*HEADER    TRANSFERASE                             20-SEP-01   1K0P              
*TITLE     NMR STRUCTURES OF THE ZINC FINGER DOMAIN OF HUMAN DNA                 
*TITLE    2 POLYMERASE-ALPHA                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA POLYMERASE ALPHA CATALYTIC SUBUNIT;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: ZINC FINGER DOMAIN (RESIDUES 1347-1377);                   
*COMPND   5 EC: 2.7.7.7;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OCCURS NATURALLY IN HOMO SAPIENS (HUMAN).                   
*KEYWDS    ZINC FINGER PROTEIN, DNA BINDING DOMAIN, POLYMERASE-ALPHA             
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    W.W.YANG, F.EVANICS, S.BASU, R.N.BOSE                                 
*REVDAT   1   24-JUN-03 1K0P    0                                                
!BIOSYM restraint 1
!
#distance
1:ILEn_1:HA         1:ILEn_1:HN*        2.395     2.608    40.000 40.000 1000.000
1:ILEn_1:HB         1:ILEn_1:HN*        2.45      2.666    40.000 40.000 1000.000
1:ILEn_1:HB         1:ILEn_1:HA         2.368     2.592    40.000 40.000 1000.000
1:ILEn_1:HG1*       1:ILEn_1:HN*        3.905     4.175    40.000 40.000 1000.000
1:ILEn_1:HG2*       1:ILEn_1:HA         3.419     3.729    40.000 40.000 1000.000
1:ILEn_1:HD*        1:ILEn_1:HA         3.735     4.074    40.000 40.000 1000.000
1:GLU_3:HA          1:GLU_3:HN          2.613     2.855    40.000 40.000 1000.000
1:GLU_3:HB*         1:GLU_3:HA          2.913     3.165    40.000 40.000 1000.000
1:GLU_4:HN          1:CYSH_2:HA         3.945     4.796    40.000 40.000 1000.000
1:GLU_4:HN          1:GLU_3:HA          3.155     3.507    40.000 40.000 1000.000
1:GLU_4:HA          1:GLU_4:HN          2.75      3.012    40.000 40.000 1000.000
1:GLU_4:HB*         1:GLU_3:HA          2.967     3.184    40.000 40.000 1000.000
1:GLU_4:HB*         1:GLU_4:HA          2.284     2.497    40.000 40.000 1000.000
1:PRO_5:HB*         1:PRO_5:HA          2.26      2.47     40.000 40.000 1000.000
1:PRO_5:HG*         1:PRO_5:HA          3.639     3.997    40.000 40.000 1000.000
1:PRO_5:HD1         1:PRO_5:HB*         3.706     4.092    40.000 40.000 1000.000
1:THR_6:HN          1:CYSH_2:HA         2.651     2.9      40.000 40.000 1000.000
1:THR_6:HN          1:GLU_4:HA          2.758     3.02     40.000 40.000 1000.000
1:THR_6:HN          1:GLU_4:HB*         3.683     4.164    40.000 40.000 1000.000
1:THR_6:HA          1:ILEn_1:HG2*       5.174     5.833    40.000 40.000 1000.000
1:THR_6:HG2*        1:CYSH_2:HA         4.814     5.534    40.000 40.000 1000.000
1:THR_6:HG2*        1:GLU_3:HN          4.733     5.979    40.000 40.000 1000.000
1:THR_6:HG2*        1:GLU_3:HA          4.039     4.544    40.000 40.000 1000.000
1:THR_6:HG2*        1:GLU_4:HA          3.657     3.959    40.000 40.000 1000.000
1:THR_6:HG2*        1:PRO_5:HA          4.437     5.18     40.000 40.000 1000.000
1:THR_6:HG2*        1:THR_6:HN          3.24      3.492    40.000 40.000 1000.000
1:THR_6:HG2*        1:THR_6:HA          3.188     3.465    40.000 40.000 1000.000
1:CYSH_7:HN         1:THR_6:HA          2.429     2.66     40.000 40.000 1000.000
1:CYSH_7:HA         1:CYSH_7:HN         2.146     2.36     40.000 40.000 1000.000
1:CYSH_7:HB1        1:CYSH_7:HA         2.51      2.752    40.000 40.000 1000.000
1:CYSH_7:HB2        1:THR_6:HA          2.336     2.56     40.000 40.000 1000.000
1:ARG_8:HN          1:PRO_5:HA          4.642     5.045    40.000 40.000 1000.000
1:ARG_8:HN          1:CYSH_7:HA         2.688     2.96     40.000 40.000 1000.000
1:ARG_8:HA          1:PRO_5:HB*         2.919     3.144    40.000 40.000 1000.000
1:ARG_8:HA          1:ARG_8:HN          2.068     2.28     40.000 40.000 1000.000
1:ARG_8:HB1         1:PRO_5:HD1         2.485     2.73     40.000 40.000 1000.000
1:ARG_8:HB1         1:PRO_5:HD2         3.691     4.12     40.000 40.000 1000.000
1:ARG_8:HB1         1:ARG_8:HN          3.41      3.731    40.000 40.000 1000.000
1:ARG_8:HB1         1:ARG_8:HA          2.514     2.75     40.000 40.000 1000.000
1:ARG_8:HB2         1:PRO_5:HB*         2.901     3.12     40.000 40.000 1000.000
1:ARG_8:HB2         1:ARG_8:HA          2.296     2.518    40.000 40.000 1000.000
1:ARG_8:HD*         1:ARG_8:HB1         2.761     2.996    40.000 40.000 1000.000
1:ARG_8:HD*         1:ARG_8:HB2         3.156     3.4      40.000 40.000 1000.000
1:ARG_8:HD*         1:ARG_8:HG2         2.521     2.739    40.000 40.000 1000.000
1:ASN_9:HN          1:CYSH_7:HA         3.469     4.062    40.000 40.000 1000.000
1:ASN_9:HN          1:ARG_8:HN          2.865     3.157    40.000 40.000 1000.000
1:ASN_9:HN          1:ARG_8:HA          2.516     2.753    40.000 40.000 1000.000
1:ASN_9:HA          1:ASN_9:HN          2.379     2.603    40.000 40.000 1000.000
1:ASN_9:HB2         1:ASN_9:HA          3.067     3.357    40.000 40.000 1000.000
1:ARG_10:HN         1:THR_6:HA          3.238     3.643    40.000 40.000 1000.000
1:ARG_10:HN         1:CYSH_7:HA         3.398     3.811    40.000 40.000 1000.000
1:ARG_10:HN         1:ASN_9:HA          2.938     3.247    40.000 40.000 1000.000
1:ARG_10:HA         1:ARG_10:HN         2.99      3.296    40.000 40.000 1000.000
1:ARG_10:HB1        1:ARG_10:HA         2.616     2.864    40.000 40.000 1000.000
1:ARG_10:HG1        1:ARG_10:HA         2.514     2.75     40.000 40.000 1000.000
1:ARG_10:HG2        1:ARG_10:HA         3.447     3.809    40.000 40.000 1000.000
1:ARG_10:HD*        1:ARG_10:HB2        3.723     4.058    40.000 40.000 1000.000
1:THR_11:HN         1:CYSH_7:HA         3.35      3.844    40.000 40.000 1000.000
1:THR_11:HN         1:ARG_10:HA         2.777     3.05     40.000 40.000 1000.000
1:THR_11:HA         1:THR_11:HN         2.687     2.964    40.000 40.000 1000.000
1:THR_11:HG2*       1:THR_11:HN         4.304     5.24     40.000 40.000 1000.000
1:THR_11:HG2*       1:THR_11:HA         3.099     3.362    40.000 40.000 1000.000
1:ARG_12:HN         1:ARG_8:HA          3.416     3.84     40.000 40.000 1000.000
1:ARG_12:HN         1:ASN_9:HA          3.336     3.768    40.000 40.000 1000.000
1:ARG_12:HA         1:ARG_12:HN         2.356     2.579    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_8:HG1         2.296     2.518    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_8:HD*         2.945     3.184    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_12:HN         3.576     3.959    40.000 40.000 1000.000
1:ARG_12:HB1        1:ARG_12:HA         2.941     3.215    40.000 40.000 1000.000
1:ARG_12:HB2        1:ARG_12:HA         2.39      2.62     40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HB1        3.673     3.977    40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HB2        2.689     2.911    40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HG1        2.48      2.706    40.000 40.000 1000.000
1:ARG_12:HD*        1:ARG_12:HG2        2.645     2.874    40.000 40.000 1000.000
1:HIS_13:HN         1:ARG_12:HA         2.557     2.808    40.000 40.000 1000.000
1:HIS_13:HA         1:HIS_13:HN         2.831     3.122    40.000 40.000 1000.000
1:LEU_14:HN         1:THR_11:HA         3.253     3.678    40.000 40.000 1000.000
1:LEU_14:HN         1:THR_11:HG2*       4.452     5.337    40.000 40.000 1000.000
1:LEU_14:HN         1:HIS_13:HA         3.614     4.169    40.000 40.000 1000.000
1:LEU_14:HA         1:THR_11:HG2*       4.855     6.537    40.000 40.000 1000.000
1:LEU_14:HA         1:LEU_14:HN         2.211     2.424    40.000 40.000 1000.000
1:LEU_14:HB*        1:LEU_14:HN         3.526     3.921    40.000 40.000 1000.000
1:LEU_14:HB*        1:LEU_14:HA         2.673     2.898    40.000 40.000 1000.000
1:LEU_14:HD1*       1:LEU_14:HA         4.351     5.108    40.000 40.000 1000.000
1:LEU_14:HD2*       1:ARG_10:HA         3.267     3.513    40.000 40.000 1000.000
1:LEU_14:HD2*       1:LEU_14:HA         3.868     4.343    40.000 40.000 1000.000
1:PRO_15:HB*        1:PRO_15:HA         2.569     2.793    40.000 40.000 1000.000
1:PRO_15:HG*        1:PRO_15:HA         3.275     3.6      40.000 40.000 1000.000
1:PRO_15:HD1        1:HIS_13:HA         2.961     3.269    40.000 40.000 1000.000
1:PRO_15:HD1        1:PRO_15:HB*        3.43      3.756    40.000 40.000 1000.000
1:LEU_16:HN         1:LEU_14:HB*        2.593     2.821    40.000 40.000 1000.000
1:LEU_16:HN         1:PRO_15:HA         2.53      2.774    40.000 40.000 1000.000
1:LEU_16:HN         1:PRO_15:HB*        2.98      3.249    40.000 40.000 1000.000
1:LEU_16:HA         1:LEU_14:HB*        3.768     4.203    40.000 40.000 1000.000
1:LEU_16:HA         1:LEU_16:HN         2.414     2.645    40.000 40.000 1000.000
1:LEU_16:HB*        1:LEU_14:HA         3.966     4.374    40.000 40.000 1000.000
1:LEU_16:HB*        1:LEU_16:HN         2.697     2.931    40.000 40.000 1000.000
1:LEU_16:HB*        1:LEU_16:HA         2.816     3.046    40.000 40.000 1000.000
1:LEU_16:HG         1:LEU_14:HN         3.631     4.312    40.000 40.000 1000.000
1:LEU_16:HD1*       1:LEU_16:HA         2.938     3.167    40.000 40.000 1000.000
1:LEU_16:HD2*       1:LEU_16:HA         3.421     3.714    40.000 40.000 1000.000
1:GLN_17:HN         1:LEU_14:HA         3.347     3.74     40.000 40.000 1000.000
1:GLN_17:HN         1:PRO_15:HA         2.868     3.151    40.000 40.000 1000.000
1:GLN_17:HN         1:LEU_16:HA         3.012     3.334    40.000 40.000 1000.000
1:GLN_17:HA         1:LEU_16:HB*        3.541     3.953    40.000 40.000 1000.000
1:GLN_17:HA         1:GLN_17:HN         2.39      2.62     40.000 40.000 1000.000
1:GLN_17:HB*        1:PRO_15:HD2        4.311     5.76     40.000 40.000 1000.000
1:GLN_17:HB*        1:GLN_17:HN         3.163     3.432    40.000 40.000 1000.000
1:PHE_18:HN         1:PRO_15:HA         3.219     3.666    40.000 40.000 1000.000
1:PHE_18:HN         1:GLN_17:HA         2.001     2.234    40.000 40.000 1000.000
1:PHE_18:HA         1:PHE_18:HN         2.565     2.864    40.000 40.000 1000.000
1:PHE_18:HE*        1:PHE_18:HB*        4.283     4.994    40.000 40.000 1000.000
1:SER_19:HN         1:GLN_17:HA         2.229     2.446    40.000 40.000 1000.000
1:SER_19:HN         1:PHE_18:HA         2.734     2.997    40.000 40.000 1000.000
1:SER_19:HA         1:SER_19:HN         2.942     3.276    40.000 40.000 1000.000
1:SER_19:HB*        1:SER_19:HN         2.885     3.117    40.000 40.000 1000.000
1:SER_19:HG         1:PRO_15:HB*        3.499     3.813    40.000 40.000 1000.000
1:ARG_20:HN         1:PHE_18:HN         2.365     2.62     40.000 40.000 1000.000
1:ARG_20:HN         1:SER_19:HA         2.975     3.244    40.000 40.000 1000.000
1:ARG_20:HN         1:SER_19:HB*        3.153     3.455    40.000 40.000 1000.000
1:ARG_20:HA         1:ARG_20:HN         2.911     3.21     40.000 40.000 1000.000
1:ARG_20:HB2        1:ARG_20:HA         2.45      2.685    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HB1        2.814     3.062    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HB2        3.125     3.398    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HG1        2.521     2.741    40.000 40.000 1000.000
1:ARG_20:HD*        1:ARG_20:HG2        2.51      2.726    40.000 40.000 1000.000
1:THR_21:HN         1:ARG_20:HA         2.334     2.56     40.000 40.000 1000.000
1:THR_21:HA         1:THR_21:HN         2.649     2.901    40.000 40.000 1000.000
1:THR_21:HG2*       1:PHE_18:HB*        4.904     5.349    40.000 40.000 1000.000
1:THR_21:HG2*       1:SER_19:HA         4.943     5.899    40.000 40.000 1000.000
1:THR_21:HG2*       1:ARG_20:HA         4.624     5.336    40.000 40.000 1000.000
1:THR_21:HG2*       1:THR_21:HN         3.071     3.294    40.000 40.000 1000.000
1:THR_21:HG2*       1:THR_21:HA         3.931     4.327    40.000 40.000 1000.000
1:GLY_22:HN         1:THR_21:HA         2.512     2.744    40.000 40.000 1000.000
1:GLY_22:HA*        1:GLY_22:HN         2.876     3.127    40.000 40.000 1000.000
1:PRO_23:HA         1:THR_21:HA         2.955     3.255    40.000 40.000 1000.000
1:PRO_23:HB*        1:ARG_20:HB2        4.061     4.475    40.000 40.000 1000.000
1:PRO_23:HB*        1:PRO_23:HA         2.533     2.751    40.000 40.000 1000.000
1:PRO_23:HG*        1:PRO_23:HA         3.115     3.36     40.000 40.000 1000.000
1:PRO_23:HD1        1:PRO_23:HB*        3.315     3.595    40.000 40.000 1000.000
1:PRO_23:HD2        1:GLY_22:HA*        4.369     5.888    40.000 40.000 1000.000
1:LEU_24:HN         1:PHE_18:HN         2.401     2.788    40.000 40.000 1000.000
1:LEU_24:HN         1:THR_21:HA         2.928     3.227    40.000 40.000 1000.000
1:LEU_24:HN         1:GLY_22:HA*        3.43      3.709    40.000 40.000 1000.000
1:LEU_24:HN         1:PRO_23:HA         2.624     2.878    40.000 40.000 1000.000
1:LEU_24:HB*        1:LEU_24:HN         2.508     2.719    40.000 40.000 1000.000
1:LEU_24:HB*        1:LEU_24:HA         2.707     2.946    40.000 40.000 1000.000
1:LEU_24:HD1*       1:GLY_22:HA*        3.528     3.763    40.000 40.000 1000.000
1:LEU_24:HD1*       1:LEU_24:HA         3.028     3.266    40.000 40.000 1000.000
1:LEU_24:HD2*       1:LEU_24:HB*        2.763     2.983    40.000 40.000 1000.000
1:CYSH_25:HN        1:LEU_24:HA         2.192     2.407    40.000 40.000 1000.000
1:CYSH_25:HN        1:LEU_24:HB*        4.078     4.755    40.000 40.000 1000.000
1:CYSH_25:HN        1:LEU_24:HG         3.137     3.473    40.000 40.000 1000.000
1:CYSH_25:HA        1:CYSH_25:HN        2.527     2.764    40.000 40.000 1000.000
1:CYSH_25:HB1       1:CYSH_25:HN        2.655     2.912    40.000 40.000 1000.000
1:CYSH_25:HB1       1:CYSH_25:HA        2.373     2.6      40.000 40.000 1000.000
1:PRO_26:HB*        1:PRO_26:HA         2.665     2.888    40.000 40.000 1000.000
1:PRO_26:HG*        1:PRO_26:HA         3.195     3.447    40.000 40.000 1000.000
1:PRO_26:HD2        1:PRO_23:HB*        3.685     4.102    40.000 40.000 1000.000
1:PRO_26:HD2        1:CYSH_25:HB2       3.572     4.033    40.000 40.000 1000.000
1:ALA_27:HN         1:GLY_22:HA*        2.909     3.156    40.000 40.000 1000.000
1:ALA_27:HN         1:LEU_24:HA         4.204     4.519    40.000 40.000 1000.000
1:ALA_27:HN         1:CYSH_25:HA        3.301     3.706    40.000 40.000 1000.000
1:ALA_27:HN         1:PRO_26:HA         3.385     3.864    40.000 40.000 1000.000
1:ALA_27:HB*        1:GLY_22:HA*        4.108     4.406    40.000 40.000 1000.000
1:ALA_27:HB*        1:LEU_24:HD1*       4.903     5.54     40.000 40.000 1000.000
1:ALA_27:HB*        1:ALA_27:HN         3.39      3.719    40.000 40.000 1000.000
1:CYSH_28:HN        1:GLY_22:HA*        3.174     3.455    40.000 40.000 1000.000
1:CYSH_28:HN        1:LEU_24:HB*        4.279     5.091    40.000 40.000 1000.000
1:CYSH_28:HN        1:LEU_24:HG         3.623     3.981    40.000 40.000 1000.000
1:CYSH_28:HN        1:CYSH_25:HA        3.018     3.305    40.000 40.000 1000.000
1:CYSH_28:HN        1:ALA_27:HA         2.496     2.732    40.000 40.000 1000.000
1:CYSH_28:HA        1:LEU_24:HD2*       4.137     4.631    40.000 40.000 1000.000
1:CYSH_28:HA        1:CYSH_25:HN        3.374     3.757    40.000 40.000 1000.000
1:CYSH_28:HB*       1:LEU_24:HA         4.456     4.959    40.000 40.000 1000.000
1:MET_29:HN         1:CYSH_28:HA        3.399     3.911    40.000 40.000 1000.000
1:MET_29:HA         1:MET_29:HN         2.904     3.191    40.000 40.000 1000.000
1:MET_29:HG*        1:ILEn_1:HG2*       4.422     4.75     40.000 40.000 1000.000
1:MET_29:HE*        1:CYSH_7:HA         2.962     3.212    40.000 40.000 1000.000
1:MET_29:HE*        1:THR_11:HA         3.318     3.588    40.000 40.000 1000.000
1:MET_29:HE*        1:LEU_24:HB*        4.369     4.684    40.000 40.000 1000.000
1:MET_29:HE*        1:MET_29:HA         3.321     3.63     40.000 40.000 1000.000
1:MET_29:HE*        1:MET_29:HG*        3.449     3.707    40.000 40.000 1000.000
1:LYS_30:HN         1:MET_29:HA         2.496     2.739    40.000 40.000 1000.000
1:LYS_30:HA         1:LYS_30:HN         2.659     2.928    40.000 40.000 1000.000
1:LYS_30:HB1        1:LYS_30:HA         2.863     3.143    40.000 40.000 1000.000
1:LYS_30:HE*        1:LYS_30:HD*        2.554     2.767    40.000 40.000 1000.000
1:ALA_31:HB*        1:LYS_30:HA         4.496     5.868    40.000 40.000 1000.000
1:CYSH_2:SG         1:CYSH_7:SG         3.820     3.840    40.000 40.000 1000.000
1:CYSH_2:SG         1:CYSH_25:SG        3.820     3.840    40.000 40.000 1000.000
1:CYSH_2:SG         1:CYSH_28:SG        3.820     3.840    40.000 40.000 1000.000
1:CYSH_7:SG         1:CYSH_25:SG        3.820     3.840    40.000 40.000 1000.000
1:CYSH_7:SG         1:CYSH_28:SG        3.820     3.840    40.000 40.000 1000.000
1:CYSH_25:SG        1:CYSH_28:SG        3.820     3.840    40.000 40.000 1000.000
!
#mixing_times
-9.990000E+02 
!
