MET  31  -1.612   1.463   0.485
  244   2HB   MET  31          1HB       MET  31  -3.014   1.955   1.418
  245   1HG   MET  31          2HG       MET  31  -1.336  -0.540   2.174
  246   2HG   MET  31          1HG       MET  31  -0.928   1.096   2.718
  247   1HE   MET  31          1HE       MET  31  -2.475  -0.404   5.962
  248   2HE   MET  31          2HE       MET  31  -1.691  -1.430   4.729
  249   3HE   MET  31          3HE       MET  31  -1.000   0.173   5.129
  250    H    LYS  32           H        LYS  32  -5.695   0.952   0.685
  251    HA   LYS  32           HA       LYS  32  -6.636  -1.036   2.657
  252   1HB   LYS  32          1HB       LYS  32  -8.749  -0.017   2.552
  253   2HB   LYS  32          2HB       LYS  32  -7.563   1.266   2.483
  254   1HG   LYS  32          1HG       LYS  32  -7.998   1.064  -0.224
  255   2HG   LYS  32          2HG       LYS  32  -9.462   0.244   0.293
  256   1HD   LYS  32          2HD       LYS  32  -9.877   2.377   1.828
  257   2HD   LYS  32          1HD       LYS  32  -8.534   3.110   0.923
  258   1HE   LYS  32          1HE       LYS  32  -9.809   2.698  -1.257
  259   2HE   LYS  32          2HE       LYS  32 -11.141   1.979  -0.340
  260   1HZ   LYS  32          1HZ       LYS  32 -11.373   4.101   0.874
  261   2HZ   LYS  32          2HZ       LYS  32 -11.579   4.321  -0.734
  262    H    ALA  33           H        ALA  33  -6.799  -1.068  -0.814
  263    HA   ALA  33           HA       ALA  33  -8.498  -3.469  -1.195
  264   1HB   ALA  33          1HB       ALA  33  -7.877  -1.829  -2.989
  265   2HB   ALA  33          2HB       ALA  33  -6.164  -2.353  -2.873
  266   3HB   ALA  33          3HB       ALA  33  -7.424  -3.493  -3.423
  267    H    THR  34           H        THR  34  -4.963  -3.157  -0.674
  268    HA   THR  34           HA       THR  34  -4.167  -5.965  -0.678
  269    HB   THR  34           HB       THR  34  -3.107  -3.842   1.291
  270    HG1  THR  34           HG1      THR  34  -1.763  -4.184  -1.066
  271   1HG2  THR  34          1HG2      THR  34  -1.624  -6.156  -0.135
  272   2HG2  THR  34          2HG2      THR  34  -0.908  -4.958   0.970
  273   3HG2  THR  34          3HG2      THR  34  -2.087  -6.133   1.582
  274    H    LEU  35           H        LEU  35  -5.933  -4.129   1.690
  275    HA   LEU  35           HA       LEU  35  -6.018  -6.435   3.660
  276   1HB   LEU  35          2HB       LEU  35  -6.926  -3.542   4.015
  277   2HB   LEU  35          1HB       LEU  35  -7.427  -4.822   5.091
  278    HG   LEU  35           HG       LEU  35  -4.601  -5.301   4.674
  279   1HD1  LEU  35          1HD1      LEU  35  -5.092  -2.312   5.363
  280   2HD1  LEU  35          2HD1      LEU  35  -4.361  -2.939   3.867
  281   3HD1  LEU  35          3HD1      LEU  35  -3.523  -3.156   5.413
  282   1HD2  LEU  35          1HD2      LEU  35  -5.838  -5.795   6.813
  283   2HD2  LEU  35          2HD2      LEU  35  -4.412  -4.786   7.159
  284   3HD2  LEU  35          3HD2      LEU  35  -6.032  -4.058   7.140
  285    H    GLN  36           H        GLN  36  -8.032  -5.404   1.101
  286    HA   GLN  36           HA       GLN  36 -10.301  -7.098   1.849
  287   1HB   GLN  36          1HB       GLN  36  -9.291  -6.424  -0.966
  288   2HB   GLN  36          2HB       GLN  36 -10.720  -7.377  -0.625
  289   1HG   GLN  36          1HG       GLN  36 -11.751  -5.388   0.604
  290   2HG   GLN  36          2HG       GLN  36 -10.305  -4.451   0.296
  291   1HE2  GLN  36          2HE2      GLN  36 -13.212  -5.660  -1.157
  292   2HE2  GLN  36          1HE2      GLN  36 -12.955  -4.726  -2.729
  293    HA   PRO  37           HA       PRO  37  -7.612 -10.917   0.889
  294   1HB   PRO  37          1HB       PRO  37  -4.844  -9.757   0.322
  295   2HB   PRO  37          2HB       PRO  37  -5.529 -11.313  -0.193
  296   1HG   PRO  37          1HG       PRO  37  -5.563  -9.278  -1.965
  297   2HG   PRO  37          2HG       PRO  37  -7.083 -10.193  -1.755
  298   1HD   PRO  37          1HD       PRO  37  -6.251  -7.578  -0.420
  299   2HD   PRO  37          2HD       PRO  37  -7.777  -7.903  -1.311
  300    H    GLU  38           H        GLU  38  -5.560  -8.321   2.712
  301    HA   GLU  38           HA       GLU  38  -4.694 -10.465   4.613
  302   1HB   GLU  38          1HB       GLU  38  -3.289  -8.500   3.747
  303   2HB   GLU  38          2HB       GLU  38  -4.307  -7.417   4.663
  304   1HG   GLU  38          1HG       GLU  38  -3.567  -8.608   6.835
  305   2HG   GLU  38          2HG       GLU  38  -2.571  -9.679   5.867
  306    HE2  GLU  38           HE2      GLU  38  -3.232  -6.398   6.265