#3J_dihedral
1:LEU_16:HN        1:LEU_16:N         1:LEU_16:CA        1:LEU_16:HA         8.50  0.70 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500
1:SER_19:HN        1:SER_19:N         1:SER_19:CA        1:SER_19:HA        14.80  0.10 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500
1:ARG_20:HN        1:ARG_20:N         1:ARG_20:CA        1:ARG_20:HA        10.80  0.40 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500
1:LYS_30:HN        1:LYS_30:N         1:LYS_30:CA        1:LYS_30:HA         8.80  0.70 40.00 40.00 1000.000  155.0 -155.0 !A=6.700, B=-1.300, C=1.500

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1H        ILE   1  10.304   3.976   3.679
    2   2H    ILE   1          2H        ILE   1  10.993   3.915   5.157
    3    HA   ILE   1           HA       ILE   1  10.255   1.745   5.568
    4    HB   ILE   1           HB       ILE   1   8.584   3.850   5.129
    5   1HG1  ILE   1          1HG1      ILE   1   8.555   2.311   7.705
    6   2HG1  ILE   1          2HG1      ILE   1   9.967   3.243   7.247
    7   1HG2  ILE   1          1HG2      ILE   1   6.407   2.704   5.937
    8   2HG2  ILE   1          2HG2      ILE   1   6.887   2.170   4.324
    9   3HG2  ILE   1          3HG2      ILE   1   7.233   1.138   5.729
   10   1HD1  ILE   1          1HD1      ILE   1   8.414   4.695   8.549
   11   2HD1  ILE   1          2HD1      ILE   1   8.610   5.315   6.888
   12   3HD1  ILE   1          3HD1      ILE   1   7.124   4.444   7.332
   13    H    CYS   2           H        CYS   2   8.474   2.624   2.695
   14    HA   CYS   2           HA       CYS   2   7.796  -0.060   2.091
   15   1HB   CYS   2          2HB       CYS   2   7.172   2.616   1.043
   16   2HB   CYS   2          1HB       CYS   2   6.761   1.278  -0.017
   17    HG   CYS   2           HG       CYS   2   5.724   1.906   3.017
   18    H    GLU   3           H        GLU   3   8.993  -1.571   1.396
   19    HA   GLU   3           HA       GLU   3   9.784  -1.417  -1.539
   20   1HB   GLU   3          1HB       GLU   3  11.034  -2.913   0.771
   21   2HB   GLU   3          2HB       GLU   3  10.785  -3.909  -0.656
   22   1HG   GLU   3          2HG       GLU   3  12.424  -2.666  -1.912
   23   2HG   GLU   3          1HG       GLU   3  12.130  -1.171  -1.028
   24    HE2  GLU   3           HE2      GLU   3  15.324  -2.443  -0.068
   25    H    GLU   4           H        GLU   4   9.305  -3.094  -2.933
   26    HA   GLU   4           HA       GLU   4   6.395  -3.156  -2.719
   27   1HB   GLU   4          1HB       GLU   4   6.577  -3.551  -5.254
   28   2HB   GLU   4          2HB       GLU   4   7.375  -2.126  -4.631
   29   1HG   GLU   4          1HG       GLU   4   9.429  -2.825  -5.487
   30   2HG   GLU   4          2HG       GLU   4   9.306  -4.401  -4.712
   31    HE2  GLU   4           HE2      GLU   4   8.453  -6.003  -7.558
   32    HA   PRO   5           HA       PRO   5   5.343  -7.370  -2.484
   33   1HB   PRO   5          1HB       PRO   5   6.932  -9.281  -1.280
   34   2HB   PRO   5          2HB       PRO   5   7.128  -8.926  -3.006
   35   1HG   PRO   5          1HG       PRO   5   8.772  -7.798  -0.672
   36   2HG   PRO   5          2HG       PRO   5   9.391  -8.554  -2.154
   37   1HD   PRO   5          1HD       PRO   5   9.086  -5.795  -1.754
   38   2HD   PRO   5          2HD       PRO   5   9.100  -6.515  -3.402
   39    H    THR   6           H        THR   6   6.168  -5.066  -0.829
   40    HA   THR   6           HA       THR   6   5.118  -5.862   1.920
   41    HB   THR   6           HB       THR   6   6.753  -3.337   1.724
   42    HG1  THR   6           HG1      THR   6   7.853  -5.697   2.731
   43   1HG2  THR   6          1HG2      THR   6   5.203  -4.140   3.785
   44   2HG2  THR   6          2HG2      THR   6   6.561  -5.241   4.125
   45   3HG2  THR   6          3HG2      THR   6   6.821  -3.486   4.115
   46    H    CYS   7           H        CYS   7   5.119  -2.647   0.084
   47    HA   CYS   7           HA       CYS   7   2.789  -2.220  -0.224
   48   1HB   CYS   7          2HB       CYS   7   4.118  -2.059  -2.831
   49   2HB   CYS   7          1HB       CYS   7   3.196  -0.780  -2.066
   50    HG   CYS   7           HG       CYS   7   6.322  -1.620  -1.613
   51    H    ARG   8           H        ARG   8   3.478  -4.555  -1.703
   52    HA   ARG   8           HA       ARG   8   0.838  -5.061  -3.162
   53   1HB   ARG   8          1HB       ARG   8   1.927  -6.377  -4.464
   54   2HB   ARG   8          2HB       ARG   8   3.411  -6.389  -3.547
   55   1HG   ARG   8          1HG       ARG   8   2.826  -8.412  -2.351
   56   2HG   ARG   8          2HG       ARG   8   1.114  -8.221  -2.684
   57   1HD   ARG   8          1HD       ARG   8   1.586  -8.689  -5.167
   58   2HD   ARG   8          2HD       ARG   8   3.276  -9.043  -4.709
   59   1HH1  ARG   8          1HH1      ARG   8   1.452 -10.258  -6.371
   60   2HH1  ARG   8          2HH1      ARG   8   0.667 -11.917  -6.536
   61   1HH2  ARG   8          1HH2      ARG   8   1.141 -12.504  -3.241
   62   2HH2  ARG   8          2HH2      ARG   8   0.583 -13.165  -4.878
   63    H    ASN   9           H        ASN   9   2.449  -6.135  -0.459
   64    HA   ASN   9           HA       ASN   9   0.204  -7.083   1.231
   65   1HB   ASN   9          2HB       ASN   9   3.104  -6.403   1.738
   66   2HB   ASN   9          1HB       ASN   9   1.916  -6.487   3.057
   67   1HD2  ASN   9          2HD2      ASN   9   3.235  -8.272   3.771
   68   2HD2  ASN   9          1HD2      ASN   9   2.983  -9.900   2.953
   69    H    ARG  10           H        ARG  10   1.366  -3.740   0.689
   70    HA   ARG  10           HA       ARG  10  -0.951  -2.528   1.958
   71   1HB   ARG  10          2HB       ARG  10   1.352  -0.826   1.060
   72   2HB   ARG  10          1HB       ARG  10   0.117  -0.606   2.296
   73   1HG   ARG  10          1HG       ARG  10   1.367  -1.689   3.988
   74   2HG   ARG  10          2HG       ARG  10   2.148  -2.780   2.862
   75   1HD   ARG  10          1HD       ARG  10   3.852  -1.308   2.363
   76   2HD   ARG  10          2HD       ARG  10   2.883   0.136   2.700
   77   1HH1  ARG  10          1HH1      ARG  10   1.603   0.526   4.446
   78   2HH1  ARG  10          2HH1      ARG  10   1.731   1.002   6.221
   79   1HH2  ARG  10          1HH2      ARG  10   4.427  -1.010   6.586
   80   2HH2  ARG  10          2HH2      ARG  10   3.242   0.169   7.385
   81    H    THR  11           H        THR  11  -0.578  -3.300  -0.524
   82    HA   THR  11           HA       THR  11  -2.180  -1.565  -1.954
   83    HB   THR  11           HB       THR  11  -0.604  -3.862  -2.389
   84    HG1  THR  11           HG1      THR  11   0.374  -2.740  -3.921
   85   1HG2  THR  11          1HG2      THR  11  -1.992  -4.211  -4.939
   86   2HG2  THR  11          2HG2      THR  11  -3.023  -4.481  -3.501
   87   3HG2  THR  11          3HG2      THR  11  -2.982  -2.957  -4.319
   88    H    ARG  12           H        ARG  12  -1.873  -4.520  -0.731
   89    HA   ARG  12           HA       ARG  12  -4.338  -5.624  -0.062
   90   1HB   ARG  12          2HB       ARG  12  -2.635  -7.069  -0.245
   91   2HB   ARG  12          1HB       ARG  12  -1.776  -5.715   0.401
   92   1HG   ARG  12          1HG       ARG  12  -3.173  -8.117   1.875
   93   2HG   ARG  12          2HG       ARG  12  -1.501  -7.632   2.110
   94   1HD   ARG  12          1HD       ARG  12  -2.111  -5.763   3.467
   95   2HD   ARG  12          2HD       ARG  12  -3.800  -5.818   3.022
   96   1HH1  ARG  12          1HH1      ARG  12  -4.963  -5.688   4.449
   97   2HH1  ARG  12          2HH1      ARG  12  -5.718  -6.343   5.998
   98   1HH2  ARG  12          1HH2      ARG  12  -3.335  -8.736   6.180
   99   2HH2  ARG  12          2HH2      ARG  12  -4.891  -8.029   6.894
  100    H    HIS  13           H        HIS  13  -2.497  -4.284   2.423
  101    HA   HIS  13           HA       HIS  13  -4.562  -2.505   3.365
  102   1HB   HIS  13          1HB       HIS  13  -1.621  -1.669   3.706
  103   2HB   HIS  13          2HB       HIS  13  -2.860  -1.469   4.911
  104    HD2  HIS  13           HD2      HIS  13   0.057  -2.660   5.621
  105    HE1  HIS  13           HE1      HIS  13  -2.119  -6.071   6.607
  106    HE2  HIS  13           HE2      HIS  13   0.128  -4.873   7.055
  107    H    LEU  14           H        LEU  14  -3.495  -2.218   0.898
  108    HA   LEU  14           HA       LEU  14  -4.895   0.043   0.579
  109   1HB   LEU  14          1HB       LEU  14  -3.497   0.115  -1.348
  110   2HB   LEU  14          2HB       LEU  14  -3.894  -1.545  -1.624
  111    HG   LEU  14           HG       LEU  14  -6.279  -0.726  -1.914
  112   1HD1  LEU  14          1HD1      LEU  14  -4.566   1.536  -3.039
  113   2HD1  LEU  14          2HD1      LEU  14  -6.321   1.298  -3.412
  114   3HD1  LEU  14          3HD1      LEU  14  -5.814   1.632  -1.744
  115   1HD2  LEU  14          1HD2      LEU  14  -4.131  -0.830  -4.056
  116   2HD2  LEU  14          2HD2      LEU  14  -5.282  -2.139  -3.576
  117   3HD2  LEU  14          3HD2      LEU  14  -5.915  -0.730  -4.395
  118    HA   PRO  15           HA       PRO  15  -8.836  -1.860   0.592
  119   1HB   PRO  15          1HB       PRO  15  -7.506  -4.582   1.326
  120   2HB   PRO  15          2HB       PRO  15  -9.291  -4.381   1.075
  121   1HG   PRO  15          1HG       PRO  15  -8.013  -5.189  -1.195
  122   2HG   PRO  15          2HG       PRO  15  -8.851  -3.616  -1.352
  123   1HD   PRO  15          1HD       PRO  15  -5.934  -4.169  -0.653
  124   2HD   PRO  15          2HD       PRO  15  -6.585  -2.975  -1.889
  125    H    LEU  16           H        LEU  16  -6.483  -1.776   2.273
  126    HA   LEU  16           HA       LEU  16  -7.907  -1.501   4.658
  127   1HB   LEU  16          1HB       LEU  16  -5.190  -2.073   4.643
  128   2HB   LEU  16          2HB       LEU  16  -5.178  -0.342   4.889
  129    HG   LEU  16           HG       LEU  16  -6.878  -2.131   6.689
  130   1HD1  LEU  16          1HD2      LEU  16  -3.892  -1.480   7.074
  131   2HD1  LEU  16          2HD2      LEU  16  -4.926  -2.199   8.329
  132   3HD1  LEU  16          3HD2      LEU  16  -4.596  -3.091   6.821
  133   1HD2  LEU  16          1HD1      LEU  16  -6.375  -0.309   8.417
  134   2HD2  LEU  16          2HD1      LEU  16  -5.445   0.586   7.205
  135   3HD2  LEU  16          3HD1      LEU  16  -7.194   0.363   6.985
  136    H    GLN  17           H        GLN  17  -9.113  -0.348   2.993
  137    HA   GLN  17           HA       GLN  17  -8.068   2.361   2.122
  138   1HB   GLN  17          1HB       GLN  17  -9.210   2.063   0.160
  139   2HB   GLN  17          2HB       GLN  17  -8.797   0.420   0.553
  140   1HG   GLN  17          1HG       GLN  17 -11.293   0.339   1.630
  141   2HG   GLN  17          2HG       GLN  17 -11.589   1.721   0.600
  142   1HE2  GLN  17          2HE2      GLN  17  -9.818   0.768  -1.541
  143   2HE2  GLN  17          1HE2      GLN  17 -10.710  -0.676  -2.267
  144    H    PHE  18           H        PHE  18  -8.402   3.380   3.936
  145    HA   PHE  18           HA       PHE  18 -10.521   5.468   3.800
  146   1HB   PHE  18          1HB       PHE  18  -7.695   4.977   4.844
  147   2HB   PHE  18          2HB       PHE  18  -7.838   6.564   4.150
  148    HD1  PHE  18           HD1      PHE  18  -7.732   8.163   5.542
  149    HD2  PHE  18           HD2      PHE  18 -10.118   4.746   6.588
  150    HE1  PHE  18           HE1      PHE  18  -8.497   9.329   7.454
  151    HE2  PHE  18           HE2      PHE  18 -10.914   5.866   8.519
  152    HZ   PHE  18           HZ       PHE  18 -10.022   8.175   9.146
  153    H    SER  19           H        SER  19  -7.864   4.403   2.063
  154    HA   SER  19           HA       SER  19  -7.748   6.421  -0.226
  155   1HB   SER  19          1HB       SER  19  -5.498   4.783  -0.134
  156   2HB   SER  19          2HB       SER  19  -5.762   6.517  -0.028
  157    HG   SER  19           HG       SER  19  -5.894   4.780   2.217
  158    H    ARG  20           H        ARG  20  -8.521   5.877  -2.028
  159    HA   ARG  20           HA       ARG  20  -8.032   3.150  -3.176
  160   1HB   ARG  20          2HB       ARG  20 -10.558   3.641  -3.294
  161   2HB   ARG  20          1HB       ARG  20 -10.084   5.042  -4.235
  162   1HG   ARG  20          2HG       ARG  20 -10.946   3.162  -5.695
  163   2HG   ARG  20          1HG       ARG  20  -9.277   3.556  -6.112
  164   1HD   ARG  20          1HD       ARG  20  -8.424   1.591  -4.888
  165   2HD   ARG  20          2HD       ARG  20 -10.005   1.264  -4.191
  166   1HH1  ARG  20          1HH1      ARG  20  -7.781   2.085  -6.844
  167   2HH1  ARG  20          2HH1      ARG  20  -7.737   1.560  -8.610
  168   1HH2  ARG  20          1HH2      ARG  20 -10.385  -0.485  -8.081
  169   2HH2  ARG  20          2HH2      ARG  20  -9.103   0.125  -9.270
  170    H    THR  21           H        THR  21  -5.930   3.399  -3.521
  171    HA   THR  21           HA       THR  21  -4.033   4.557  -3.741
  172    HB   THR  21           HB       THR  21  -3.516   5.311  -5.779
  173    HG1  THR  21           HG1      THR  21  -4.628   6.570  -7.090
  174   1HG2  THR  21          1HG2      THR  21  -6.410   4.048  -6.368
  175   2HG2  THR  21          2HG2      THR  21  -5.024   3.957  -7.479
  176   3HG2  THR  21          3HG2      THR  21  -5.014   3.031  -5.953
  177    H    GLY  22           H        GLY  22  -5.686   5.713  -1.927
  178   1HA   GLY  22          1HA       GLY  22  -4.901   8.606  -1.735
  179   2HA   GLY  22          2HA       GLY  22  -5.957   7.731  -0.677
  180    HA   PRO  23           HA       PRO  23  -2.744   6.241  -2.095
  181   1HB   PRO  23          1HB       PRO  23  -0.119   6.542  -1.933
  182   2HB   PRO  23          2HB       PRO  23  -1.121   7.966  -1.728
  183   1HG   PRO  23          1HG       PRO  23   0.220   6.203   0.463
  184   2HG   PRO  23          2HG       PRO  23   0.302   7.976   0.333
  185   1HD   PRO  23          2HD       PRO  23  -1.574   6.394   1.727
  186   2HD   PRO  23          1HD       PRO  23  -1.775   8.180   1.486
  187    H    LEU  24           H        LEU  24  -3.408   3.844  -1.851
  188    HA   LEU  24           HA       LEU  24  -0.988   2.260  -1.244
  189   1HB   LEU  24          1HB       LEU  24  -3.770   1.248  -0.557
  190   2HB   LEU  24          2HB       LEU  24  -2.412   0.548   0.003
  191    HG   LEU  24           HG       LEU  24  -2.355   3.361   0.963
  192   1HD1  LEU  24          1HD2      LEU  24  -4.436   3.560   2.252
  193   2HD1  LEU  24          2HD2      LEU  24  -4.919   3.246   0.574
  194   3HD1  LEU  24          3HD2      LEU  24  -5.007   2.003   1.792
  195   1HD2  LEU  24          1HD1      LEU  24  -2.997   0.752   2.515
  196   2HD2  LEU  24          2HD1      LEU  24  -1.357   1.427   2.237
  197   3HD2  LEU  24          3HD1      LEU  24  -2.515   2.290   3.265
  198    H    CYS  25           H        CYS  25  -0.982  -0.165  -2.125
  199    HA   CYS  25           HA       CYS  25   0.599   1.645  -1.944
  200   1HB   CYS  25          2HB       CYS  25   0.188  -0.147  -0.613
  201   2HB   CYS  25          1HB       CYS  25   1.476  -0.468  -1.620
  202    HG   CYS  25           HG       CYS  25   1.245   1.946  -0.081
  203    HA   PRO  26           HA       PRO  26   2.786   2.247  -5.330
  204   1HB   PRO  26          1HB       PRO  26   1.987   1.819  -7.861
  205   2HB   PRO  26          2HB       PRO  26   2.503   0.368  -6.970
  206   1HG   PRO  26          1HG       PRO  26  -0.338   1.442  -7.370
  207   2HG   PRO  26          2HG       PRO  26   0.287  -0.228  -7.559
  208   1HD   PRO  26          2HD       PRO  26  -0.905   0.836  -5.130
  209   2HD   PRO  26          1HD       PRO  26  -0.038  -0.730  -5.373
  210    H    ALA  27           H        ALA  27   0.029   2.825  -4.000
  211    HA   ALA  27           HA       ALA  27   0.084   5.696  -5.134
  212   1HB   ALA  27          1HB       ALA  27  -2.156   4.885  -4.556
  213   2HB   ALA  27          2HB       ALA  27  -1.607   4.320  -2.972
  214   3HB   ALA  27          3HB       ALA  27  -1.641   6.065  -3.322
  215    H    CYS  28           H        CYS  28   1.984   3.565  -3.445
  216    HA   CYS  28           HA       CYS  28   2.254   5.019  -0.971
  217   1HB   CYS  28          1HB       CYS  28   3.133   3.185  -0.157
  218   2HB   CYS  28          2HB       CYS  28   2.926   2.534  -1.736
  219    HG   CYS  28           HG       CYS  28   5.588   3.641  -0.143
  220    H    MET  29           H        MET  29   3.002   7.050  -0.639
  221    HA   MET  29           HA       MET  29   5.809   7.710  -1.451
  222   1HB   MET  29          1HB       MET  29   3.668   9.229   0.159
  223   2HB   MET  29          2HB       MET  29   5.248   9.891  -0.232
  224   1HG   MET  29          1HG       MET  29   4.681  10.242  -2.493
  225   2HG   MET  29          2HG       MET  29   3.675   8.802  -2.594
  226   1HE   MET  29          1HE       MET  29   2.407  13.058  -2.065
  227   2HE   MET  29          2HE       MET  29   3.459  12.598  -0.689
  228   3HE   MET  29          3HE       MET  29   4.025  12.357  -2.369
  229    H    LYS  30           H        LYS  30   6.222   5.595  -0.176
  230    HA   LYS  30           HA       LYS  30   7.426   6.262   2.456
  231   1HB   LYS  30          1HB       LYS  30   6.251   3.511   1.718
  232   2HB   LYS  30          2HB       LYS  30   6.787   4.058   3.288
  233   1HG   LYS  30          1HG       LYS  30   4.460   4.191   3.521
  234   2HG   LYS  30          2HG       LYS  30   4.947   5.853   3.270
  235   1HD   LYS  30          1HD       LYS  30   4.007   5.886   1.016
  236   2HD   LYS  30          2HD       LYS  30   4.094   4.167   0.850
  237   1HE   LYS  30          1HE       LYS  30   2.082   5.727   2.609
  238   2HE   LYS  30          2HE       LYS  30   1.679   4.988   1.089
  239   1HZ   LYS  30          1HZ       LYS  30   1.776   2.883   2.065
  240   2HZ   LYS  30          2HZ       LYS  30   1.208   3.762   3.289
  241    H    ALA  31           H        ALA  31   9.559   5.611   2.923
  242    HA   ALA  31           HA       ALA  31  11.887   5.439   2.235
  243   1HB   ALA  31          1HB       ALA  31  12.242   3.125   1.333
  244   2HB   ALA  31          2HB       ALA  31  11.016   3.099   2.607
  245   3HB   ALA  31          3HB       ALA  31  10.535   2.979   0.895
  Start of MODEL    2
    1   1H    ILE   1          1H        ILE   1  10.563   1.913   5.777
    2   2H    ILE   1          2H        ILE   1  10.084   2.757   7.089
    3    HA   ILE   1           HA       ILE   1   7.797   2.709   6.417
    4    HB   ILE   1           HB       ILE   1   9.272   3.600   4.241
    5   1HG1  ILE   1          1HG1      ILE   1   9.218   5.826   6.077
    6   2HG1  ILE   1          2HG1      ILE   1   9.945   4.442   6.869
    7   1HG2  ILE   1          1HG2      ILE   1   7.658   5.636   4.258
    8   2HG2  ILE   1          2HG2      ILE   1   6.833   4.100   3.984
    9   3HG2  ILE   1          3HG2      ILE   1   6.802   4.837   5.602
   10   1HD1  ILE   1          1HD1      ILE   1  11.704   5.686   5.612
   11   2HD1  ILE   1          2HD1      ILE   1  11.507   4.038   4.954
   12   3HD1  ILE   1          3HD1      ILE   1  10.821   5.424   4.075
   13    H    CYS   2           H        CYS   2   7.364   2.483   3.319
   14    HA   CYS   2           HA       CYS   2   7.733  -0.491   3.075
   15   1HB   CYS   2          2HB       CYS   2   5.539  -0.536   1.968
   16   2HB   CYS   2          1HB       CYS   2   5.464   0.112   3.599
   17    HG   CYS   2           HG       CYS   2   4.957   1.510   0.748
   18    H    GLU   3           H        GLU   3   9.023  -1.247   1.782
   19    HA   GLU   3           HA       GLU   3   8.962  -0.531  -1.180
   20   1HB   GLU   3          1HB       GLU   3  10.749  -2.350  -1.377
   21   2HB   GLU   3          2HB       GLU   3  11.239  -0.951  -0.432
   22   1HG   GLU   3          2HG       GLU   3  10.638  -2.425   1.701
   23   2HG   GLU   3          1HG       GLU   3  10.454  -3.775   0.586
   24    HE2  GLU   3           HE2      GLU   3  14.113  -2.362   0.211
   25    H    GLU   4           H        GLU   4   8.717  -2.212  -2.758
   26    HA   GLU   4           HA       GLU   4   5.906  -2.856  -2.223
   27   1HB   GLU   4          1HB       GLU   4   5.699  -2.687  -4.700
   28   2HB   GLU   4          2HB       GLU   4   6.628  -1.362  -4.037
   29   1HG   GLU   4          1HG       GLU   4   8.760  -2.944  -4.729
   30   2HG   GLU   4          2HG       GLU   4   7.587  -3.692  -5.809
   31    HE2  GLU   4           HE2      GLU   4   9.434  -0.863  -7.282
   32    HA   PRO   5           HA       PRO   5   5.563  -7.131  -2.595
   33   1HB   PRO   5          1HB       PRO   5   7.557  -8.923  -1.877
   34   2HB   PRO   5          2HB       PRO   5   7.492  -8.294  -3.533
   35   1HG   PRO   5          1HG       PRO   5   9.241  -7.302  -1.218
   36   2HG   PRO   5          2HG       PRO   5   9.754  -7.664  -2.880
   37   1HD   PRO   5          1HD       PRO   5   9.061  -5.116  -1.865
   38   2HD   PRO   5          2HD       PRO   5   9.075  -5.488  -3.624
   39    H    THR   6           H        THR   6   6.394  -4.993  -0.641
   40    HA   THR   6           HA       THR   6   5.077  -6.368   1.743
   41    HB   THR   6           HB       THR   6   6.143  -3.553   2.053
   42    HG1  THR   6           HG1      THR   6   7.449  -6.027   2.351
   43   1HG2  THR   6          1HG2      THR   6   4.410  -4.779   3.704
   44   2HG2  THR   6          2HG2      THR   6   5.842  -5.691   4.240
   45   3HG2  THR   6          3HG2      THR   6   5.801  -3.925   4.402
   46    H    CYS   7           H        CYS   7   4.860  -3.136   0.191
   47    HA   CYS   7           HA       CYS   7   2.555  -2.551  -0.054
   48   1HB   CYS   7          1HB       CYS   7   4.189  -2.172  -2.469
   49   2HB   CYS   7          2HB       CYS   7   2.938  -1.079  -1.914
   50    HG   CYS   7           HG       CYS   7   5.985  -1.019  -1.582
   51    H    ARG   8           H        ARG   8   3.102  -4.765  -1.784
   52    HA   ARG   8           HA       ARG   8   0.385  -5.229  -3.126
   53   1HB   ARG   8          2HB       ARG   8   2.564  -7.335  -2.840
   54   2HB   ARG   8          1HB       ARG   8   1.010  -7.338  -3.705
   55   1HG   ARG   8          1HG       ARG   8   1.929  -5.574  -5.317
   56   2HG   ARG   8          2HG       ARG   8   3.471  -5.654  -4.488
   57   1HD   ARG   8          1HD       ARG   8   3.521  -8.203  -5.075
   58   2HD   ARG   8          2HD       ARG   8   2.139  -7.859  -6.153
   59   1HH1  ARG   8          1HH1      ARG   8   4.175  -9.353  -6.714
   60   2HH1  ARG   8          2HH1      ARG   8   5.302  -9.434  -8.169
   61   1HH2  ARG   8          1HH2      ARG   8   5.096  -6.080  -8.543
   62   2HH2  ARG   8          2HH2      ARG   8   5.827  -7.673  -9.142
   63    H    ASN   9           H        ASN   9   2.005  -6.512  -0.436
   64    HA   ASN   9           HA       ASN   9  -0.347  -7.300   1.168
   65   1HB   ASN   9          1HB       ASN   9   1.304  -8.274   2.292
   66   2HB   ASN   9          2HB       ASN   9   2.514  -7.351   1.449
   67   1HD2  ASN   9          2HD2      ASN   9   2.639  -8.231   4.103
   68   2HD2  ASN   9          1HD2      ASN   9   2.762  -6.699   5.111
   69    H    ARG  10           H        ARG  10   1.176  -4.076   0.865
   70    HA   ARG  10           HA       ARG  10  -1.117  -2.700   2.080
   71   1HB   ARG  10          2HB       ARG  10   1.255  -1.041   1.236
   72   2HB   ARG  10          1HB       ARG  10   0.130  -0.923   2.582
   73   1HG   ARG  10          2HG       ARG  10   1.426  -2.838   3.738
   74   2HG   ARG  10          1HG       ARG  10   2.618  -2.768   2.456
   75   1HD   ARG  10          1HD       ARG  10   3.657  -1.018   3.398
   76   2HD   ARG  10          2HD       ARG  10   2.153  -0.104   3.606
   77   1HH1  ARG  10          1HH1      ARG  10   1.675   0.887   5.004
   78   2HH1  ARG  10          2HH1      ARG  10   1.506   1.189   6.814
   79   1HH2  ARG  10          1HH2      ARG  10   2.859  -1.839   7.473
   80   2HH2  ARG  10          2HH2      ARG  10   2.072  -0.304   8.147
   81    H    THR  11           H        THR  11  -0.896  -3.433  -0.407
   82    HA   THR  11           HA       THR  11  -2.326  -1.766  -1.972
   83    HB   THR  11           HB       THR  11  -0.819  -4.121  -2.224
   84    HG1  THR  11           HG1      THR  11   0.209  -3.217  -3.874
   85   1HG2  THR  11          1HG2      THR  11  -2.238  -4.613  -4.750
   86   2HG2  THR  11          2HG2      THR  11  -3.260  -4.725  -3.285
   87   3HG2  THR  11          3HG2      THR  11  -3.160  -3.271  -4.216
   88    H    ARG  12           H        ARG  12  -2.144  -4.636  -0.576
   89    HA   ARG  12           HA       ARG  12  -4.713  -5.642   0.042
   90   1HB   ARG  12          2HB       ARG  12  -3.096  -7.163  -0.155
   91   2HB   ARG  12          1HB       ARG  12  -2.153  -5.864   0.473
   92   1HG   ARG  12          1HG       ARG  12  -3.681  -8.173   1.968
   93   2HG   ARG  12          2HG       ARG  12  -1.983  -7.788   2.203
   94   1HD   ARG  12          1HD       ARG  12  -2.454  -5.943   3.598
   95   2HD   ARG  12          2HD       ARG  12  -4.116  -5.779   3.081
   96   1HH1  ARG  12          1HH1      ARG  12  -1.279  -7.645   4.211
   97   2HH1  ARG  12          2HH1      ARG  12  -1.135  -8.938   5.516
   98   1HH2  ARG  12          1HH2      ARG  12  -4.426  -8.605   6.236
   99   2HH2  ARG  12          2HH2      ARG  12  -2.792  -9.323   6.728
  100    H    HIS  13           H        HIS  13  -2.811  -4.336   2.578
  101    HA   HIS  13           HA       HIS  13  -4.797  -2.495   3.432
  102   1HB   HIS  13          1HB       HIS  13  -2.038  -1.441   3.928
  103   2HB   HIS  13          2HB       HIS  13  -3.203  -1.777   5.175
  104    HD2  HIS  13           HD2      HIS  13  -3.533  -4.800   5.409
  105    HE1  HIS  13           HE1      HIS  13   0.604  -4.963   5.847
  106    HE2  HIS  13           HE2      HIS  13  -1.564  -6.274   6.359
  107    H    LEU  14           H        LEU  14  -3.626  -2.310   0.986
  108    HA   LEU  14           HA       LEU  14  -4.977   0.004   0.580
  109   1HB   LEU  14          1HB       LEU  14  -3.519   0.029  -1.259
  110   2HB   LEU  14          2HB       LEU  14  -3.948  -1.622  -1.533
  111    HG   LEU  14           HG       LEU  14  -6.279  -0.851  -1.930
  112   1HD1  LEU  14          1HD1      LEU  14  -4.650   1.560  -2.842
  113   2HD1  LEU  14          2HD1      LEU  14  -6.373   1.254  -3.305
  114   3HD1  LEU  14          3HD1      LEU  14  -5.952   1.504  -1.599
  115   1HD2  LEU  14          1HD2      LEU  14  -4.049  -0.724  -3.987
  116   2HD2  LEU  14          2HD2      LEU  14  -5.156  -2.110  -3.635
  117   3HD2  LEU  14          3HD2      LEU  14  -5.822  -0.682  -4.393
  118    HA   PRO  15           HA       PRO  15  -8.939  -1.883   0.512
  119   1HB   PRO  15          1HB       PRO  15  -7.619  -4.549   1.445
  120   2HB   PRO  15          2HB       PRO  15  -9.397  -4.379   1.129
  121   1HG   PRO  15          1HG       PRO  15  -8.030  -5.310  -1.046
  122   2HG   PRO  15          2HG       PRO  15  -8.902  -3.772  -1.326
  123   1HD   PRO  15          1HD       PRO  15  -5.984  -4.208  -0.567
  124   2HD   PRO  15          2HD       PRO  15  -6.671  -3.080  -1.845
  125    H    LEU  16           H        LEU  16  -6.641  -1.724   2.281
  126    HA   LEU  16           HA       LEU  16  -8.163  -1.306   4.589
  127   1HB   LEU  16          1HB       LEU  16  -5.383  -1.888   4.601
  128   2HB   LEU  16          2HB       LEU  16  -5.474  -0.195   5.028
  129    HG   LEU  16           HG       LEU  16  -7.441  -1.529   6.661
  130   1HD1  LEU  16          1HD1      LEU  16  -5.981  -3.162   7.943
  131   2HD1  LEU  16          2HD1      LEU  16  -6.182  -3.700   6.268
  132   3HD1  LEU  16          3HD1      LEU  16  -4.663  -2.926   6.769
  133   1HD2  LEU  16          1HD2      LEU  16  -6.111   0.488   7.350
  134   2HD2  LEU  16          2HD2      LEU  16  -5.960  -0.794   8.571
  135   3HD2  LEU  16          3HD2      LEU  16  -4.633  -0.493   7.419
  136    H    GLN  17           H        GLN  17  -9.198  -0.190   2.789
  137    HA   GLN  17           HA       GLN  17  -8.105   2.528   2.000
  138   1HB   GLN  17          1HB       GLN  17  -9.719   2.330   0.096
  139   2HB   GLN  17          2HB       GLN  17  -8.498   1.093   0.152
  140   1HG   GLN  17          1HG       GLN  17 -10.132  -0.500  -0.085
  141   2HG   GLN  17          2HG       GLN  17 -10.731  -0.127   1.515
  142   1HE2  GLN  17          2HE2      GLN  17 -12.173  -1.021  -0.783
  143   2HE2  GLN  17          1HE2      GLN  17 -13.402   0.312  -1.151
  144    H    PHE  18           H        PHE  18  -8.539   3.549   3.784
  145    HA   PHE  18           HA       PHE  18 -10.656   5.629   3.534
  146   1HB   PHE  18          1HB       PHE  18  -7.949   5.118   4.795
  147   2HB   PHE  18          2HB       PHE  18  -7.941   6.669   4.010
  148    HD1  PHE  18           HD1      PHE  18  -9.043   4.780   6.886
  149    HD2  PHE  18           HD2      PHE  18  -9.070   8.583   4.886
  150    HE1  PHE  18           HE1      PHE  18  -9.030   5.849   8.989
  151    HE2  PHE  18           HE2      PHE  18  -9.064   9.708   6.971
  152    HZ   PHE  18           HZ       PHE  18  -9.102   8.396   9.157
  153    H    SER  19           H        SER  19  -7.913   4.568   1.924
  154    HA   SER  19           HA       SER  19  -7.740   6.561  -0.384
  155   1HB   SER  19          1HB       SER  19  -5.481   5.020  -0.325
  156   2HB   SER  19          2HB       SER  19  -5.789   6.720  -0.001
  157    HG   SER  19           HG       SER  19  -5.864   4.690   1.985
  158    H    ARG  20           H        ARG  20  -8.468   5.999  -2.201
  159    HA   ARG  20           HA       ARG  20  -7.967   3.251  -3.300
  160   1HB   ARG  20          1HB       ARG  20 -10.324   4.851  -3.685
  161   2HB   ARG  20          2HB       ARG  20  -9.636   4.489  -5.256
  162   1HG   ARG  20          2HG       ARG  20 -10.706   2.457  -3.204
  163   2HG   ARG  20          1HG       ARG  20 -11.320   2.757  -4.830
  164   1HD   ARG  20          1HD       ARG  20  -9.340   1.726  -5.861
  165   2HD   ARG  20          2HD       ARG  20  -8.486   1.669  -4.324
  166   1HH1  ARG  20          1HH1      ARG  20  -9.133   0.163  -6.772
  167   2HH1  ARG  20          2HH1      ARG  20  -9.743  -1.537  -7.141
  168   1HH2  ARG  20          1HH2      ARG  20 -10.979  -1.799  -4.005
  169   2HH2  ARG  20          2HH2      ARG  20 -10.812  -2.569  -5.681
  170    H    THR  21           H        THR  21  -5.853   3.453  -3.600
  171    HA   THR  21           HA       THR  21  -3.936   4.601  -3.748
  172    HB   THR  21           HB       THR  21  -3.330   5.294  -5.782
  173    HG1  THR  21           HG1      THR  21  -4.480   6.433  -7.254
  174   1HG2  THR  21          1HG2      THR  21  -6.212   4.049  -6.458
  175   2HG2  THR  21          2HG2      THR  21  -4.783   3.915  -7.508
  176   3HG2  THR  21          3HG2      THR  21  -4.846   3.027  -5.962
  177    H    GLY  22           H        GLY  22  -5.648   5.818  -2.026
  178   1HA   GLY  22          1HA       GLY  22  -4.705   8.679  -1.838
  179   2HA   GLY  22          2HA       GLY  22  -5.885   7.896  -0.841
  180    HA   PRO  23           HA       PRO  23  -2.733   6.118  -2.030
  181   1HB   PRO  23          1HB       PRO  23  -0.111   6.217  -1.722
  182   2HB   PRO  23          2HB       PRO  23  -0.999   7.722  -1.570
  183   1HG   PRO  23          1HG       PRO  23   0.028   5.844   0.697
  184   2HG   PRO  23          2HG       PRO  23   0.321   7.595   0.566
  185   1HD   PRO  23          1HD       PRO  23  -1.904   6.398   1.953
  186   2HD   PRO  23          2HD       PRO  23  -1.672   8.116   1.423
  187    H    LEU  24           H        LEU  24  -3.556   3.665  -1.773
  188    HA   LEU  24           HA       LEU  24  -1.110   2.125  -1.161
  189   1HB   LEU  24          1HB       LEU  24  -3.910   1.469  -0.204
  190   2HB   LEU  24          2HB       LEU  24  -2.746   0.346  -0.023
  191    HG   LEU  24           HG       LEU  24  -1.385   2.311   1.305
  192   1HD1  LEU  24          1HD2      LEU  24  -2.798   3.947   2.497
  193   2HD1  LEU  24          2HD2      LEU  24  -3.172   4.127   0.773
  194   3HD1  LEU  24          3HD2      LEU  24  -4.266   3.314   1.860
  195   1HD2  LEU  24          1HD1      LEU  24  -3.881   0.981   2.577
  196   2HD2  LEU  24          2HD1      LEU  24  -2.247   0.249   2.457
  197   3HD2  LEU  24          3HD1      LEU  24  -2.517   1.662   3.491
  198    H    CYS  25           H        CYS  25  -1.108  -0.316  -2.028
  199    HA   CYS  25           HA       CYS  25   0.445   1.517  -1.799
  200   1HB   CYS  25          2HB       CYS  25  -0.085  -0.245  -0.454
  201   2HB   CYS  25          1HB       CYS  25   1.324  -0.575  -1.307
  202    HG   CYS  25           HG       CYS  25   0.784   1.939   0.022
  203    HA   PRO  26           HA       PRO  26   2.817   2.027  -5.075
  204   1HB   PRO  26          1HB       PRO  26   1.535   1.692  -7.646
  205   2HB   PRO  26          2HB       PRO  26   2.930   0.754  -7.065
  206   1HG   PRO  26          1HG       PRO  26   0.374  -0.357  -7.512
  207   2HG   PRO  26          2HG       PRO  26   1.635  -1.049  -6.441
  208   1HD   PRO  26          1HD       PRO  26  -0.634   0.849  -5.613
  209   2HD   PRO  26          2HD       PRO  26  -0.286  -0.798  -4.918
  210    H    ALA  27           H        ALA  27  -0.065   2.616  -3.902
  211    HA   ALA  27           HA       ALA  27  -0.010   5.485  -5.031
  212   1HB   ALA  27          1HB       ALA  27  -2.229   4.620  -4.447
  213   2HB   ALA  27          2HB       ALA  27  -1.666   4.080  -2.859
  214   3HB   ALA  27          3HB       ALA  27  -1.746   5.821  -3.221
  215    H    CYS  28           H        CYS  28   1.898   3.397  -3.269
  216    HA   CYS  28           HA       CYS  28   1.941   4.750  -0.746
  217   1HB   CYS  28          1HB       CYS  28   3.315   3.160   0.131
  218   2HB   CYS  28          2HB       CYS  28   2.562   2.393  -1.212
  219    HG   CYS  28           HG       CYS  28   5.612   2.838  -0.521
  220    H    MET  29           H        MET  29   4.524   5.162  -3.091
  221    HA   MET  29           HA       MET  29   6.769   5.871  -2.502
  222   1HB   MET  29          1HB       MET  29   6.119   7.480  -4.116
  223   2HB   MET  29          2HB       MET  29   4.957   8.257  -3.051
  224   1HG   MET  29          1HG       MET  29   6.678   9.500  -1.891
  225   2HG   MET  29          2HG       MET  29   7.954   8.385  -2.364
  226   1HE   MET  29          1HE       MET  29   9.622   9.054  -3.584
  227   2HE   MET  29          2HE       MET  29   9.079   8.444  -5.178
  228   3HE   MET  29          3HE       MET  29   9.664  10.126  -5.016
  229    H    LYS  30           H        LYS  30   6.046   4.886  -0.297
  230    HA   LYS  30           HA       LYS  30   6.977   6.675   1.848
  231   1HB   LYS  30          1HB       LYS  30   5.516   3.972   1.891
  232   2HB   LYS  30          2HB       LYS  30   6.301   4.586   3.325
  233   1HG   LYS  30          1HG       LYS  30   4.305   5.520   3.842
  234   2HG   LYS  30          2HG       LYS  30   4.840   6.816   2.796
  235   1HD   LYS  30          1HD       LYS  30   3.532   5.720   0.863
  236   2HD   LYS  30          2HD       LYS  30   3.072   4.427   1.916
  237   1HE   LYS  30          1HE       LYS  30   1.936   7.190   1.642
  238   2HE   LYS  30          2HE       LYS  30   1.097   5.747   2.126
  239   1HZ   LYS  30          1HZ       LYS  30   1.182   6.741   4.143
  240   2HZ   LYS  30          2HZ       LYS  30   2.299   7.815   3.707
  241    H    ALA  31           H        ALA  31   8.097   3.785   0.276
  242    HA   ALA  31           HA       ALA  31  10.823   4.156   1.290
  243   1HB   ALA  31          1HB       ALA  31  11.151   1.957   2.453
  244   2HB   ALA  31          2HB       ALA  31   9.924   2.912   3.297
  245   3HB   ALA  31          3HB       ALA  31   9.443   1.543   2.263
  Start of MODEL    3
    1   1H    ILE   1          1H        ILE   1   9.415   1.643   7.263
    2   2H    ILE   1          2H        ILE   1   9.393   3.274   7.238
    3    HA   ILE   1           HA       ILE   1   8.510   3.337   5.046
    4    HB   ILE   1           HB       ILE   1  10.745   1.680   5.081
    5   1HG1  ILE   1          1HG1      ILE   1  11.647   4.446   4.966
    6   2HG1  ILE   1          2HG1      ILE   1  10.708   4.149   6.417
    7   1HG2  ILE   1          1HG2      ILE   1  11.547   2.993   2.997
    8   2HG2  ILE   1          2HG2      ILE   1  10.058   2.085   2.718
    9   3HG2  ILE   1          3HG2      ILE   1   9.975   3.833   3.029
   10   1HD1  ILE   1          1HD1      ILE   1  13.092   3.561   6.849
   11   2HD1  ILE   1          2HD1      ILE   1  12.052   2.118   6.994
   12   3HD1  ILE   1          3HD1      ILE   1  13.050   2.339   5.539
   13    H    CYS   2           H        CYS   2   7.993   2.147   3.036
   14    HA   CYS   2           HA       CYS   2   6.743  -0.481   3.514
   15   1HB   CYS   2          2HB       CYS   2   6.167   1.884   2.093
   16   2HB   CYS   2          1HB       CYS   2   6.114   0.561   0.934
   17    HG   CYS   2           HG       CYS   2   3.752   1.348   2.077
   18    H    GLU   3           H        GLU   3   8.385   0.422   0.557
   19    HA   GLU   3           HA       GLU   3   9.303  -0.923  -1.176
   20   1HB   GLU   3          1HB       GLU   3  10.309  -2.242   1.375
   21   2HB   GLU   3          2HB       GLU   3  10.376  -3.246  -0.068
   22   1HG   GLU   3          2HG       GLU   3  11.818  -0.563   0.501
   23   2HG   GLU   3          1HG       GLU   3  12.543  -2.132   0.167
   24    HE2  GLU   3           HE2      GLU   3  11.744   0.343  -2.747
   25    H    GLU   4           H        GLU   4   8.790  -2.377  -2.636
   26    HA   GLU   4           HA       GLU   4   5.930  -2.884  -2.280
   27   1HB   GLU   4          1HB       GLU   4   6.079  -3.043  -4.895
   28   2HB   GLU   4          2HB       GLU   4   6.512  -1.536  -4.121
   29   1HG   GLU   4          1HG       GLU   4   8.707  -1.631  -4.939
   30   2HG   GLU   4          2HG       GLU   4   8.910  -3.323  -4.495
   31    HE2  GLU   4           HE2      GLU   4   9.085  -3.843  -7.836
   32    HA   PRO   5           HA       PRO   5   5.497  -7.233  -2.583
   33   1HB   PRO   5          1HB       PRO   5   7.386  -8.977  -1.580
   34   2HB   PRO   5          2HB       PRO   5   7.493  -8.444  -3.267
   35   1HG   PRO   5          1HG       PRO   5   9.021  -7.339  -0.852
   36   2HG   PRO   5          2HG       PRO   5   9.685  -7.788  -2.437
   37   1HD   PRO   5          2HD       PRO   5   8.930  -5.138  -1.659
   38   2HD   PRO   5          1HD       PRO   5   9.097  -5.711  -3.355
   39    H    THR   6           H        THR   6   6.365  -4.992  -0.638
   40    HA   THR   6           HA       THR   6   4.990  -6.091   1.862
   41    HB   THR   6           HB       THR   6   6.084  -3.292   1.894
   42    HG1  THR   6           HG1      THR   6   7.587  -5.364   2.977
   43   1HG2  THR   6          1HG2      THR   6   4.986  -3.603   3.952
   44   2HG2  THR   6          2HG2      THR   6   5.125  -5.377   3.893
   45   3HG2  THR   6          3HG2      THR   6   6.512  -4.392   4.397
   46    H    CYS   7           H        CYS   7   4.779  -2.995  -0.003
   47    HA   CYS   7           HA       CYS   7   2.449  -2.534  -0.324
   48   1HB   CYS   7          2HB       CYS   7   4.177  -2.356  -2.722
   49   2HB   CYS   7          1HB       CYS   7   2.889  -1.223  -2.365
   50    HG   CYS   7           HG       CYS   7   5.642  -0.538  -2.149
   51    H    ARG   8           H        ARG   8   3.127  -4.785  -1.935
   52    HA   ARG   8           HA       ARG   8   0.505  -5.203  -3.463
   53   1HB   ARG   8          1HB       ARG   8   1.614  -6.447  -4.818
   54   2HB   ARG   8          2HB       ARG   8   3.097  -6.453  -3.899
   55   1HG   ARG   8          2HG       ARG   8   2.353  -8.471  -2.617
   56   2HG   ARG   8          1HG       ARG   8   0.795  -8.472  -3.422
   57   1HD   ARG   8          1HD       ARG   8   1.849  -9.016  -5.604
   58   2HD   ARG   8          2HD       ARG   8   3.478  -8.807  -4.902
   59   1HH1  ARG   8          1HH1      ARG   8   0.093 -10.018  -4.857
   60   2HH1  ARG   8          2HH1      ARG   8  -0.484 -11.768  -4.832
   61   1HH2  ARG   8          1HH2      ARG   8   2.517 -12.765  -3.634
   62   2HH2  ARG   8          2HH2      ARG   8   0.768 -13.224  -4.032
   63    H    ASN   9           H        ASN   9   2.082  -6.588  -0.853
   64    HA   ASN   9           HA       ASN   9  -0.228  -7.484   0.792
   65   1HB   ASN   9          2HB       ASN   9   2.711  -7.037   1.310
   66   2HB   ASN   9          1HB       ASN   9   1.526  -7.097   2.633
   67   1HD2  ASN   9          2HD2      ASN   9   0.368  -9.056   2.948
   68   2HD2  ASN   9          1HD2      ASN   9   1.081 -10.600   2.246
   69    H    ARG  10           H        ARG  10   1.147  -4.261   0.328
   70    HA   ARG  10           HA       ARG  10  -1.026  -2.817   1.696
   71   1HB   ARG  10          2HB       ARG  10   1.466  -1.353   0.769
   72   2HB   ARG  10          1HB       ARG  10   0.277  -1.038   2.041
   73   1HG   ARG  10          2HG       ARG  10   1.577  -3.337   3.014
   74   2HG   ARG  10          1HG       ARG  10   2.900  -2.504   2.221
   75   1HD   ARG  10          1HD       ARG  10   3.035  -0.968   3.854
   76   2HD   ARG  10          2HD       ARG  10   1.292  -0.649   3.845
   77   1HH1  ARG  10          1HH1      ARG  10   3.656  -0.518   5.575
   78   2HH1  ARG  10          2HH1      ARG  10   3.983  -1.050   7.308
   79   1HH2  ARG  10          1HH2      ARG  10   1.281  -3.093   7.186
   80   2HH2  ARG  10          2HH2      ARG  10   2.648  -2.382   8.214
   81    H    THR  11           H        THR  11  -0.928  -3.524  -0.797
   82    HA   THR  11           HA       THR  11  -2.307  -1.810  -2.337
   83    HB   THR  11           HB       THR  11  -0.845  -4.185  -2.628
   84    HG1  THR  11           HG1      THR  11  -0.372  -1.961  -3.608
   85   1HG2  THR  11          1HG2      THR  11  -2.279  -4.608  -5.162
   86   2HG2  THR  11          2HG2      THR  11  -3.301  -4.725  -3.696
   87   3HG2  THR  11          3HG2      THR  11  -3.174  -3.257  -4.603
   88    H    ARG  12           H        ARG  12  -2.160  -4.740  -1.025
   89    HA   ARG  12           HA       ARG  12  -4.729  -5.636  -0.277
   90   1HB   ARG  12          2HB       ARG  12  -3.150  -7.205  -0.543
   91   2HB   ARG  12          1HB       ARG  12  -2.173  -5.942   0.097
   92   1HG   ARG  12          2HG       ARG  12  -3.831  -8.164   1.561
   93   2HG   ARG  12          1HG       ARG  12  -2.102  -7.972   1.797
   94   1HD   ARG  12          1HD       ARG  12  -2.401  -6.109   3.241
   95   2HD   ARG  12          2HD       ARG  12  -4.035  -5.774   2.719
   96   1HH1  ARG  12          1HH1      ARG  12  -1.369  -7.756   3.979
   97   2HH1  ARG  12          2HH1      ARG  12  -1.317  -8.912   5.413
   98   1HH2  ARG  12          1HH2      ARG  12  -4.682  -8.736   5.711
   99   2HH2  ARG  12          2HH2      ARG  12  -3.087  -9.362   6.414
  100    H    HIS  13           H        HIS  13  -2.681  -4.446   2.162
  101    HA   HIS  13           HA       HIS  13  -4.588  -2.502   3.106
  102   1HB   HIS  13          1HB       HIS  13  -1.471  -2.417   3.405
  103   2HB   HIS  13          2HB       HIS  13  -2.504  -1.279   4.219
  104    HD2  HIS  13           HD2      HIS  13  -1.813  -1.748   6.694
  105    HE1  HIS  13           HE1      HIS  13  -2.828  -5.786   6.895
  106    HE2  HIS  13           HE2      HIS  13  -2.052  -3.791   8.356
  107    H    LEU  14           H        LEU  14  -3.540  -2.309   0.623
  108    HA   LEU  14           HA       LEU  14  -4.865  -0.008   0.257
  109   1HB   LEU  14          1HB       LEU  14  -3.503   0.029  -1.668
  110   2HB   LEU  14          2HB       LEU  14  -3.890  -1.639  -1.901
  111    HG   LEU  14           HG       LEU  14  -6.275  -0.880  -2.190
  112   1HD1  LEU  14          1HD1      LEU  14  -4.656   1.434  -3.339
  113   2HD1  LEU  14          2HD1      LEU  14  -6.403   1.130  -3.701
  114   3HD1  LEU  14          3HD1      LEU  14  -5.899   1.486  -2.037
  115   1HD2  LEU  14          1HD2      LEU  14  -4.145  -0.938  -4.351
  116   2HD2  LEU  14          2HD2      LEU  14  -5.261  -2.270  -3.853
  117   3HD2  LEU  14          3HD2      LEU  14  -5.933  -0.882  -4.678
  118    HA   PRO  15           HA       PRO  15  -8.836  -1.907   0.344
  119   1HB   PRO  15          1HB       PRO  15  -7.440  -4.532   1.285
  120   2HB   PRO  15          2HB       PRO  15  -9.233  -4.396   1.046
  121   1HG   PRO  15          1HG       PRO  15  -7.948  -5.355  -1.166
  122   2HG   PRO  15          2HG       PRO  15  -8.859  -3.839  -1.441
  123   1HD   PRO  15          1HD       PRO  15  -5.903  -4.213  -0.813
  124   2HD   PRO  15          2HD       PRO  15  -6.665  -3.112  -2.072
  125    H    LEU  16           H        LEU  16  -6.486  -1.683   2.036
  126    HA   LEU  16           HA       LEU  16  -7.942  -1.199   4.366
  127   1HB   LEU  16          1HB       LEU  16  -5.242  -1.848   4.447
  128   2HB   LEU  16          2HB       LEU  16  -5.182  -0.105   4.566
  129    HG   LEU  16           HG       LEU  16  -6.994  -1.661   6.459
  130   1HD1  LEU  16          1HD2      LEU  16  -3.969  -1.217   6.843
  131   2HD1  LEU  16          2HD2      LEU  16  -5.065  -1.769   8.129
  132   3HD1  LEU  16          3HD2      LEU  16  -4.791  -2.783   6.688
  133   1HD2  LEU  16          1HD1      LEU  16  -6.364   0.229   8.068
  134   2HD2  LEU  16          2HD1      LEU  16  -5.356   0.965   6.812
  135   3HD2  LEU  16          3HD1      LEU  16  -7.115   0.862   6.582
  136    H    GLN  17           H        GLN  17  -9.050  -0.149   2.568
  137    HA   GLN  17           HA       GLN  17  -8.006   2.561   1.682
  138   1HB   GLN  17          1HB       GLN  17  -9.281   2.304  -0.266
  139   2HB   GLN  17          2HB       GLN  17  -8.615   0.727   0.044
  140   1HG   GLN  17          1HG       GLN  17 -11.038   0.263   1.214
  141   2HG   GLN  17          2HG       GLN  17 -11.561   1.597   0.212
  142   1HE2  GLN  17          2HE2      GLN  17 -12.277  -1.209   0.162
  143   2HE2  GLN  17          1HE2      GLN  17 -11.885  -1.750  -1.559
  144    H    PHE  18           H        PHE  18  -8.407   3.465   3.608
  145    HA   PHE  18           HA       PHE  18 -10.435   5.641   3.452
  146   1HB   PHE  18          1HB       PHE  18  -7.981   4.889   4.914
  147   2HB   PHE  18          2HB       PHE  18  -7.549   6.317   4.023
  148    HD1  PHE  18           HD1      PHE  18 -10.007   5.127   6.571
  149    HD2  PHE  18           HD2      PHE  18  -7.645   8.330   4.951
  150    HE1  PHE  18           HE1      PHE  18 -10.063   6.189   8.676
  151    HE2  PHE  18           HE2      PHE  18  -7.673   9.442   7.041
  152    HZ   PHE  18           HZ       PHE  18  -8.936   8.453   9.025
  153    H    SER  19           H        SER  19  -7.692   4.583   1.839
  154    HA   SER  19           HA       SER  19  -7.418   6.702  -0.345
  155   1HB   SER  19          1HB       SER  19  -5.199   5.137  -0.380
  156   2HB   SER  19          2HB       SER  19  -5.482   6.798   0.117
  157    HG   SER  19           HG       SER  19  -4.722   6.162   1.923
  158    H    ARG  20           H        ARG  20  -8.155   6.267  -2.188
  159    HA   ARG  20           HA       ARG  20  -7.821   3.552  -3.448
  160   1HB   ARG  20          1HB       ARG  20  -9.991   5.408  -3.779
  161   2HB   ARG  20          2HB       ARG  20  -9.300   5.085  -5.354
  162   1HG   ARG  20          2HG       ARG  20 -10.614   3.029  -3.469
  163   2HG   ARG  20          1HG       ARG  20 -11.190   3.536  -5.056
  164   1HD   ARG  20          1HD       ARG  20  -9.292   2.410  -6.182
  165   2HD   ARG  20          2HD       ARG  20  -8.528   2.048  -4.640
  166   1HH1  ARG  20          1HH1      ARG  20  -7.999   0.221  -4.518
  167   2HH1  ARG  20          2HH1      ARG  20  -8.281  -1.558  -4.909
  168   1HH2  ARG  20          1HH2      ARG  20 -11.561  -0.967  -5.424
  169   2HH2  ARG  20          2HH2      ARG  20 -10.259  -2.224  -5.036
  170    H    THR  21           H        THR  21  -5.686   3.571  -3.671
  171    HA   THR  21           HA       THR  21  -3.671   4.585  -3.647
  172    HB   THR  21           HB       THR  21  -2.895   5.270  -5.637
  173    HG1  THR  21           HG1      THR  21  -3.652   6.809  -6.731
  174   1HG2  THR  21          1HG2      THR  21  -5.769   4.105  -6.473
  175   2HG2  THR  21          2HG2      THR  21  -4.284   3.913  -7.434
  176   3HG2  THR  21          3HG2      THR  21  -4.468   3.049  -5.884
  177    H    GLY  22           H        GLY  22  -5.338   5.931  -1.994
  178   1HA   GLY  22          1HA       GLY  22  -4.271   8.729  -1.781
  179   2HA   GLY  22          2HA       GLY  22  -5.444   7.972  -0.756
  180    HA   PRO  23           HA       PRO  23  -2.346   6.183  -2.066
  181   1HB   PRO  23          1HB       PRO  23   0.274   6.078  -1.773
  182   2HB   PRO  23          2HB       PRO  23  -0.506   7.638  -1.586
  183   1HG   PRO  23          1HG       PRO  23   0.377   5.643   0.643
  184   2HG   PRO  23          2HG       PRO  23   0.824   7.362   0.534
  185   1HD   PRO  23          1HD       PRO  23  -1.468   6.380   1.940
  186   2HD   PRO  23          2HD       PRO  23  -1.131   8.063   1.363
  187    H    LEU  24           H        LEU  24  -3.357   3.823  -1.890
  188    HA   LEU  24           HA       LEU  24  -1.057   2.065  -1.336
  189   1HB   LEU  24          1HB       LEU  24  -3.963   1.483  -0.613
  190   2HB   LEU  24          2HB       LEU  24  -2.855   0.308  -0.415
  191    HG   LEU  24           HG       LEU  24  -3.278   1.257   1.760
  192   1HD1  LEU  24          1HD2      LEU  24  -1.148   2.062   2.697
  193   2HD1  LEU  24          2HD2      LEU  24  -0.735   0.927   1.398
  194   3HD1  LEU  24          3HD2      LEU  24  -0.573   2.649   1.185
  195   1HD2  LEU  24          1HD1      LEU  24  -2.560   4.084   0.705
  196   2HD2  LEU  24          2HD1      LEU  24  -4.210   3.494   1.093
  197   3HD2  LEU  24          3HD1      LEU  24  -3.014   3.714   2.383
  198    H    CYS  25           H        CYS  25  -1.127  -0.308  -2.384
  199    HA   CYS  25           HA       CYS  25   0.467   1.513  -2.056
  200   1HB   CYS  25          2HB       CYS  25  -0.229  -0.270  -0.790
  201   2HB   CYS  25          1HB       CYS  25   1.274  -0.556  -1.523
  202    HG   CYS  25           HG       CYS  25   2.572   0.239   0.264
  203    HA   PRO  26           HA       PRO  26   2.966   1.848  -5.283
  204   1HB   PRO  26          1HB       PRO  26   1.591   1.676  -7.828
  205   2HB   PRO  26          2HB       PRO  26   2.958   0.657  -7.317
  206   1HG   PRO  26          1HG       PRO  26   0.366  -0.343  -7.734
  207   2HG   PRO  26          2HG       PRO  26   1.597  -1.095  -6.670
  208   1HD   PRO  26          1HD       PRO  26  -0.564   0.918  -5.814
  209   2HD   PRO  26          2HD       PRO  26  -0.325  -0.757  -5.140
  210    H    ALA  27           H        ALA  27   0.071   2.602  -4.073
  211    HA   ALA  27           HA       ALA  27   0.331   5.491  -5.108
  212   1HB   ALA  27          1HB       ALA  27  -1.923   4.745  -4.493
  213   2HB   ALA  27          2HB       ALA  27  -1.357   4.124  -2.936
  214   3HB   ALA  27          3HB       ALA  27  -1.336   5.876  -3.246
  215    H    CYS  28           H        CYS  28   2.154   3.239  -3.462
  216    HA   CYS  28           HA       CYS  28   2.431   4.639  -0.957
  217   1HB   CYS  28          1HB       CYS  28   2.676   2.409  -0.629
  218   2HB   CYS  28          2HB       CYS  28   3.679   2.196  -2.010
  219    HG   CYS  28           HG       CYS  28   4.341   3.026   1.075
  220    H    MET  29           H        MET  29   3.074   6.771  -1.182
  221    HA   MET  29           HA       MET  29   5.911   7.435  -1.589
  222   1HB   MET  29          1HB       MET  29   3.465   8.880  -0.476
  223   2HB   MET  29          2HB       MET  29   5.052   9.610  -0.279
  224   1HG   MET  29          1HG       MET  29   5.261   9.178  -2.943
  225   2HG   MET  29          2HG       MET  29   3.510   9.025  -2.870
  226   1HE   MET  29          1HE       MET  29   2.239  10.862  -3.708
  227   2HE   MET  29          2HE       MET  29   2.823  12.550  -3.856
  228   3HE   MET  29          3HE       MET  29   3.685  11.227  -4.696
  229    H    LYS  30           H        LYS  30   6.362   5.428  -0.174
  230    HA   LYS  30           HA       LYS  30   7.338   6.323   2.487
  231   1HB   LYS  30          1HB       LYS  30   5.998   3.620   1.842
  232   2HB   LYS  30          2HB       LYS  30   6.706   4.052   3.379
  233   1HG   LYS  30          1HG       LYS  30   4.318   4.313   3.623
  234   2HG   LYS  30          2HG       LYS  30   5.078   5.883   3.748
  235   1HD   LYS  30          1HD       LYS  30   4.396   6.299   1.266
  236   2HD   LYS  30          2HD       LYS  30   3.623   4.753   1.257
  237   1HE   LYS  30          1HE       LYS  30   2.461   7.257   1.938
  238   2HE   LYS  30          2HE       LYS  30   1.657   5.727   2.118
  239   1HZ   LYS  30          1HZ       LYS  30   3.450   7.012   4.152
  240   2HZ   LYS  30          2HZ       LYS  30   2.697   5.608   4.386
  241    H    ALA  31           H        ALA  31  10.407   5.333   0.919
  242    HA   ALA  31           HA       ALA  31   8.750   7.490   2.104
  243   1HB   ALA  31          1HB       ALA  31  10.173   7.950   4.111
  244   2HB   ALA  31          2HB       ALA  31   9.454   6.339   4.242
  245   3HB   ALA  31          3HB       ALA  31  11.170   6.524   3.799
  Start of MODEL    4
    1   1H    ILE   1          1H        ILE   1   8.861   3.007   6.772
    2   2H    ILE   1          2H        ILE   1   9.174   4.547   6.332
    3    HA   ILE   1           HA       ILE   1   8.704   4.148   4.082
    4    HB   ILE   1           HB       ILE   1  10.650   2.761   5.419
    5   1HG1  ILE   1          1HG1      ILE   1  11.424   4.663   3.252
    6   2HG1  ILE   1          2HG1      ILE   1  10.556   5.311   4.630
    7   1HG2  ILE   1          1HG2      ILE   1  11.946   2.025   3.317
    8   2HG2  ILE   1          2HG2      ILE   1  10.471   1.092   3.584
    9   3HG2  ILE   1          3HG2      ILE   1  10.477   2.400   2.381
   10   1HD1  ILE   1          1HD1      ILE   1  13.003   5.353   5.108
   11   2HD1  ILE   1          2HD1      ILE   1  12.157   4.277   6.253
   12   3HD1  ILE   1          3HD1      ILE   1  13.093   3.574   4.915
   13    H    CYS   2           H        CYS   2   8.736   2.070   2.484
   14    HA   CYS   2           HA       CYS   2   6.920  -0.136   3.447
   15   1HB   CYS   2          2HB       CYS   2   6.391   2.023   1.721
   16   2HB   CYS   2          1HB       CYS   2   6.284   0.559   0.753
   17    HG   CYS   2           HG       CYS   2   4.903   0.635   3.700
   18    H    GLU   3           H        GLU   3   8.383   0.200   0.280
   19    HA   GLU   3           HA       GLU   3   9.500  -1.387  -1.115
   20   1HB   GLU   3          1HB       GLU   3   9.973  -2.799   1.603
   21   2HB   GLU   3          2HB       GLU   3  10.555  -3.459   0.080
   22   1HG   GLU   3          2HG       GLU   3  12.143  -1.561  -0.182
   23   2HG   GLU   3          1HG       GLU   3  11.322  -0.613   1.054
   24    HE2  GLU   3           HE2      GLU   3  12.833  -2.139   3.699
   25    H    GLU   4           H        GLU   4   9.096  -3.148  -2.330
   26    HA   GLU   4           HA       GLU   4   6.180  -3.280  -2.372
   27   1HB   GLU   4          1HB       GLU   4   6.532  -3.827  -4.796
   28   2HB   GLU   4          2HB       GLU   4   7.476  -2.455  -4.265
   29   1HG   GLU   4          1HG       GLU   4   9.428  -4.387  -3.961
   30   2HG   GLU   4          2HG       GLU   4   8.438  -5.237  -5.144
   31    HE2  GLU   4           HE2      GLU   4  10.786  -2.249  -6.162
   32    HA   PRO   5           HA       PRO   5   5.180  -7.439  -1.715
   33   1HB   PRO   5          1HB       PRO   5   6.704  -9.198  -0.215
   34   2HB   PRO   5          2HB       PRO   5   7.001  -9.029  -1.955
   35   1HG   PRO   5          1HG       PRO   5   8.499  -7.641   0.336
   36   2HG   PRO   5          2HG       PRO   5   9.208  -8.540  -1.022
   37   1HD   PRO   5          1HD       PRO   5   8.860  -5.756  -0.927
   38   2HD   PRO   5          2HD       PRO   5   8.985  -6.643  -2.486
   39    H    THR   6           H        THR   6   5.925  -4.966  -0.263
   40    HA   THR   6           HA       THR   6   4.614  -5.456   2.458
   41    HB   THR   6           HB       THR   6   6.125  -2.888   1.999
   42    HG1  THR   6           HG1      THR   6   7.283  -4.826   3.569
   43   1HG2  THR   6          1HG2      THR   6   6.338  -3.244   4.615
   44   2HG2  THR   6          2HG2      THR   6   4.737  -2.772   3.992
   45   3HG2  THR   6          3HG2      THR   6   5.057  -4.460   4.433
   46    H    CYS   7           H        CYS   7   4.692  -2.656   0.117
   47    HA   CYS   7           HA       CYS   7   2.405  -2.167  -0.407
   48   1HB   CYS   7          1HB       CYS   7   4.503  -2.424  -2.482
   49   2HB   CYS   7          2HB       CYS   7   3.098  -1.402  -2.716
   50    HG   CYS   7           HG       CYS   7   5.169   0.087  -2.425
   51    H    ARG   8           H        ARG   8   3.153  -4.616  -1.669
   52    HA   ARG   8           HA       ARG   8   0.655  -5.247  -3.322
   53   1HB   ARG   8          1HB       ARG   8   1.820  -6.615  -4.473
   54   2HB   ARG   8          2HB       ARG   8   3.290  -6.407  -3.554
   55   1HG   ARG   8          2HG       ARG   8   2.849  -8.332  -2.155
   56   2HG   ARG   8          1HG       ARG   8   1.155  -8.414  -2.600
   57   1HD   ARG   8          1HD       ARG   8   1.748  -9.185  -4.902
   58   2HD   ARG   8          2HD       ARG   8   3.484  -8.967  -4.544
   59   1HH1  ARG   8          1HH1      ARG   8   1.054 -10.737  -5.456
   60   2HH1  ARG   8          2HH1      ARG   8   0.582 -12.497  -5.180
   61   1HH2  ARG   8          1HH2      ARG   8   2.455 -12.587  -2.365
   62   2HH2  ARG   8          2HH2      ARG   8   1.315 -13.493  -3.510
   63    H    ASN   9           H        ASN   9   2.193  -6.251  -0.562
   64    HA   ASN   9           HA       ASN   9  -0.029  -7.115   1.191
   65   1HB   ASN   9          2HB       ASN   9   2.848  -6.300   1.624
   66   2HB   ASN   9          1HB       ASN   9   1.686  -6.401   2.961
   67   1HD2  ASN   9          2HD2      ASN   9   2.914  -8.122   3.816
   68   2HD2  ASN   9          1HD2      ASN   9   2.752  -9.784   3.046
   69    H    ARG  10           H        ARG  10   1.097  -3.855   0.359
   70    HA   ARG  10           HA       ARG  10  -1.140  -2.517   1.674
   71   1HB   ARG  10          2HB       ARG  10   1.372  -1.073   0.733
   72   2HB   ARG  10          1HB       ARG  10  -0.003  -0.574   1.753
   73   1HG   ARG  10          2HG       ARG  10   1.101  -2.642   3.270
   74   2HG   ARG  10          1HG       ARG  10   2.549  -1.976   2.534
   75   1HD   ARG  10          1HD       ARG  10   1.733   0.329   3.361
   76   2HD   ARG  10          2HD       ARG  10   0.527  -0.552   4.313
   77   1HH1  ARG  10          1HH1      ARG  10   1.235   1.073   5.681
   78   2HH1  ARG  10          2HH1      ARG  10   1.961   1.084   7.375
   79   1HH2  ARG  10          1HH2      ARG  10   4.304  -1.150   6.359
   80   2HH2  ARG  10          2HH2      ARG  10   3.696  -0.047   7.717
   81    H    THR  11           H        THR  11  -0.842  -3.447  -0.786
   82    HA   THR  11           HA       THR  11  -2.313  -1.692  -2.297
   83    HB   THR  11           HB       THR  11  -0.774  -4.006  -2.657
   84    HG1  THR  11           HG1      THR  11  -0.413  -1.763  -3.590
   85   1HG2  THR  11          1HG2      THR  11  -2.183  -4.509  -5.170
   86   2HG2  THR  11          2HG2      THR  11  -3.197  -4.704  -3.708
   87   3HG2  THR  11          3HG2      THR  11  -3.179  -3.230  -4.613
   88    H    ARG  12           H        ARG  12  -2.161  -4.641  -1.028
   89    HA   ARG  12           HA       ARG  12  -4.694  -5.625  -0.471
   90   1HB   ARG  12          2HB       ARG  12  -3.109  -7.206  -0.468
   91   2HB   ARG  12          1HB       ARG  12  -2.162  -5.847   0.060
   92   1HG   ARG  12          2HG       ARG  12  -3.722  -6.447   2.394
   93   2HG   ARG  12          1HG       ARG  12  -3.804  -8.030   1.650
   94   1HD   ARG  12          1HD       ARG  12  -1.022  -7.442   1.846
   95   2HD   ARG  12          2HD       ARG  12  -1.711  -6.917   3.364
   96   1HH1  ARG  12          1HH1      ARG  12  -1.884  -7.676   5.001
   97   2HH1  ARG  12          2HH1      ARG  12  -1.623  -9.123   6.112
   98   1HH2  ARG  12          1HH2      ARG  12  -1.621 -11.202   3.446
   99   2HH2  ARG  12          2HH2      ARG  12  -1.611 -11.038   5.291
  100    H    HIS  13           H        HIS  13  -2.870  -4.511   2.095
  101    HA   HIS  13           HA       HIS  13  -4.778  -2.589   3.021
  102   1HB   HIS  13          1HB       HIS  13  -1.688  -2.420   3.432
  103   2HB   HIS  13          2HB       HIS  13  -2.809  -1.458   4.350
  104    HD2  HIS  13           HD2      HIS  13  -3.488  -5.264   4.056
  105    HE1  HIS  13           HE1      HIS  13  -1.879  -4.646   7.846
  106    HE2  HIS  13           HE2      HIS  13  -2.913  -6.468   6.330
  107    H    LEU  14           H        LEU  14  -3.656  -2.305   0.586
  108    HA   LEU  14           HA       LEU  14  -4.914   0.044   0.304
  109   1HB   LEU  14          1HB       LEU  14  -3.471   0.018  -1.614
  110   2HB   LEU  14          2HB       LEU  14  -4.062  -1.570  -1.952
  111    HG   LEU  14           HG       LEU  14  -6.325  -0.547  -2.222
  112   1HD1  LEU  14          1HD1      LEU  14  -4.472   1.713  -3.096
  113   2HD1  LEU  14          2HD1      LEU  14  -6.231   1.615  -3.508
  114   3HD1  LEU  14          3HD1      LEU  14  -5.732   1.744  -1.810
  115   1HD2  LEU  14          1HD2      LEU  14  -4.162  -0.562  -4.354
  116   2HD2  LEU  14          2HD2      LEU  14  -5.393  -1.843  -4.019
  117   3HD2  LEU  14          3HD2      LEU  14  -5.933  -0.322  -4.693
  118    HA   PRO  15           HA       PRO  15  -8.964  -1.577   0.237
  119   1HB   PRO  15          1HB       PRO  15  -7.848  -4.420   0.862
  120   2HB   PRO  15          2HB       PRO  15  -9.612  -4.074   0.610
  121   1HG   PRO  15          1HG       PRO  15  -8.381  -4.880  -1.685
  122   2HG   PRO  15          2HG       PRO  15  -9.087  -3.238  -1.780
  123   1HD   PRO  15          1HD       PRO  15  -6.236  -4.056  -1.067
  124   2HD   PRO  15          2HD       PRO  15  -6.769  -2.771  -2.272
  125    H    LEU  16           H        LEU  16  -6.627  -1.722   1.932
  126    HA   LEU  16           HA       LEU  16  -8.030  -1.479   4.332
  127   1HB   LEU  16          1HB       LEU  16  -5.168  -1.934   4.036
  128   2HB   LEU  16          2HB       LEU  16  -5.405  -0.454   4.936
  129    HG   LEU  16           HG       LEU  16  -7.091  -1.953   6.400
  130   1HD1  LEU  16          1HD1      LEU  16  -6.215  -4.318   6.678
  131   2HD1  LEU  16          2HD1      LEU  16  -6.836  -4.082   5.037
  132   3HD1  LEU  16          3HD1      LEU  16  -5.083  -4.071   5.325
  133   1HD2  LEU  16          1HD2      LEU  16  -4.996  -0.882   7.292
  134   2HD2  LEU  16          2HD2      LEU  16  -5.192  -2.513   7.971
  135   3HD2  LEU  16          3HD2      LEU  16  -4.026  -2.225   6.654
  136    H    GLN  17           H        GLN  17  -9.113  -0.153   2.703
  137    HA   GLN  17           HA       GLN  17  -7.927   2.577   2.110
  138   1HB   GLN  17          1HB       GLN  17  -8.989   2.500   0.088
  139   2HB   GLN  17          2HB       GLN  17  -8.669   0.811   0.349
  140   1HG   GLN  17          1HG       GLN  17 -11.184   0.651   1.242
  141   2HG   GLN  17          2HG       GLN  17 -11.421   2.222   0.509
  142   1HE2  GLN  17          2HE2      GLN  17  -9.222  -0.098  -0.923
  143   2HE2  GLN  17          1HE2      GLN  17 -10.344  -0.488  -2.341
  144    H    PHE  18           H        PHE  18  -8.286   3.448   3.987
  145    HA   PHE  18           HA       PHE  18 -10.315   5.627   3.967
  146   1HB   PHE  18          1HB       PHE  18  -7.503   4.961   4.995
  147   2HB   PHE  18          2HB       PHE  18  -7.651   6.623   4.511
  148    HD1  PHE  18           HD1      PHE  18  -7.904   8.174   6.002
  149    HD2  PHE  18           HD2      PHE  18  -9.623   4.311   6.764
  150    HE1  PHE  18           HE1      PHE  18  -8.765   9.001   8.042
  151    HE2  PHE  18           HE2      PHE  18 -10.506   5.086   8.824
  152    HZ   PHE  18           HZ       PHE  18  -9.999   7.448   9.651
  153    H    SER  19           H        SER  19  -7.640   4.608   2.219
  154    HA   SER  19           HA       SER  19  -7.459   6.751   0.047
  155   1HB   SER  19          1HB       SER  19  -5.256   5.102  -0.023
  156   2HB   SER  19          2HB       SER  19  -5.487   6.807   0.334
  157    HG   SER  19           HG       SER  19  -5.707   4.801   2.332
  158    H    ARG  20           H        ARG  20  -8.256   6.333  -1.782
  159    HA   ARG  20           HA       ARG  20  -7.894   3.638  -3.055
  160   1HB   ARG  20          1HB       ARG  20 -10.224   5.244  -3.234
  161   2HB   ARG  20          2HB       ARG  20  -9.541   5.202  -4.855
  162   1HG   ARG  20          2HG       ARG  20 -10.588   2.802  -3.241
  163   2HG   ARG  20          1HG       ARG  20 -11.129   3.369  -4.825
  164   1HD   ARG  20          1HD       ARG  20  -8.985   2.664  -5.878
  165   2HD   ARG  20          2HD       ARG  20  -8.321   2.213  -4.313
  166   1HH1  ARG  20          1HH1      ARG  20  -9.419   1.746  -7.306
  167   2HH1  ARG  20          2HH1      ARG  20 -10.112   0.270  -8.164
  168   1HH2  ARG  20          1HH2      ARG  20 -10.974  -1.086  -5.186
  169   2HH2  ARG  20          2HH2      ARG  20 -11.024  -1.221  -7.033
  170    H    THR  21           H        THR  21  -5.787   3.713  -3.448
  171    HA   THR  21           HA       THR  21  -3.812   4.794  -3.493
  172    HB   THR  21           HB       THR  21  -3.172   5.573  -5.495
  173    HG1  THR  21           HG1      THR  21  -4.281   6.791  -6.917
  174   1HG2  THR  21          1HG2      THR  21  -6.066   4.385  -6.220
  175   2HG2  THR  21          2HG2      THR  21  -4.635   4.269  -7.270
  176   3HG2  THR  21          3HG2      THR  21  -4.714   3.331  -5.754
  177    H    GLY  22           H        GLY  22  -5.434   6.019  -1.694
  178   1HA   GLY  22          1HA       GLY  22  -4.375   8.817  -1.407
  179   2HA   GLY  22          2HA       GLY  22  -5.477   8.001  -0.349
  180    HA   PRO  23           HA       PRO  23  -2.482   6.255  -1.926
  181   1HB   PRO  23          1HB       PRO  23   0.158   6.156  -1.813
  182   2HB   PRO  23          2HB       PRO  23  -0.624   7.703  -1.547
  183   1HG   PRO  23          1HG       PRO  23   0.472   5.695   0.570
  184   2HG   PRO  23          2HG       PRO  23   0.830   7.436   0.479
  185   1HD   PRO  23          2HD       PRO  23  -1.230   6.152   1.894
  186   2HD   PRO  23          1HD       PRO  23  -1.182   7.947   1.652
  187    H    LEU  24           H        LEU  24  -3.141   3.900  -2.239
  188    HA   LEU  24           HA       LEU  24  -1.013   2.108  -1.292
  189   1HB   LEU  24          1HB       LEU  24  -3.400   0.631  -0.740
  190   2HB   LEU  24          2HB       LEU  24  -2.276   1.033   0.365
  191    HG   LEU  24           HG       LEU  24  -4.648   1.797   0.872
  192   1HD1  LEU  24          1HD2      LEU  24  -4.204   3.993   1.889
  193   2HD1  LEU  24          2HD2      LEU  24  -2.691   3.072   1.983
  194   3HD1  LEU  24          3HD2      LEU  24  -2.904   4.351   0.819
  195   1HD2  LEU  24          1HD1      LEU  24  -4.199   3.989  -1.276
  196   2HD2  LEU  24          2HD1      LEU  24  -5.367   2.631  -1.387
  197   3HD2  LEU  24          3HD1      LEU  24  -5.600   3.912  -0.185
  198    H    CYS  25           H        CYS  25  -1.005  -0.304  -2.260
  199    HA   CYS  25           HA       CYS  25   0.557   1.597  -2.043
  200   1HB   CYS  25          1HB       CYS  25   0.470  -0.413  -0.907
  201   2HB   CYS  25          2HB       CYS  25   2.071  -0.207  -1.691
  202    HG   CYS  25           HG       CYS  25   0.329   1.583   0.101
  203    HA   PRO  26           HA       PRO  26   2.740   2.217  -5.478
  204   1HB   PRO  26          1HB       PRO  26   1.820   1.864  -7.983
  205   2HB   PRO  26          2HB       PRO  26   2.355   0.388  -7.145
  206   1HG   PRO  26          1HG       PRO  26  -0.486   1.497  -7.413
  207   2HG   PRO  26          2HG       PRO  26   0.113  -0.177  -7.645
  208   1HD   PRO  26          2HD       PRO  26  -0.973   0.879  -5.157
  209   2HD   PRO  26          1HD       PRO  26  -0.146  -0.700  -5.444
  210    H    ALA  27           H        ALA  27  -0.017   2.859  -4.039
  211    HA   ALA  27           HA       ALA  27   0.176   5.741  -5.130
  212   1HB   ALA  27          1HB       ALA  27  -2.080   5.046  -4.476
  213   2HB   ALA  27          2HB       ALA  27  -1.503   4.427  -2.922
  214   3HB   ALA  27          3HB       ALA  27  -1.454   6.177  -3.247
  215    H    CYS  28           H        CYS  28   2.006   3.482  -3.532
  216    HA   CYS  28           HA       CYS  28   2.401   4.871  -1.038
  217   1HB   CYS  28          1HB       CYS  28   2.657   2.638  -0.730
  218   2HB   CYS  28          2HB       CYS  28   3.606   2.431  -2.150
  219    HG   CYS  28           HG       CYS  28   5.726   2.373  -0.972
  220    H    MET  29           H        MET  29   3.055   7.033  -1.322
  221    HA   MET  29           HA       MET  29   5.946   7.576  -1.625
  222   1HB   MET  29          1HB       MET  29   3.509   9.135  -0.651
  223   2HB   MET  29          2HB       MET  29   5.116   9.797  -0.390
  224   1HG   MET  29          1HG       MET  29   5.505  10.105  -2.738
  225   2HG   MET  29          2HG       MET  29   4.385   8.832  -3.209
  226   1HE   MET  29          1HE       MET  29   3.329  11.789  -0.471
  227   2HE   MET  29          2HE       MET  29   4.767  12.227  -1.445
  228   3HE   MET  29          3HE       MET  29   3.213  13.069  -1.715
  229    H    LYS  30           H        LYS  30   6.334   5.593  -0.166
  230    HA   LYS  30           HA       LYS  30   7.057   6.473   2.553
  231   1HB   LYS  30          1HB       LYS  30   6.841   3.630   1.377
  232   2HB   LYS  30          2HB       LYS  30   7.382   3.979   3.001
  233   1HG   LYS  30          1HG       LYS  30   4.805   3.350   2.498
  234   2HG   LYS  30          2HG       LYS  30   5.321   4.312   3.864
  235   1HD   LYS  30          1HD       LYS  30   4.607   6.403   2.748
  236   2HD   LYS  30          2HD       LYS  30   4.548   5.646   1.194
  237   1HE   LYS  30          1HE       LYS  30   2.314   6.210   2.597
  238   2HE   LYS  30          2HE       LYS  30   2.316   4.817   1.558
  239   1HZ   LYS  30          1HZ       LYS  30   1.966   3.593   3.398
  240   2HZ   LYS  30          2HZ       LYS  30   1.918   4.925   4.302
  241    H    ALA  31           H        ALA  31   8.669   5.162  -0.242
  242    HA   ALA  31           HA       ALA  31  11.302   6.166   0.767
  243   1HB   ALA  31          1HB       ALA  31  12.585   4.075   0.246
  244   2HB   ALA  31          2HB       ALA  31  11.400   3.758   1.521
  245   3HB   ALA  31          3HB       ALA  31  11.099   3.199  -0.144
  Start of MODEL    5
    1   1H    ILE   1          1H        ILE   1  10.704   2.530   4.510
    2   2H    ILE   1          2H        ILE   1  10.759   2.534   6.141
    3    HA   ILE   1           HA       ILE   1   8.710   1.446   6.356
    4    HB   ILE   1           HB       ILE   1   9.012   3.870   5.149
    5   1HG1  ILE   1          1HG1      ILE   1   7.308   3.528   7.594
    6   2HG1  ILE   1          2HG1      ILE   1   9.037   3.252   7.682
    7   1HG2  ILE   1          1HG2      ILE   1   6.502   4.512   5.106
    8   2HG2  ILE   1          2HG2      ILE   1   6.914   3.335   3.856
    9   3HG2  ILE   1          3HG2      ILE   1   6.125   2.788   5.352
   10   1HD1  ILE   1          1HD1      ILE   1   8.565   5.654   8.155
   11   2HD1  ILE   1          2HD1      ILE   1   9.548   5.486   6.676
   12   3HD1  ILE   1          3HD1      ILE   1   7.811   5.847   6.541
   13    H    CYS   2           H        CYS   2   7.946   2.415   3.101
   14    HA   CYS   2           HA       CYS   2   7.415  -0.347   2.273
   15   1HB   CYS   2          2HB       CYS   2   6.685   2.381   1.343
   16   2HB   CYS   2          1HB       CYS   2   6.374   1.018   0.281
   17    HG   CYS   2           HG       CYS   2   4.166   1.601   1.392
   18    H    GLU   3           H        GLU   3   8.001  -1.614   0.551
   19    HA   GLU   3           HA       GLU   3   9.560  -0.530  -1.784
   20   1HB   GLU   3          1HB       GLU   3  10.911  -0.786   0.560
   21   2HB   GLU   3          2HB       GLU   3  11.004  -2.482   0.105
   22   1HG   GLU   3          2HG       GLU   3  12.227  -1.795  -2.041
   23   2HG   GLU   3          1HG       GLU   3  12.020  -0.097  -1.619
   24    HE2  GLU   3           HE2      GLU   3  15.308  -1.244  -0.668
   25    H    GLU   4           H        GLU   4   7.539  -1.648  -2.510
   26    HA   GLU   4           HA       GLU   4   6.231  -3.568  -2.993
   27   1HB   GLU   4          1HB       GLU   4   7.244  -4.858  -5.015
   28   2HB   GLU   4          2HB       GLU   4   6.933  -3.148  -5.209
   29   1HG   GLU   4          1HG       GLU   4   9.290  -2.595  -5.283
   30   2HG   GLU   4          2HG       GLU   4   9.771  -4.024  -4.373
   31    HE2  GLU   4           HE2      GLU   4  10.851  -5.073  -7.430
   32    HA   PRO   5           HA       PRO   5   5.351  -7.404  -1.935
   33   1HB   PRO   5          1HB       PRO   5   8.318  -8.383  -1.933
   34   2HB   PRO   5          2HB       PRO   5   6.841  -9.362  -1.960
   35   1HG   PRO   5          1HG       PRO   5   8.134  -8.456  -4.286
   36   2HG   PRO   5          2HG       PRO   5   6.434  -8.969  -4.253
   37   1HD   PRO   5          1HD       PRO   5   7.453  -6.344  -4.813
   38   2HD   PRO   5          2HD       PRO   5   5.713  -6.698  -4.478
   39    H    THR   6           H        THR   6   5.767  -5.187  -0.853
   40    HA   THR   6           HA       THR   6   5.119  -5.918   1.980
   41    HB   THR   6           HB       THR   6   7.045  -3.649   1.506
   42    HG1  THR   6           HG1      THR   6   7.837  -4.462   3.402
   43   1HG2  THR   6          1HG2      THR   6   4.659  -3.643   3.427
   44   2HG2  THR   6          2HG2      THR   6   6.223  -3.033   4.021
   45   3HG2  THR   6          3HG2      THR   6   5.444  -2.270   2.622
   46    H    CYS   7           H        CYS   7   4.855  -2.863   0.036
   47    HA   CYS   7           HA       CYS   7   2.522  -2.399  -0.240
   48   1HB   CYS   7          2HB       CYS   7   4.114  -2.375  -2.739
   49   2HB   CYS   7          1HB       CYS   7   2.950  -1.144  -2.296
   50    HG   CYS   7           HG       CYS   7   5.661  -0.541  -2.437
   51    H    ARG   8           H        ARG   8   3.224  -4.681  -1.813
   52    HA   ARG   8           HA       ARG   8   0.580  -5.215  -3.267
   53   1HB   ARG   8          1HB       ARG   8   1.710  -6.435  -4.627
   54   2HB   ARG   8          2HB       ARG   8   3.205  -6.397  -3.728
   55   1HG   ARG   8          2HG       ARG   8   2.625  -8.436  -2.481
   56   2HG   ARG   8          1HG       ARG   8   0.976  -8.441  -3.078
   57   1HD   ARG   8          1HD       ARG   8   1.710  -9.026  -5.356
   58   2HD   ARG   8          2HD       ARG   8   3.420  -8.736  -4.929
   59   1HH1  ARG   8          1HH1      ARG   8   0.310 -10.279  -5.037
   60   2HH1  ARG   8          2HH1      ARG   8  -0.147 -12.052  -4.825
   61   1HH2  ARG   8          1HH2      ARG   8   2.868 -12.690  -3.431
   62   2HH2  ARG   8          2HH2      ARG   8   1.203 -13.344  -3.913
   63    H    ASN   9           H        ASN   9   2.276  -6.414  -0.662
   64    HA   ASN   9           HA       ASN   9   0.079  -7.398   1.056
   65   1HB   ASN   9          1HB       ASN   9   1.996  -8.203   1.864
   66   2HB   ASN   9          2HB       ASN   9   2.978  -6.875   1.310
   67   1HD2  ASN   9          2HD2      ASN   9   0.211  -7.027   3.600
   68   2HD2  ASN   9          1HD2      ASN   9   1.210  -6.284   4.953
   69    H    ARG  10           H        ARG  10   1.278  -4.139   0.507
   70    HA   ARG  10           HA       ARG  10  -0.925  -2.713   1.851
   71   1HB   ARG  10          2HB       ARG  10   1.480  -1.166   0.880
   72   2HB   ARG  10          1HB       ARG  10   0.378  -0.953   2.242
   73   1HG   ARG  10          1HG       ARG  10   1.806  -3.219   3.080
   74   2HG   ARG  10          2HG       ARG  10   3.023  -2.395   2.123
   75   1HD   ARG  10          1HD       ARG  10   3.153  -0.582   3.547
   76   2HD   ARG  10          2HD       ARG  10   1.497  -0.767   4.148
   77   1HH1  ARG  10          1HH1      ARG  10   3.762   0.213   5.337
   78   2HH1  ARG  10          2HH1      ARG  10   4.502  -0.103   6.995
   79   1HH2  ARG  10          1HH2      ARG  10   3.227  -3.233   6.994
   80   2HH2  ARG  10          2HH2      ARG  10   4.263  -1.974   7.872
   81    H    THR  11           H        THR  11  -0.811  -3.448  -0.640
   82    HA   THR  11           HA       THR  11  -2.269  -1.787  -2.169
   83    HB   THR  11           HB       THR  11  -0.746  -4.127  -2.471
   84    HG1  THR  11           HG1      THR  11  -0.604  -3.038  -4.863
   85   1HG2  THR  11          1HG2      THR  11  -2.185  -4.579  -4.996
   86   2HG2  THR  11          2HG2      THR  11  -3.194  -4.721  -3.524
   87   3HG2  THR  11          3HG2      THR  11  -3.108  -3.250  -4.430
   88    H    ARG  12           H        ARG  12  -2.014  -4.714  -0.875
   89    HA   ARG  12           HA       ARG  12  -4.529  -5.657  -0.010
   90   1HB   ARG  12          2HB       ARG  12  -2.890  -7.171  -0.306
   91   2HB   ARG  12          1HB       ARG  12  -1.960  -5.877   0.334
   92   1HG   ARG  12          2HG       ARG  12  -3.586  -8.114   1.799
   93   2HG   ARG  12          1HG       ARG  12  -1.861  -7.908   2.048
   94   1HD   ARG  12          1HD       ARG  12  -2.217  -5.935   3.402
   95   2HD   ARG  12          2HD       ARG  12  -3.904  -5.797   2.969
   96   1HH1  ARG  12          1HH1      ARG  12  -5.524  -6.198   3.750
   97   2HH1  ARG  12          2HH1      ARG  12  -6.480  -6.898   5.162
   98   1HH2  ARG  12          1HH2      ARG  12  -3.961  -9.079   5.782
   99   2HH2  ARG  12          2HH2      ARG  12  -5.672  -8.516   6.212
  100    H    HIS  13           H        HIS  13  -2.422  -4.317   2.272
  101    HA   HIS  13           HA       HIS  13  -4.373  -2.447   3.287
  102   1HB   HIS  13          1HB       HIS  13  -1.252  -2.159   3.403
  103   2HB   HIS  13          2HB       HIS  13  -2.315  -1.094   4.275
  104    HD2  HIS  13           HD2      HIS  13  -1.745  -5.006   4.400
  105    HE1  HIS  13           HE1      HIS  13  -1.589  -3.509   8.281
  106    HE2  HIS  13           HE2      HIS  13  -1.313  -5.683   6.911
  107    H    LEU  14           H        LEU  14  -3.442  -2.268   0.755
  108    HA   LEU  14           HA       LEU  14  -4.849  -0.008   0.411
  109   1HB   LEU  14          1HB       LEU  14  -3.531   0.024  -1.560
  110   2HB   LEU  14          2HB       LEU  14  -3.894  -1.653  -1.772
  111    HG   LEU  14           HG       LEU  14  -6.307  -0.894  -2.008
  112   1HD1  LEU  14          1HD1      LEU  14  -4.678   1.350  -3.284
  113   2HD1  LEU  14          2HD1      LEU  14  -6.439   1.064  -3.588
  114   3HD1  LEU  14          3HD1      LEU  14  -5.886   1.477  -1.953
  115   1HD2  LEU  14          1HD2      LEU  14  -4.228  -1.053  -4.213
  116   2HD2  LEU  14          2HD2      LEU  14  -5.343  -2.356  -3.641
  117   3HD2  LEU  14          3HD2      LEU  14  -6.023  -0.993  -4.498
  118    HA   PRO  15           HA       PRO  15  -8.766  -2.025   0.649
  119   1HB   PRO  15          1HB       PRO  15  -7.307  -4.672   1.436
  120   2HB   PRO  15          2HB       PRO  15  -9.108  -4.550   1.246
  121   1HG   PRO  15          1HG       PRO  15  -7.880  -5.410  -1.032
  122   2HG   PRO  15          2HG       PRO  15  -8.798  -3.887  -1.228
  123   1HD   PRO  15          1HD       PRO  15  -5.826  -4.271  -0.655
  124   2HD   PRO  15          2HD       PRO  15  -6.601  -3.146  -1.888
  125    H    LEU  16           H        LEU  16  -6.315  -1.809   2.209
  126    HA   LEU  16           HA       LEU  16  -7.678  -1.412   4.650
  127   1HB   LEU  16          1HB       LEU  16  -4.938  -2.060   4.504
  128   2HB   LEU  16          2HB       LEU  16  -4.914  -0.336   4.792
  129    HG   LEU  16           HG       LEU  16  -6.762  -1.725   6.658
  130   1HD1  LEU  16          1HD2      LEU  16  -3.769  -2.464   6.738
  131   2HD1  LEU  16          2HD2      LEU  16  -4.907  -2.778   8.067
  132   3HD1  LEU  16          3HD2      LEU  16  -5.123  -3.586   6.492
  133   1HD2  LEU  16          1HD1      LEU  16  -5.363  -0.465   8.401
  134   2HD2  LEU  16          2HD1      LEU  16  -4.240   0.048   7.131
  135   3HD2  LEU  16          3HD1      LEU  16  -5.923   0.620   7.103
  136    H    GLN  17           H        GLN  17  -8.840  -0.314   2.922
  137    HA   GLN  17           HA       GLN  17  -7.830   2.405   2.024
  138   1HB   GLN  17          1HB       GLN  17  -9.088   2.151   0.136
  139   2HB   GLN  17          2HB       GLN  17  -8.703   0.491   0.481
  140   1HG   GLN  17          1HG       GLN  17 -11.120   0.443   1.701
  141   2HG   GLN  17          2HG       GLN  17 -11.446   1.875   0.753
  142   1HE2  GLN  17          2HE2      GLN  17 -12.036   1.605  -1.327
  143   2HE2  GLN  17          1HE2      GLN  17 -12.024  -0.034  -2.177
  144    H    PHE  18           H        PHE  18  -8.028   3.322   3.925
  145    HA   PHE  18           HA       PHE  18 -10.073   5.484   4.021
  146   1HB   PHE  18          1HB       PHE  18  -7.108   4.936   4.712
  147   2HB   PHE  18          2HB       PHE  18  -7.472   6.598   4.356
  148    HD1  PHE  18           HD1      PHE  18  -8.298   8.090   5.896
  149    HD2  PHE  18           HD2      PHE  18  -8.298   3.882   6.766
  150    HE1  PHE  18           HE1      PHE  18  -8.927   8.586   8.121
  151    HE2  PHE  18           HE2      PHE  18  -8.925   4.323   9.012
  152    HZ   PHE  18           HZ       PHE  18  -9.107   6.724   9.861
  153    H    SER  19           H        SER  19  -7.547   4.439   2.079
  154    HA   SER  19           HA       SER  19  -7.569   6.533  -0.146
  155   1HB   SER  19          1HB       SER  19  -5.325   4.957  -0.333
  156   2HB   SER  19          2HB       SER  19  -5.585   6.658   0.026
  157    HG   SER  19           HG       SER  19  -5.307   6.410   2.083
  158    H    ARG  20           H        ARG  20  -8.450   6.033  -1.928
  159    HA   ARG  20           HA       ARG  20  -8.059   3.319  -3.145
  160   1HB   ARG  20          2HB       ARG  20 -10.616   4.052  -3.069
  161   2HB   ARG  20          1HB       ARG  20 -10.057   5.222  -4.245
  162   1HG   ARG  20          1HG       ARG  20 -11.186   3.178  -5.305
  163   2HG   ARG  20          2HG       ARG  20  -9.549   3.450  -5.898
  164   1HD   ARG  20          1HD       ARG  20  -8.749   1.714  -4.120
  165   2HD   ARG  20          2HD       ARG  20 -10.447   1.331  -3.868
  166   1HH1  ARG  20          1HH1      ARG  20  -7.494   1.975  -5.728
  167   2HH1  ARG  20          2HH1      ARG  20  -6.877   1.249  -7.307
  168   1HH2  ARG  20          1HH2      ARG  20  -9.588  -0.776  -7.438
  169   2HH2  ARG  20          2HH2      ARG  20  -7.987  -0.266  -8.218
  170    H    THR  21           H        THR  21  -5.974   3.561  -3.587
  171    HA   THR  21           HA       THR  21  -4.081   4.699  -3.896
  172    HB   THR  21           HB       THR  21  -3.658   5.478  -5.950
  173    HG1  THR  21           HG1      THR  21  -4.922   6.670  -7.260
  174   1HG2  THR  21          1HG2      THR  21  -6.578   4.220  -6.405
  175   2HG2  THR  21          2HG2      THR  21  -5.248   4.138  -7.584
  176   3HG2  THR  21          3HG2      THR  21  -5.163   3.200  -6.068
  177    H    GLY  22           H        GLY  22  -5.628   5.860  -1.991
  178   1HA   GLY  22          1HA       GLY  22  -4.722   8.720  -1.790
  179   2HA   GLY  22          2HA       GLY  22  -5.733   7.862  -0.677
  180    HA   PRO  23           HA       PRO  23  -2.745   6.085  -2.243
  181   1HB   PRO  23          1HB       PRO  23  -0.114   6.157  -2.254
  182   2HB   PRO  23          2HB       PRO  23  -0.960   7.677  -2.033
  183   1HG   PRO  23          1HG       PRO  23   0.322   5.842   0.136
  184   2HG   PRO  23          2HG       PRO  23   0.606   7.586  -0.070
  185   1HD   PRO  23          1HD       PRO  23  -1.441   6.435   1.604
  186   2HD   PRO  23          2HD       PRO  23  -1.261   8.141   1.020
  187    H    LEU  24           H        LEU  24  -3.484   3.673  -2.003
  188    HA   LEU  24           HA       LEU  24  -1.067   2.103  -1.375
  189   1HB   LEU  24          1HB       LEU  24  -3.926   1.542  -0.480
  190   2HB   LEU  24          2HB       LEU  24  -2.862   0.317  -0.355
  191    HG   LEU  24           HG       LEU  24  -2.969   1.242   1.839
  192   1HD1  LEU  24          1HD2      LEU  24  -0.788   2.156   2.523
  193   2HD1  LEU  24          2HD2      LEU  24  -0.474   1.045   1.177
  194   3HD1  LEU  24          3HD2      LEU  24  -0.428   2.773   0.957
  195   1HD2  LEU  24          1HD1      LEU  24  -2.530   4.102   0.718
  196   2HD2  LEU  24          2HD1      LEU  24  -4.090   3.427   1.294
  197   3HD2  LEU  24          3HD1      LEU  24  -2.764   3.711   2.436
  198    H    CYS  25           H        CYS  25  -1.043  -0.336  -2.227
  199    HA   CYS  25           HA       CYS  25   0.490   1.514  -2.041
  200   1HB   CYS  25          2HB       CYS  25  -0.012  -0.268  -0.702
  201   2HB   CYS  25          1HB       CYS  25   1.413  -0.539  -1.563
  202    HG   CYS  25           HG       CYS  25   0.836   1.941  -0.224
  203    HA   PRO  26           HA       PRO  26   2.807   1.970  -5.363
  204   1HB   PRO  26          1HB       PRO  26   2.061   1.484  -7.895
  205   2HB   PRO  26          2HB       PRO  26   2.533   0.049  -6.955
  206   1HG   PRO  26          1HG       PRO  26  -0.283   1.160  -7.432
  207   2HG   PRO  26          2HG       PRO  26   0.319  -0.522  -7.592
  208   1HD   PRO  26          2HD       PRO  26  -0.902   0.571  -5.197
  209   2HD   PRO  26          1HD       PRO  26  -0.019  -0.992  -5.399
  210    H    ALA  27           H        ALA  27  -0.042   2.595  -4.148
  211    HA   ALA  27           HA       ALA  27   0.024   5.440  -5.337
  212   1HB   ALA  27          1HB       ALA  27  -2.185   4.618  -4.660
  213   2HB   ALA  27          2HB       ALA  27  -1.574   4.101  -3.083
  214   3HB   ALA  27          3HB       ALA  27  -1.642   5.836  -3.476
  215    H    CYS  28           H        CYS  28   1.931   3.346  -3.568
  216    HA   CYS  28           HA       CYS  28   2.129   4.825  -1.117
  217   1HB   CYS  28          1HB       CYS  28   2.761   2.876  -0.383
  218   2HB   CYS  28          2HB       CYS  28   3.045   2.347  -1.995
  219    HG   CYS  28           HG       CYS  28   5.483   2.229  -1.875
  220    H    MET  29           H        MET  29   2.968   6.555  -0.454
  221    HA   MET  29           HA       MET  29   5.524   7.696  -1.651
  222   1HB   MET  29          1HB       MET  29   3.252   9.041  -1.982
  223   2HB   MET  29          2HB       MET  29   3.456   9.488  -0.295
  224   1HG   MET  29          1HG       MET  29   5.408  10.807  -0.753
  225   2HG   MET  29          2HG       MET  29   5.821   9.904  -2.205
  226   1HE   MET  29          1HE       MET  29   6.095  12.812  -2.153
  227   2HE   MET  29          2HE       MET  29   6.088  12.243  -3.852
  228   3HE   MET  29          3HE       MET  29   5.062  13.625  -3.366
  229    H    LYS  30           H        LYS  30   5.937   5.857  -0.014
  230    HA   LYS  30           HA       LYS  30   6.422   6.876   2.707
  231   1HB   LYS  30          1HB       LYS  30   6.545   3.912   1.896
  232   2HB   LYS  30          2HB       LYS  30   6.343   4.598   3.490
  233   1HG   LYS  30          1HG       LYS  30   4.241   3.983   1.506
  234   2HG   LYS  30          2HG       LYS  30   4.160   4.104   3.250
  235   1HD   LYS  30          1HD       LYS  30   4.010   6.665   3.013
  236   2HD   LYS  30          2HD       LYS  30   4.160   6.511   1.298
  237   1HE   LYS  30          1HE       LYS  30   1.763   6.748   2.638
  238   2HE   LYS  30          2HE       LYS  30   1.839   6.045   1.051
  239   1HZ   LYS  30          1HZ       LYS  30   1.579   3.936   1.951
  240   2HZ   LYS  30          2HZ       LYS  30   0.740   4.792   3.026
  241    H    ALA  31           H        ALA  31   8.453   4.191   1.791
  242    HA   ALA  31           HA       ALA  31  10.852   5.974   2.478
  243   1HB   ALA  31          1HB       ALA  31  11.890   4.021   3.661
  244   2HB   ALA  31          2HB       ALA  31  10.363   4.458   4.438
  245   3HB   ALA  31          3HB       ALA  31  10.456   3.025   3.384
  Start of MODEL    6
    1   1H    ILE   1          1H        ILE   1   9.202   4.201   6.041
    2   2H    ILE   1          2H        ILE   1   9.395   5.498   5.070
    3    HA   ILE   1           HA       ILE   1   9.015   4.233   3.119
    4    HB   ILE   1           HB       ILE   1  10.973   3.023   4.686
    5   1HG1  ILE   1          1HG1      ILE   1  12.212   5.097   3.073
    6   2HG1  ILE   1          2HG1      ILE   1  10.947   5.771   4.082
    7   1HG2  ILE   1          1HG2      ILE   1  12.338   2.725   2.508
    8   2HG2  ILE   1          2HG2      ILE   1  10.843   1.785   2.526
    9   3HG2  ILE   1          3HG2      ILE   1  10.905   3.319   1.630
   10   1HD1  ILE   1          1HD1      ILE   1  13.080   5.715   5.371
   11   2HD1  ILE   1          2HD1      ILE   1  11.855   4.667   6.137
   12   3HD1  ILE   1          3HD1      ILE   1  13.169   3.935   5.188
   13    H    CYS   2           H        CYS   2   8.808   2.183   2.101
   14    HA   CYS   2           HA       CYS   2   7.154   0.151   3.579
   15   1HB   CYS   2          2HB       CYS   2   6.423   2.134   1.830
   16   2HB   CYS   2          1HB       CYS   2   6.340   0.682   0.835
   17    HG   CYS   2           HG       CYS   2   4.013   1.535   1.950
   18    H    GLU   3           H        GLU   3   8.666   0.108   0.405
   19    HA   GLU   3           HA       GLU   3   9.721  -1.641  -0.816
   20   1HB   GLU   3          1HB       GLU   3  10.860  -1.951   1.611
   21   2HB   GLU   3          2HB       GLU   3   9.828  -3.369   1.732
   22   1HG   GLU   3          2HG       GLU   3  10.971  -4.032  -0.641
   23   2HG   GLU   3          1HG       GLU   3  12.154  -2.797  -0.219
   24    HE2  GLU   3           HE2      GLU   3  13.748  -5.541   1.069
   25    H    GLU   4           H        GLU   4   9.182  -3.267  -2.072
   26    HA   GLU   4           HA       GLU   4   6.257  -3.339  -2.094
   27   1HB   GLU   4          1HB       GLU   4   6.589  -3.787  -4.545
   28   2HB   GLU   4          2HB       GLU   4   7.549  -2.447  -3.962
   29   1HG   GLU   4          1HG       GLU   4   9.619  -3.995  -3.917
   30   2HG   GLU   4          2HG       GLU   4   8.629  -5.312  -4.538
   31    HE2  GLU   4           HE2      GLU   4   9.669  -4.385  -7.608
   32    HA   PRO   5           HA       PRO   5   5.203  -7.528  -1.645
   33   1HB   PRO   5          1HB       PRO   5   6.713  -9.366  -0.233
   34   2HB   PRO   5          2HB       PRO   5   7.012  -9.133  -1.965
   35   1HG   PRO   5          1HG       PRO   5   8.557  -7.929   0.388
   36   2HG   PRO   5          2HG       PRO   5   9.227  -8.688  -1.072
   37   1HD   PRO   5          2HD       PRO   5   8.836  -5.865  -0.680
   38   2HD   PRO   5          1HD       PRO   5   9.070  -6.680  -2.266
   39    H    THR   6           H        THR   6   6.169  -5.129  -0.059
   40    HA   THR   6           HA       THR   6   4.662  -5.670   2.545
   41    HB   THR   6           HB       THR   6   5.992  -3.005   2.165
   42    HG1  THR   6           HG1      THR   6   7.395  -4.717   3.708
   43   1HG2  THR   6          1HG2      THR   6   4.986  -4.734   4.495
   44   2HG2  THR   6          2HG2      THR   6   6.272  -3.537   4.790
   45   3HG2  THR   6          3HG2      THR   6   4.690  -3.012   4.182
   46    H    CYS   7           H        CYS   7   4.770  -2.914   0.205
   47    HA   CYS   7           HA       CYS   7   2.489  -2.319  -0.267
   48   1HB   CYS   7          2HB       CYS   7   4.567  -2.604  -2.374
   49   2HB   CYS   7          1HB       CYS   7   3.252  -1.465  -2.565
   50    HG   CYS   7           HG       CYS   7   4.776  -0.994   0.193
   51    H    ARG   8           H        ARG   8   3.150  -4.714  -1.719
   52    HA   ARG   8           HA       ARG   8   0.565  -5.272  -3.285
   53   1HB   ARG   8          2HB       ARG   8   2.813  -7.279  -2.878
   54   2HB   ARG   8          1HB       ARG   8   1.341  -7.317  -3.875
   55   1HG   ARG   8          1HG       ARG   8   2.345  -5.431  -5.322
   56   2HG   ARG   8          2HG       ARG   8   3.816  -5.553  -4.376
   57   1HD   ARG   8          1HD       ARG   8   4.049  -7.998  -5.106
   58   2HD   ARG   8          2HD       ARG   8   2.628  -7.758  -6.160
   59   1HH1  ARG   8          1HH1      ARG   8   3.292  -8.612  -7.753
   60   2HH1  ARG   8          2HH1      ARG   8   4.070  -8.385  -9.409
   61   1HH2  ARG   8          1HH2      ARG   8   6.003  -5.900  -8.165
   62   2HH2  ARG   8          2HH2      ARG   8   5.592  -6.976  -9.615
   63    H    ASN   9           H        ASN   9   2.193  -6.353  -0.578
   64    HA   ASN   9           HA       ASN   9  -0.037  -7.267   1.137
   65   1HB   ASN   9          1HB       ASN   9   1.908  -8.064   1.906
   66   2HB   ASN   9          2HB       ASN   9   2.859  -6.679   1.440
   67   1HD2  ASN   9          2HD2      ASN   9   3.810  -7.159   3.569
   68   2HD2  ASN   9          1HD2      ASN   9   2.981  -6.387   5.017
   69    H    ARG  10           H        ARG  10   1.118  -3.993   0.439
   70    HA   ARG  10           HA       ARG  10  -1.036  -2.624   1.850
   71   1HB   ARG  10          2HB       ARG  10   1.455  -1.195   0.853
   72   2HB   ARG  10          1HB       ARG  10   0.176  -0.748   2.002
   73   1HG   ARG  10          1HG       ARG  10   2.755  -2.225   2.493
   74   2HG   ARG  10          2HG       ARG  10   1.861  -1.138   3.540
   75   1HD   ARG  10          1HD       ARG  10   0.137  -3.232   3.561
   76   2HD   ARG  10          2HD       ARG  10   1.650  -4.105   3.261
   77   1HH1  ARG  10          1HH1      ARG  10   0.183  -1.078   4.594
   78   2HH1  ARG  10          2HH1      ARG  10   0.611  -0.163   6.136
   79   1HH2  ARG  10          1HH2      ARG  10   2.404  -2.812   7.234
   80   2HH2  ARG  10          2HH2      ARG  10   1.743  -1.120   7.593
   81    H    THR  11           H        THR  11  -0.775  -3.472  -0.636
   82    HA   THR  11           HA       THR  11  -2.292  -1.711  -2.086
   83    HB   THR  11           HB       THR  11  -0.777  -4.023  -2.499
   84    HG1  THR  11           HG1      THR  11   0.148  -2.960  -4.091
   85   1HG2  THR  11          1HG2      THR  11  -2.259  -4.503  -4.968
   86   2HG2  THR  11          2HG2      THR  11  -3.235  -4.702  -3.480
   87   3HG2  THR  11          3HG2      THR  11  -3.232  -3.222  -4.375
   88    H    ARG  12           H        ARG  12  -2.113  -4.648  -0.828
   89    HA   ARG  12           HA       ARG  12  -4.625  -5.606  -0.110
   90   1HB   ARG  12          2HB       ARG  12  -3.005  -7.143  -0.308
   91   2HB   ARG  12          1HB       ARG  12  -2.059  -5.831   0.310
   92   1HG   ARG  12          1HG       ARG  12  -3.533  -8.159   1.830
   93   2HG   ARG  12          2HG       ARG  12  -1.837  -7.741   2.024
   94   1HD   ARG  12          1HD       ARG  12  -2.355  -5.818   3.365
   95   2HD   ARG  12          2HD       ARG  12  -4.061  -5.857   2.988
   96   1HH1  ARG  12          1HH1      ARG  12  -5.435  -6.026   4.145
   97   2HH1  ARG  12          2HH1      ARG  12  -6.210  -6.707   5.672
   98   1HH2  ARG  12          1HH2      ARG  12  -3.710  -8.978   5.940
   99   2HH2  ARG  12          2HH2      ARG  12  -5.356  -8.397   6.558
  100    H    HIS  13           H        HIS  13  -2.685  -4.356   2.379
  101    HA   HIS  13           HA       HIS  13  -4.643  -2.469   3.295
  102   1HB   HIS  13          1HB       HIS  13  -1.538  -2.280   3.637
  103   2HB   HIS  13          2HB       HIS  13  -2.628  -1.217   4.479
  104    HD2  HIS  13           HD2      HIS  13  -3.855  -4.797   4.695
  105    HE1  HIS  13           HE1      HIS  13  -1.469  -4.311   8.071
  106    HE2  HIS  13           HE2      HIS  13  -3.122  -5.951   6.949
  107    H    LEU  14           H        LEU  14  -3.578  -2.257   0.823
  108    HA   LEU  14           HA       LEU  14  -4.884   0.072   0.491
  109   1HB   LEU  14          1HB       LEU  14  -3.494   0.054  -1.443
  110   2HB   LEU  14          2HB       LEU  14  -3.958  -1.591  -1.697
  111    HG   LEU  14           HG       LEU  14  -6.309  -0.669  -1.995
  112   1HD1  LEU  14          1HD1      LEU  14  -4.488   1.480  -3.173
  113   2HD1  LEU  14          2HD1      LEU  14  -6.254   1.322  -3.538
  114   3HD1  LEU  14          3HD1      LEU  14  -5.727   1.668  -1.879
  115   1HD2  LEU  14          1HD2      LEU  14  -4.171  -0.927  -4.133
  116   2HD2  LEU  14          2HD2      LEU  14  -5.385  -2.166  -3.625
  117   3HD2  LEU  14          3HD2      LEU  14  -5.949  -0.746  -4.476
  118    HA   PRO  15           HA       PRO  15  -8.901  -1.698   0.565
  119   1HB   PRO  15          1HB       PRO  15  -7.661  -4.449   1.309
  120   2HB   PRO  15          2HB       PRO  15  -9.442  -4.193   1.074
  121   1HG   PRO  15          1HG       PRO  15  -8.210  -5.080  -1.193
  122   2HG   PRO  15          2HG       PRO  15  -9.011  -3.490  -1.371
  123   1HD   PRO  15          1HD       PRO  15  -6.098  -4.105  -0.711
  124   2HD   PRO  15          2HD       PRO  15  -6.743  -2.901  -1.946
  125    H    LEU  16           H        LEU  16  -6.518  -1.666   2.213
  126    HA   LEU  16           HA       LEU  16  -7.931  -1.326   4.630
  127   1HB   LEU  16          1HB       LEU  16  -5.198  -1.924   4.549
  128   2HB   LEU  16          2HB       LEU  16  -5.187  -0.198   4.828
  129    HG   LEU  16           HG       LEU  16  -7.065  -1.606   6.651
  130   1HD1  LEU  16          1HD2      LEU  16  -4.064  -2.285   6.814
  131   2HD1  LEU  16          2HD2      LEU  16  -5.230  -2.615   8.113
  132   3HD1  LEU  16          3HD2      LEU  16  -5.390  -3.433   6.537
  133   1HD2  LEU  16          1HD1      LEU  16  -5.748  -0.311   8.426
  134   2HD2  LEU  16          2HD1      LEU  16  -4.598   0.219   7.187
  135   3HD2  LEU  16          3HD1      LEU  16  -6.290   0.757   7.107
  136    H    GLN  17           H        GLN  17  -9.134  -0.169   2.962
  137    HA   GLN  17           HA       GLN  17  -8.022   2.493   2.035
  138   1HB   GLN  17          1HB       GLN  17  -9.309   2.243   0.108
  139   2HB   GLN  17          2HB       GLN  17  -8.738   0.636   0.446
  140   1HG   GLN  17          1HG       GLN  17 -11.199   0.402   1.666
  141   2HG   GLN  17          2HG       GLN  17 -11.618   1.681   0.551
  142   1HE2  GLN  17          2HE2      GLN  17 -10.443   1.061  -1.759
  143   2HE2  GLN  17          1HE2      GLN  17 -11.011  -0.611  -2.297
  144    H    PHE  18           H        PHE  18  -8.349   3.432   3.946
  145    HA   PHE  18           HA       PHE  18 -10.322   5.659   3.836
  146   1HB   PHE  18          1HB       PHE  18  -7.594   4.912   4.974
  147   2HB   PHE  18          2HB       PHE  18  -7.568   6.529   4.338
  148    HD1  PHE  18           HD1      PHE  18  -9.958   7.882   5.352
  149    HD2  PHE  18           HD2      PHE  18  -7.557   4.793   7.129
  150    HE1  PHE  18           HE1      PHE  18 -10.814   8.482   7.472
  151    HE2  PHE  18           HE2      PHE  18  -8.382   5.353   9.279
  152    HZ   PHE  18           HZ       PHE  18  -9.969   7.328   9.587
  153    H    SER  19           H        SER  19  -7.672   4.509   2.138
  154    HA   SER  19           HA       SER  19  -7.402   6.581  -0.091
  155   1HB   SER  19          1HB       SER  19  -5.257   4.825  -0.041
  156   2HB   SER  19          2HB       SER  19  -5.422   6.560   0.176
  157    HG   SER  19           HG       SER  19  -5.875   6.217   2.413
  158    H    ARG  20           H        ARG  20  -8.173   6.130  -1.927
  159    HA   ARG  20           HA       ARG  20  -7.822   3.400  -3.114
  160   1HB   ARG  20          1HB       ARG  20 -10.189   4.878  -3.287
  161   2HB   ARG  20          2HB       ARG  20  -9.516   4.990  -4.905
  162   1HG   ARG  20          2HG       ARG  20 -10.385   2.423  -3.448
  163   2HG   ARG  20          1HG       ARG  20 -11.014   3.064  -4.969
  164   1HD   ARG  20          1HD       ARG  20  -8.930   2.512  -6.162
  165   2HD   ARG  20          2HD       ARG  20  -8.099   2.125  -4.662
  166   1HH1  ARG  20          1HH1      ARG  20  -7.944   1.027  -7.079
  167   2HH1  ARG  20          2HH1      ARG  20  -8.186  -0.638  -7.831
  168   1HH2  ARG  20          1HH2      ARG  20 -10.118  -1.544  -5.197
  169   2HH2  ARG  20          2HH2      ARG  20  -9.320  -2.055  -6.789
  170    H    THR  21           H        THR  21  -5.709   3.499  -3.469
  171    HA   THR  21           HA       THR  21  -3.743   4.568  -3.588
  172    HB   THR  21           HB       THR  21  -3.132   5.333  -5.596
  173    HG1  THR  21           HG1      THR  21  -4.060   6.757  -6.808
  174   1HG2  THR  21          1HG2      THR  21  -6.066   4.228  -6.288
  175   2HG2  THR  21          2HG2      THR  21  -4.656   4.088  -7.362
  176   3HG2  THR  21          3HG2      THR  21  -4.734   3.134  -5.856
  177    H    GLY  22           H        GLY  22  -5.371   5.777  -1.785
  178   1HA   GLY  22          1HA       GLY  22  -4.355   8.592  -1.482
  179   2HA   GLY  22          2HA       GLY  22  -5.501   7.774  -0.474
  180    HA   PRO  23           HA       PRO  23  -2.381   6.160  -1.950
  181   1HB   PRO  23          1HB       PRO  23   0.258   6.344  -1.764
  182   2HB   PRO  23          2HB       PRO  23  -0.686   7.789  -1.456
  183   1HG   PRO  23          1HG       PRO  23   0.580   5.821   0.599
  184   2HG   PRO  23          2HG       PRO  23   0.721   7.596   0.605
  185   1HD   PRO  23          2HD       PRO  23  -1.215   5.965   1.862
  186   2HD   PRO  23          1HD       PRO  23  -1.343   7.772   1.781
  187    H    LEU  24           H        LEU  24  -3.118   3.767  -1.908
  188    HA   LEU  24           HA       LEU  24  -0.847   2.028  -1.203
  189   1HB   LEU  24          1HB       LEU  24  -3.752   1.420  -0.515
  190   2HB   LEU  24          2HB       LEU  24  -2.561   0.414  -0.050
  191    HG   LEU  24           HG       LEU  24  -1.685   2.880   1.135
  192   1HD1  LEU  24          1HD2      LEU  24  -3.603   3.939   2.257
  193   2HD1  LEU  24          2HD2      LEU  24  -3.988   3.918   0.526
  194   3HD1  LEU  24          3HD2      LEU  24  -4.739   2.805   1.637
  195   1HD2  LEU  24          1HD1      LEU  24  -3.562   0.780   2.434
  196   2HD2  LEU  24          2HD1      LEU  24  -1.773   0.674   2.348
  197   3HD2  LEU  24          3HD1      LEU  24  -2.546   1.928   3.333
  198    H    CYS  25           H        CYS  25  -0.905  -0.406  -2.123
  199    HA   CYS  25           HA       CYS  25   0.677   1.479  -1.949
  200   1HB   CYS  25          1HB       CYS  25   0.592  -0.528  -0.792
  201   2HB   CYS  25          2HB       CYS  25   2.191  -0.312  -1.569
  202    HG   CYS  25           HG       CYS  25   0.424   1.484   0.201
  203    HA   PRO  26           HA       PRO  26   2.836   2.045  -5.401
  204   1HB   PRO  26          1HB       PRO  26   1.941   1.639  -7.903
  205   2HB   PRO  26          2HB       PRO  26   2.449   0.173  -7.032
  206   1HG   PRO  26          1HG       PRO  26  -0.376   1.325  -7.315
  207   2HG   PRO  26          2HG       PRO  26   0.196  -0.358  -7.555
  208   1HD   PRO  26          2HD       PRO  26  -0.876   0.678  -5.067
  209   2HD   PRO  26          1HD       PRO  26  -0.022  -0.887  -5.364
  210    H    ALA  27           H        ALA  27   0.089   2.681  -3.986
  211    HA   ALA  27           HA       ALA  27   0.248   5.549  -5.121
  212   1HB   ALA  27          1HB       ALA  27  -2.020   4.838  -4.530
  213   2HB   ALA  27          2HB       ALA  27  -1.487   4.248  -2.950
  214   3HB   ALA  27          3HB       ALA  27  -1.446   5.993  -3.298
  215    H    CYS  28           H        CYS  28   2.083   3.343  -3.485
  216    HA   CYS  28           HA       CYS  28   2.354   4.672  -0.954
  217   1HB   CYS  28          1HB       CYS  28   2.750   2.482  -0.648
  218   2HB   CYS  28          2HB       CYS  28   3.643   2.320  -2.108
  219    HG   CYS  28           HG       CYS  28   5.932   3.001  -1.298
  220    H    MET  29           H        MET  29   2.993   6.536  -0.536
  221    HA   MET  29           HA       MET  29   5.679   7.652  -1.461
  222   1HB   MET  29          1HB       MET  29   3.222   9.067  -0.267
  223   2HB   MET  29          2HB       MET  29   4.802   9.829  -0.384
  224   1HG   MET  29          1HG       MET  29   4.704   9.937  -2.788
  225   2HG   MET  29          2HG       MET  29   3.560   8.607  -2.915
  226   1HE   MET  29          1HE       MET  29   0.947  10.738  -4.243
  227   2HE   MET  29          2HE       MET  29   2.548  11.448  -4.618
  228   3HE   MET  29          3HE       MET  29   2.352   9.672  -4.544
  229    H    LYS  30           H        LYS  30   6.217   5.681  -0.025
  230    HA   LYS  30           HA       LYS  30   6.901   6.601   2.688
  231   1HB   LYS  30          1HB       LYS  30   6.871   3.785   1.449
  232   2HB   LYS  30          2HB       LYS  30   7.516   4.116   3.039
  233   1HG   LYS  30          1HG       LYS  30   5.142   3.235   3.085
  234   2HG   LYS  30          2HG       LYS  30   5.437   4.688   4.013
  235   1HD   LYS  30          1HD       LYS  30   4.412   6.055   2.067
  236   2HD   LYS  30          2HD       LYS  30   4.162   4.586   1.189
  237   1HE   LYS  30          1HE       LYS  30   2.323   5.866   2.916
  238   2HE   LYS  30          2HE       LYS  30   2.084   4.274   2.261
  239   1HZ   LYS  30          1HZ       LYS  30   2.128   3.667   4.422
  240   2HZ   LYS  30          2HZ       LYS  30   2.670   5.097   4.928
  241    H    ALA  31           H        ALA  31  10.422   5.773   0.757
  242    HA   ALA  31           HA       ALA  31   8.464   3.601   0.889
  243   1HB   ALA  31          1HB       ALA  31   7.678   3.588  -1.493
  244   2HB   ALA  31          2HB       ALA  31   7.151   5.074  -0.693
  245   3HB   ALA  31          3HB       ALA  31   8.520   5.105  -1.833
  Start of MODEL    7
    1   1H    ILE   1          1H        ILE   1   9.591   4.060   3.747
    2   2H    ILE   1          2H        ILE   1  10.613   4.096   5.018
    3    HA   ILE   1           HA       ILE   1  10.339   1.829   5.483
    4    HB   ILE   1           HB       ILE   1   8.265   3.611   5.517
    5   1HG1  ILE   1          1HG1      ILE   1   9.127   2.199   8.013
    6   2HG1  ILE   1          2HG1      ILE   1  10.235   3.303   7.223
    7   1HG2  ILE   1          1HG2      ILE   1   6.627   2.100   6.837
    8   2HG2  ILE   1          2HG2      ILE   1   6.778   1.613   5.146
    9   3HG2  ILE   1          3HG2      ILE   1   7.661   0.715   6.400
   10   1HD1  ILE   1          1HD1      ILE   1   8.837   4.571   8.852
   11   2HD1  ILE   1          2HD1      ILE   1   8.538   5.143   7.188
   12   3HD1  ILE   1          3HD1      ILE   1   7.347   4.088   7.983
   13    H    CYS   2           H        CYS   2   8.020   2.568   2.986
   14    HA   CYS   2           HA       CYS   2   7.520  -0.245   2.486
   15   1HB   CYS   2          2HB       CYS   2   5.880   1.589   2.962
   16   2HB   CYS   2          1HB       CYS   2   6.053   2.102   1.291
   17    HG   CYS   2           HG       CYS   2   4.522   0.709   0.295
   18    H    GLU   3           H        GLU   3   8.623  -1.458   1.252
   19    HA   GLU   3           HA       GLU   3   8.778  -0.793  -1.708
   20   1HB   GLU   3          1HB       GLU   3  10.688  -2.926  -0.905
   21   2HB   GLU   3          2HB       GLU   3  10.972  -1.485  -1.872
   22   1HG   GLU   3          2HG       GLU   3  10.952  -0.272   0.590
   23   2HG   GLU   3          1HG       GLU   3  11.244  -1.911   1.163
   24    HE2  GLU   3           HE2      GLU   3  14.482  -0.837   0.881
   25    H    GLU   4           H        GLU   4   8.762  -2.717  -3.212
   26    HA   GLU   4           HA       GLU   4   6.530  -4.246  -3.043
   27   1HB   GLU   4          1HB       GLU   4   7.542  -5.817  -4.708
   28   2HB   GLU   4          2HB       GLU   4   7.945  -4.149  -5.046
   29   1HG   GLU   4          1HG       GLU   4  10.292  -4.495  -4.175
   30   2HG   GLU   4          2HG       GLU   4   9.892  -6.118  -3.619
   31    HE2  GLU   4           HE2      GLU   4   9.410  -6.827  -7.257
   32    HA   PRO   5           HA       PRO   5   4.840  -7.540  -1.369
   33   1HB   PRO   5          1HB       PRO   5   7.577  -8.952  -0.847
   34   2HB   PRO   5          2HB       PRO   5   5.957  -9.672  -0.862
   35   1HG   PRO   5          1HG       PRO   5   7.571  -9.454  -3.155
   36   2HG   PRO   5          2HG       PRO   5   5.809  -9.674  -3.221
   37   1HD   PRO   5          2HD       PRO   5   7.272  -7.370  -4.180
   38   2HD   PRO   5          1HD       PRO   5   5.494  -7.443  -3.860
   39    H    THR   6           H        THR   6   5.576  -5.236  -0.689
   40    HA   THR   6           HA       THR   6   4.637  -5.194   2.180
   41    HB   THR   6           HB       THR   6   6.097  -2.698   1.404
   42    HG1  THR   6           HG1      THR   6   7.629  -4.355   1.164
   43   1HG2  THR   6          1HG2      THR   6   4.948  -2.448   3.502
   44   2HG2  THR   6          2HG2      THR   6   5.253  -4.132   3.996
   45   3HG2  THR   6          3HG2      THR   6   6.568  -2.942   4.034
   46    H    CYS   7           H        CYS   7   4.837  -2.953  -0.623
   47    HA   CYS   7           HA       CYS   7   2.621  -2.234  -1.223
   48   1HB   CYS   7          2HB       CYS   7   4.763  -3.209  -3.017
   49   2HB   CYS   7          1HB       CYS   7   3.606  -2.056  -3.645
   50    HG   CYS   7           HG       CYS   7   6.298  -1.382  -2.917
   51    H    ARG   8           H        ARG   8   3.184  -4.754  -2.535
   52    HA   ARG   8           HA       ARG   8   0.450  -5.249  -3.821
   53   1HB   ARG   8          1HB       ARG   8   1.267  -6.711  -5.138
   54   2HB   ARG   8          2HB       ARG   8   2.902  -6.499  -4.568
   55   1HG   ARG   8          1HG       ARG   8   2.727  -8.415  -3.023
   56   2HG   ARG   8          2HG       ARG   8   0.985  -8.490  -3.214
   57   1HD   ARG   8          1HD       ARG   8   1.358  -9.095  -5.704
   58   2HD   ARG   8          2HD       ARG   8   3.096  -9.232  -5.318
   59   1HH1  ARG   8          1HH1      ARG   8   0.668 -10.561  -6.518
   60   2HH1  ARG   8          2HH1      ARG   8   0.014 -12.283  -6.452
   61   1HH2  ARG   8          1HH2      ARG   8   1.675 -12.829  -3.556
   62   2HH2  ARG   8          2HH2      ARG   8   0.606 -13.530  -4.896
   63    H    ASN   9           H        ASN   9   2.291  -6.294  -1.296
   64    HA   ASN   9           HA       ASN   9   0.273  -7.106   0.702
   65   1HB   ASN   9          1HB       ASN   9   2.541  -7.776   0.874
   66   2HB   ASN   9          2HB       ASN   9   3.156  -6.149   0.945
   67   1HD2  ASN   9          2HD2      ASN   9   1.550  -4.913   2.867
   68   2HD2  ASN   9          1HD2      ASN   9   1.815  -5.849   4.425
   69    H    ARG  10           H        ARG  10   1.258  -3.780  -0.286
   70    HA   ARG  10           HA       ARG  10  -0.782  -2.570   1.353
   71   1HB   ARG  10          1HB       ARG  10   1.316  -1.826   1.886
   72   2HB   ARG  10          2HB       ARG  10   1.714  -1.266   0.232
   73   1HG   ARG  10          1HG       ARG  10  -0.035   0.587   0.510
   74   2HG   ARG  10          2HG       ARG  10  -0.493  -0.083   2.062
   75   1HD   ARG  10          1HD       ARG  10   2.248   1.092   1.462
   76   2HD   ARG  10          2HD       ARG  10   0.923   1.932   2.284
   77   1HH1  ARG  10          1HH1      ARG  10   3.106   2.446   3.230
   78   2HH1  ARG  10          2HH1      ARG  10   3.580   2.495   5.011
   79   1HH2  ARG  10          1HH2      ARG  10   1.997  -0.436   5.552
   80   2HH2  ARG  10          2HH2      ARG  10   3.210   0.812   6.184
   81    H    THR  11           H        THR  11  -0.748  -3.288  -1.196
   82    HA   THR  11           HA       THR  11  -2.598  -1.599  -2.318
   83    HB   THR  11           HB       THR  11  -0.992  -3.773  -3.066
   84    HG1  THR  11           HG1      THR  11  -0.294  -2.563  -4.694
   85   1HG2  THR  11          1HG2      THR  11  -2.674  -4.073  -5.441
   86   2HG2  THR  11          2HG2      THR  11  -3.506  -4.461  -3.904
   87   3HG2  THR  11          3HG2      THR  11  -3.632  -2.900  -4.637
   88    H    ARG  12           H        ARG  12  -2.023  -4.571  -1.205
   89    HA   ARG  12           HA       ARG  12  -4.386  -5.733  -0.199
   90   1HB   ARG  12          2HB       ARG  12  -2.644  -7.112  -0.580
   91   2HB   ARG  12          1HB       ARG  12  -1.769  -5.715  -0.053
   92   1HG   ARG  12          1HG       ARG  12  -2.950  -8.127   1.600
   93   2HG   ARG  12          2HG       ARG  12  -1.272  -7.618   1.657
   94   1HD   ARG  12          1HD       ARG  12  -1.726  -5.806   3.094
   95   2HD   ARG  12          2HD       ARG  12  -3.437  -5.752   2.742
   96   1HH1  ARG  12          1HH1      ARG  12  -0.813  -6.058   4.617
   97   2HH1  ARG  12          2HH1      ARG  12  -0.738  -6.656   6.359
   98   1HH2  ARG  12          1HH2      ARG  12  -3.399  -8.670   5.808
   99   2HH2  ARG  12          2HH2      ARG  12  -2.130  -8.058   7.010
  100    H    HIS  13           H        HIS  13  -2.290  -4.289   1.993
  101    HA   HIS  13           HA       HIS  13  -4.263  -2.550   3.166
  102   1HB   HIS  13          1HB       HIS  13  -1.133  -2.422   3.219
  103   2HB   HIS  13          2HB       HIS  13  -2.049  -1.100   3.881
  104    HD2  HIS  13           HD2      HIS  13  -2.714  -4.889   4.714
  105    HE1  HIS  13           HE1      HIS  13  -1.253  -3.066   8.160
  106    HE2  HIS  13           HE2      HIS  13  -2.123  -5.322   7.246
  107    H    LEU  14           H        LEU  14  -3.472  -2.250   0.608
  108    HA   LEU  14           HA       LEU  14  -4.864   0.068   0.583
  109   1HB   LEU  14          1HB       LEU  14  -3.699   0.013  -1.594
  110   2HB   LEU  14          2HB       LEU  14  -4.421  -1.528  -1.894
  111    HG   LEU  14           HG       LEU  14  -6.640  -0.421  -1.746
  112   1HD1  LEU  14          1HD1      LEU  14  -4.881   1.853  -2.756
  113   2HD1  LEU  14          2HD1      LEU  14  -6.685   1.817  -2.895
  114   3HD1  LEU  14          3HD1      LEU  14  -5.928   1.816  -1.290
  115   1HD2  LEU  14          1HD2      LEU  14  -4.841  -0.349  -4.196
  116   2HD2  LEU  14          2HD2      LEU  14  -6.053  -1.614  -3.749
  117   3HD2  LEU  14          3HD2      LEU  14  -6.632  -0.037  -4.234
  118    HA   PRO  15           HA       PRO  15  -8.820  -2.419   0.779
  119   1HB   PRO  15          1HB       PRO  15  -6.838  -4.588   1.469
  120   2HB   PRO  15          2HB       PRO  15  -8.607  -4.870   1.182
  121   1HG   PRO  15          1HG       PRO  15  -6.554  -5.105  -0.913
  122   2HG   PRO  15          2HG       PRO  15  -8.304  -4.916  -1.237
  123   1HD   PRO  15          2HD       PRO  15  -6.815  -2.669  -2.032
  124   2HD   PRO  15          1HD       PRO  15  -8.393  -2.681  -1.240
  125    H    LEU  16           H        LEU  16  -6.310  -1.852   2.294
  126    HA   LEU  16           HA       LEU  16  -7.637  -1.609   4.734
  127   1HB   LEU  16          1HB       LEU  16  -4.841  -1.891   4.531
  128   2HB   LEU  16          2HB       LEU  16  -5.043  -0.187   4.863
  129    HG   LEU  16           HG       LEU  16  -6.735  -1.489   6.755
  130   1HD1  LEU  16          1HD1      LEU  16  -5.117  -3.022   7.977
  131   2HD1  LEU  16          2HD1      LEU  16  -5.474  -3.662   6.365
  132   3HD1  LEU  16          3HD1      LEU  16  -3.930  -2.835   6.662
  133   1HD2  LEU  16          1HD2      LEU  16  -5.391   0.585   7.189
  134   2HD2  LEU  16          2HD2      LEU  16  -5.078  -0.619   8.459
  135   3HD2  LEU  16          3HD2      LEU  16  -3.887  -0.360   7.158
  136    H    GLN  17           H        GLN  17  -8.985  -0.646   3.039
  137    HA   GLN  17           HA       GLN  17  -8.183   2.126   2.098
  138   1HB   GLN  17          1HB       GLN  17  -9.713   1.793   0.266
  139   2HB   GLN  17          2HB       GLN  17  -8.683   0.401   0.416
  140   1HG   GLN  17          1HG       GLN  17 -10.455  -1.075   0.969
  141   2HG   GLN  17          2HG       GLN  17 -11.414   0.149   1.770
  142   1HE2  GLN  17          2HE2      GLN  17 -10.736  -1.495  -1.153
  143   2HE2  GLN  17          1HE2      GLN  17 -12.021  -0.633  -2.159
  144    H    PHE  18           H        PHE  18  -8.547   3.041   4.012
  145    HA   PHE  18           HA       PHE  18 -10.705   5.091   3.899
  146   1HB   PHE  18          1HB       PHE  18  -8.010   4.549   5.133
  147   2HB   PHE  18          2HB       PHE  18  -7.966   6.110   4.371
  148    HD1  PHE  18           HD1      PHE  18  -9.294   4.184   7.168
  149    HD2  PHE  18           HD2      PHE  18  -8.897   8.040   5.314
  150    HE1  PHE  18           HE1      PHE  18  -9.283   5.174   9.308
  151    HE2  PHE  18           HE2      PHE  18  -8.885   9.087   7.438
  152    HZ   PHE  18           HZ       PHE  18  -9.131   7.708   9.569
  153    H    SER  19           H        SER  19  -7.969   4.156   2.197
  154    HA   SER  19           HA       SER  19  -7.875   6.265  -0.008
  155   1HB   SER  19          1HB       SER  19  -5.587   4.741  -0.046
  156   2HB   SER  19          2HB       SER  19  -5.914   6.433   0.292
  157    HG   SER  19           HG       SER  19  -5.468   6.188   2.267
  158    H    ARG  20           H        ARG  20  -8.685   5.785  -1.794
  159    HA   ARG  20           HA       ARG  20  -8.077   3.178  -3.146
  160   1HB   ARG  20          2HB       ARG  20 -10.715   3.909  -3.070
  161   2HB   ARG  20          1HB       ARG  20 -10.111   4.903  -4.382
  162   1HG   ARG  20          1HG       ARG  20 -11.206   2.683  -5.138
  163   2HG   ARG  20          2HG       ARG  20  -9.569   2.918  -5.752
  164   1HD   ARG  20          1HD       ARG  20  -8.738   1.494  -3.729
  165   2HD   ARG  20          2HD       ARG  20 -10.426   1.104  -3.426
  166   1HH1  ARG  20          1HH1      ARG  20  -7.607   1.731  -5.555
  167   2HH1  ARG  20          2HH1      ARG  20  -7.035   0.867  -7.079
  168   1HH2  ARG  20          1HH2      ARG  20  -9.444  -1.471  -6.662
  169   2HH2  ARG  20          2HH2      ARG  20  -8.009  -0.878  -7.672
  170    H    THR  21           H        THR  21  -6.030   3.524  -3.681
  171    HA   THR  21           HA       THR  21  -4.207   4.824  -3.783
  172    HB   THR  21           HB       THR  21  -3.797   5.828  -5.749
  173    HG1  THR  21           HG1      THR  21  -5.517   6.710  -7.134
  174   1HG2  THR  21          1HG2      THR  21  -6.566   4.339  -6.400
  175   2HG2  THR  21          2HG2      THR  21  -5.206   4.482  -7.537
  176   3HG2  THR  21          3HG2      THR  21  -5.068   3.434  -6.099
  177    H    GLY  22           H        GLY  22  -5.866   5.713  -1.825
  178   1HA   GLY  22          1HA       GLY  22  -5.081   8.588  -1.351
  179   2HA   GLY  22          2HA       GLY  22  -6.151   7.619  -0.395
  180    HA   PRO  23           HA       PRO  23  -2.947   6.365  -2.042
  181   1HB   PRO  23          1HB       PRO  23  -0.334   6.759  -1.875
  182   2HB   PRO  23          2HB       PRO  23  -1.392   8.086  -1.434
  183   1HG   PRO  23          1HG       PRO  23   0.091   6.082   0.431
  184   2HG   PRO  23          2HG       PRO  23   0.063   7.855   0.586
  185   1HD   PRO  23          2HD       PRO  23  -1.684   5.937   1.716
  186   2HD   PRO  23          1HD       PRO  23  -1.973   7.725   1.812
  187    H    LEU  24           H        LEU  24  -3.610   3.898  -1.945
  188    HA   LEU  24           HA       LEU  24  -1.171   2.268  -1.623
  189   1HB   LEU  24          1HB       LEU  24  -3.829   1.433  -0.407
  190   2HB   LEU  24          2HB       LEU  24  -2.453   0.613  -0.123
  191    HG   LEU  24           HG       LEU  24  -1.582   3.045   0.892
  192   1HD1  LEU  24          1HD2      LEU  24  -3.356   4.331   2.019
  193   2HD1  LEU  24          2HD2      LEU  24  -3.830   4.214   0.314
  194   3HD1  LEU  24          3HD2      LEU  24  -4.604   3.247   1.540
  195   1HD2  LEU  24          1HD1      LEU  24  -3.541   1.198   2.435
  196   2HD2  LEU  24          2HD1      LEU  24  -1.771   0.949   2.275
  197   3HD2  LEU  24          3HD1      LEU  24  -2.398   2.327   3.196
  198    H    CYS  25           H        CYS  25  -1.344  -0.198  -2.437
  199    HA   CYS  25           HA       CYS  25   0.255   1.546  -2.375
  200   1HB   CYS  25          2HB       CYS  25   0.106  -0.415  -1.285
  201   2HB   CYS  25          1HB       CYS  25   1.182  -0.576  -2.504
  202    HG   CYS  25           HG       CYS  25   2.954  -0.120  -0.939
  203    HA   PRO  26           HA       PRO  26   3.288   3.172  -4.599
  204   1HB   PRO  26          1HB       PRO  26   2.388   1.543  -7.054
  205   2HB   PRO  26          2HB       PRO  26   3.949   2.345  -6.765
  206   1HG   PRO  26          1HG       PRO  26   3.285  -0.373  -6.044
  207   2HG   PRO  26          2HG       PRO  26   4.746   0.559  -5.584
  208   1HD   PRO  26          2HD       PRO  26   2.924  -0.339  -3.647
  209   2HD   PRO  26          1HD       PRO  26   3.955   1.135  -3.503
  210    H    ALA  27           H        ALA  27   0.464   3.434  -3.861
  211    HA   ALA  27           HA       ALA  27   0.958   6.413  -4.462
  212   1HB   ALA  27          1HB       ALA  27  -1.417   5.803  -4.640
  213   2HB   ALA  27          2HB       ALA  27  -1.343   4.851  -3.151
  214   3HB   ALA  27          3HB       ALA  27  -1.156   6.620  -3.076
  215    H    CYS  28           H        CYS  28   2.008   3.675  -2.680
  216    HA   CYS  28           HA       CYS  28   2.715   5.004  -0.264
  217   1HB   CYS  28          1HB       CYS  28   3.718   3.158   0.434
  218   2HB   CYS  28          2HB       CYS  28   2.979   2.527  -0.985
  219    HG   CYS  28           HG       CYS  28   5.022   1.759  -2.066
  220    H    MET  29           H        MET  29   3.479   7.081  -0.225
  221    HA   MET  29           HA       MET  29   6.288   7.561  -1.147
  222   1HB   MET  29          1HB       MET  29   4.309   9.450   0.265
  223   2HB   MET  29          2HB       MET  29   5.775   9.907  -0.591
  224   1HG   MET  29          1HG       MET  29   3.311   8.550  -1.897
  225   2HG   MET  29          2HG       MET  29   3.644  10.278  -1.928
  226   1HE   MET  29          1HE       MET  29   3.279   8.532  -4.771
  227   2HE   MET  29          2HE       MET  29   3.345  10.286  -4.409
  228   3HE   MET  29          3HE       MET  29   4.463   9.577  -5.611
  229    H    LYS  30           H        LYS  30   6.616   5.710   0.493
  230    HA   LYS  30           HA       LYS  30   7.070   6.600   3.267
  231   1HB   LYS  30          1HB       LYS  30   6.236   3.873   2.109
  232   2HB   LYS  30          2HB       LYS  30   6.700   4.080   3.780
  233   1HG   LYS  30          1HG       LYS  30   4.289   4.106   3.733
  234   2HG   LYS  30          2HG       LYS  30   4.862   5.689   4.210
  235   1HD   LYS  30          1HD       LYS  30   4.360   6.571   1.882
  236   2HD   LYS  30          2HD       LYS  30   3.999   4.975   1.323
  237   1HE   LYS  30          1HE       LYS  30   1.956   6.430   1.741
  238   2HE   LYS  30          2HE       LYS  30   1.839   4.932   2.614
  239   1HZ   LYS  30          1HZ       LYS  30   1.486   6.324   4.346
  240   2HZ   LYS  30          2HZ       LYS  30   2.015   7.630   3.568
  241    H    ALA  31           H        ALA  31   8.714   4.656   0.877
  242    HA   ALA  31           HA       ALA  31  11.271   4.694   2.549
  243   1HB   ALA  31          1HB       ALA  31  11.947   2.481   1.582
  244   2HB   ALA  31          2HB       ALA  31  10.451   2.306   2.509
  245   3HB   ALA  31          3HB       ALA  31  10.407   2.325   0.728
  Start of MODEL    8
    1   1H    ILE   1          1H        ILE   1  10.824   2.746   2.501
    2   2H    ILE   1          2H        ILE   1  12.043   2.987   3.559
    3    HA   ILE   1           HA       ILE   1  10.967   1.841   5.279
    4    HB   ILE   1           HB       ILE   1   9.945   4.075   4.094
    5   1HG1  ILE   1          1HG1      ILE   1  10.659   4.014   7.008
    6   2HG1  ILE   1          2HG1      ILE   1  11.908   3.864   5.787
    7   1HG2  ILE   1          1HG2      ILE   1   8.147   4.573   5.892
    8   2HG2  ILE   1          2HG2      ILE   1   7.680   3.246   4.825
    9   3HG2  ILE   1          3HG2      ILE   1   8.327   2.887   6.441
   10   1HD1  ILE   1          1HD1      ILE   1  11.568   6.276   6.320
   11   2HD1  ILE   1          2HD1      ILE   1  11.156   5.944   4.616
   12   3HD1  ILE   1          3HD1      ILE   1   9.854   6.170   5.807
   13    H    CYS   2           H        CYS   2   8.255   2.238   3.095
   14    HA   CYS   2           HA       CYS   2   7.152  -0.355   3.824
   15   1HB   CYS   2          2HB       CYS   2   5.911   1.692   3.937
   16   2HB   CYS   2          1HB       CYS   2   6.034   1.922   2.199
   17    HG   CYS   2           HG       CYS   2   3.879   1.143   1.863
   18    H    GLU   3           H        GLU   3   7.251   0.772   0.510
   19    HA   GLU   3           HA       GLU   3   7.766  -0.361  -1.543
   20   1HB   GLU   3          1HB       GLU   3   9.832   0.170  -0.147
   21   2HB   GLU   3          2HB       GLU   3   9.801  -1.452   0.533
   22   1HG   GLU   3          2HG       GLU   3  10.391  -2.425  -1.700
   23   2HG   GLU   3          1HG       GLU   3  10.077  -0.894  -2.512
   24    HE2  GLU   3           HE2      GLU   3  12.991   0.428  -0.679
   25    H    GLU   4           H        GLU   4   8.167  -2.095  -2.879
   26    HA   GLU   4           HA       GLU   4   6.017  -3.840  -2.759
   27   1HB   GLU   4          1HB       GLU   4   7.083  -4.995  -4.788
   28   2HB   GLU   4          2HB       GLU   4   6.979  -3.252  -4.873
   29   1HG   GLU   4          1HG       GLU   4   9.188  -4.025  -5.768
   30   2HG   GLU   4          2HG       GLU   4   9.477  -3.077  -4.313
   31    HE2  GLU   4           HE2      GLU   4  11.556  -5.638  -3.506
   32    HA   PRO   5           HA       PRO   5   4.970  -7.660  -1.773
   33   1HB   PRO   5          1HB       PRO   5   7.917  -8.695  -1.762
   34   2HB   PRO   5          2HB       PRO   5   6.422  -9.646  -1.820
   35   1HG   PRO   5          1HG       PRO   5   7.743  -8.711  -4.119
   36   2HG   PRO   5          2HG       PRO   5   6.032  -9.187  -4.106
   37   1HD   PRO   5          2HD       PRO   5   7.057  -6.535  -4.640
   38   2HD   PRO   5          1HD       PRO   5   5.347  -6.951  -4.220
   39    H    THR   6           H        THR   6   5.449  -5.457  -0.648
   40    HA   THR   6           HA       THR   6   4.704  -6.202   2.161
   41    HB   THR   6           HB       THR   6   5.756  -3.470   2.274
   42    HG1  THR   6           HG1      THR   6   7.856  -4.818   2.830
   43   1HG2  THR   6          1HG2      THR   6   4.897  -5.112   4.212
   44   2HG2  THR   6          2HG2      THR   6   6.532  -5.810   4.114
   45   3HG2  THR   6          3HG2      THR   6   6.319  -4.098   4.529
   46    H    CYS   7           H        CYS   7   4.602  -3.168   0.191
   47    HA   CYS   7           HA       CYS   7   2.335  -2.528  -0.185
   48   1HB   CYS   7          1HB       CYS   7   4.412  -2.723  -2.281
   49   2HB   CYS   7          2HB       CYS   7   3.027  -1.672  -2.501
   50    HG   CYS   7           HG       CYS   7   5.468  -0.544  -1.994
   51    H    ARG   8           H        ARG   8   2.930  -4.883  -1.706
   52    HA   ARG   8           HA       ARG   8   0.323  -5.465  -3.203
   53   1HB   ARG   8          2HB       ARG   8   2.535  -7.494  -2.732
   54   2HB   ARG   8          1HB       ARG   8   1.115  -7.489  -3.799
   55   1HG   ARG   8          2HG       ARG   8   2.229  -5.617  -5.160
   56   2HG   ARG   8          1HG       ARG   8   3.669  -5.787  -4.173
   57   1HD   ARG   8          1HD       ARG   8   4.099  -8.051  -5.017
   58   2HD   ARG   8          2HD       ARG   8   2.483  -8.134  -5.774
   59   1HH1  ARG   8          1HH1      ARG   8   4.483  -9.221  -6.822
   60   2HH1  ARG   8          2HH1      ARG   8   5.369  -9.127  -8.435
   61   1HH2  ARG   8          1HH2      ARG   8   4.298  -5.940  -8.842
   62   2HH2  ARG   8          2HH2      ARG   8   5.251  -7.363  -9.548
   63    H    ASN   9           H        ASN   9   1.930  -6.571  -0.463
   64    HA   ASN   9           HA       ASN   9  -0.374  -7.423   1.189
   65   1HB   ASN   9          1HB       ASN   9   1.447  -8.332   2.099
   66   2HB   ASN   9          2HB       ASN   9   2.537  -7.098   1.530
   67   1HD2  ASN   9          2HD2      ASN   9   3.618  -7.011   3.491
   68   2HD2  ASN   9          1HD2      ASN   9   2.801  -6.286   4.971
   69    H    ARG  10           H        ARG  10   0.971  -4.174   0.628
   70    HA   ARG  10           HA       ARG  10  -1.207  -2.786   1.954
   71   1HB   ARG  10          2HB       ARG  10   1.289  -1.358   0.987
   72   2HB   ARG  10          1HB       ARG  10   0.019  -0.926   2.151
   73   1HG   ARG  10          2HG       ARG  10   1.148  -3.073   3.467
   74   2HG   ARG  10          1HG       ARG  10   2.564  -2.523   2.590
   75   1HD   ARG  10          1HD       ARG  10   2.473  -0.351   3.636
   76   2HD   ARG  10          2HD       ARG  10   0.862  -0.659   4.307
   77   1HH1  ARG  10          1HH1      ARG  10   3.246   0.627   5.147
   78   2HH1  ARG  10          2HH1      ARG  10   4.387   0.478   6.586
   79   1HH2  ARG  10          1HH2      ARG  10   3.199  -2.624   7.229
   80   2HH2  ARG  10          2HH2      ARG  10   4.265  -1.218   7.788
   81    H    THR  11           H        THR  11  -0.955  -3.677  -0.506
   82    HA   THR  11           HA       THR  11  -2.427  -1.906  -1.997
   83    HB   THR  11           HB       THR  11  -0.947  -4.247  -2.360
   84    HG1  THR  11           HG1      THR  11  -1.289  -2.822  -4.732
   85   1HG2  THR  11          1HG2      THR  11  -2.446  -4.779  -4.808
   86   2HG2  THR  11          2HG2      THR  11  -3.416  -4.928  -3.311
   87   3HG2  THR  11          3HG2      THR  11  -3.404  -3.473  -4.247
   88    H    ARG  12           H        ARG  12  -2.325  -4.817  -0.690
   89    HA   ARG  12           HA       ARG  12  -4.861  -5.741   0.001
   90   1HB   ARG  12          2HB       ARG  12  -3.279  -7.312  -0.159
   91   2HB   ARG  12          1HB       ARG  12  -2.300  -6.009   0.427
   92   1HG   ARG  12          2HG       ARG  12  -3.854  -8.240   1.992
   93   2HG   ARG  12          1HG       ARG  12  -2.136  -7.929   2.185
   94   1HD   ARG  12          1HD       ARG  12  -2.594  -5.903   3.465
   95   2HD   ARG  12          2HD       ARG  12  -4.307  -5.949   3.122
   96   1HH1  ARG  12          1HH1      ARG  12  -5.787  -6.349   4.094
   97   2HH1  ARG  12          2HH1      ARG  12  -6.648  -7.182   5.495
   98   1HH2  ARG  12          1HH2      ARG  12  -3.805  -8.832   6.294
   99   2HH2  ARG  12          2HH2      ARG  12  -5.599  -8.551   6.658
  100    H    HIS  13           H        HIS  13  -2.928  -4.446   2.502
  101    HA   HIS  13           HA       HIS  13  -4.863  -2.569   3.385
  102   1HB   HIS  13          1HB       HIS  13  -1.870  -1.930   3.715
  103   2HB   HIS  13          2HB       HIS  13  -3.104  -1.514   4.868
  104    HD2  HIS  13           HD2      HIS  13  -0.210  -3.623   4.817
  105    HE1  HIS  13           HE1      HIS  13  -2.815  -5.667   7.345
  106    HE2  HIS  13           HE2      HIS  13  -0.318  -5.472   6.697
  107    H    LEU  14           H        LEU  14  -3.743  -2.419   0.917
  108    HA   LEU  14           HA       LEU  14  -5.021  -0.067   0.530
  109   1HB   LEU  14          1HB       LEU  14  -3.597  -0.123  -1.350
  110   2HB   LEU  14          2HB       LEU  14  -4.089  -1.764  -1.582
  111    HG   LEU  14           HG       LEU  14  -6.411  -0.826  -1.948
  112   1HD1  LEU  14          1HD1      LEU  14  -4.560   1.323  -3.076
  113   2HD1  LEU  14          2HD1      LEU  14  -6.318   1.172  -3.477
  114   3HD1  LEU  14          3HD1      LEU  14  -5.823   1.510  -1.807
  115   1HD2  LEU  14          1HD2      LEU  14  -4.233  -1.079  -4.043
  116   2HD2  LEU  14          2HD2      LEU  14  -5.455  -2.322  -3.561
  117   3HD2  LEU  14          3HD2      LEU  14  -6.004  -0.900  -4.418
  118    HA   PRO  15           HA       PRO  15  -9.054  -1.758   0.555
  119   1HB   PRO  15          1HB       PRO  15  -7.864  -4.512   1.402
  120   2HB   PRO  15          2HB       PRO  15  -9.636  -4.236   1.126
  121   1HG   PRO  15          1HG       PRO  15  -8.370  -5.190  -1.097
  122   2HG   PRO  15          2HG       PRO  15  -9.146  -3.593  -1.324
  123   1HD   PRO  15          1HD       PRO  15  -6.254  -4.230  -0.603
  124   2HD   PRO  15          2HD       PRO  15  -6.872  -3.047  -1.867
  125    H    LEU  16           H        LEU  16  -6.710  -1.748   2.264
  126    HA   LEU  16           HA       LEU  16  -8.147  -1.319   4.622
  127   1HB   LEU  16          1HB       LEU  16  -5.473  -2.065   4.648
  128   2HB   LEU  16          2HB       LEU  16  -5.357  -0.334   4.871
  129    HG   LEU  16           HG       LEU  16  -7.399  -1.309   6.684
  130   1HD1  LEU  16          1HD1      LEU  16  -5.985  -2.815   8.166
  131   2HD1  LEU  16          2HD1      LEU  16  -6.240  -3.565   6.581
  132   3HD1  LEU  16          3HD1      LEU  16  -4.680  -2.799   6.953
  133   1HD2  LEU  16          1HD2      LEU  16  -5.989   0.725   7.084
  134   2HD2  LEU  16          2HD2      LEU  16  -5.853  -0.386   8.464
  135   3HD2  LEU  16          3HD2      LEU  16  -4.540  -0.287   7.262
  136    H    GLN  17           H        GLN  17  -9.250  -0.145   2.901
  137    HA   GLN  17           HA       GLN  17  -8.070   2.517   2.061
  138   1HB   GLN  17          1HB       GLN  17  -9.646   2.372   0.171
  139   2HB   GLN  17          2HB       GLN  17  -8.594   0.991   0.274
  140   1HG   GLN  17          1HG       GLN  17 -10.513  -0.386   1.298
  141   2HG   GLN  17          2HG       GLN  17 -11.586   0.984   1.118
  142   1HE2  GLN  17          2HE2      GLN  17 -12.247   1.566  -0.989
  143   2HE2  GLN  17          1HE2      GLN  17 -12.069   0.346  -2.364
  144    H    PHE  18           H        PHE  18  -8.427   3.542   3.876
  145    HA   PHE  18           HA       PHE  18 -10.413   5.747   3.637
  146   1HB   PHE  18          1HB       PHE  18  -7.877   5.031   5.024
  147   2HB   PHE  18          2HB       PHE  18  -7.539   6.461   4.096
  148    HD1  PHE  18           HD1      PHE  18 -10.525   7.629   4.784
  149    HD2  PHE  18           HD2      PHE  18  -7.207   5.997   6.974
  150    HE1  PHE  18           HE1      PHE  18 -11.396   8.591   6.760
  151    HE2  PHE  18           HE2      PHE  18  -8.046   6.921   8.987
  152    HZ   PHE  18           HZ       PHE  18 -10.127   8.403   8.968
  153    H    SER  19           H        SER  19  -7.726   4.536   2.033
  154    HA   SER  19           HA       SER  19  -7.474   6.503  -0.291
  155   1HB   SER  19          1HB       SER  19  -5.268   4.917  -0.260
  156   2HB   SER  19          2HB       SER  19  -5.527   6.610   0.133
  157    HG   SER  19           HG       SER  19  -5.721   6.192   2.275
  158    H    ARG  20           H        ARG  20  -8.236   5.950  -2.095
  159    HA   ARG  20           HA       ARG  20  -7.772   3.198  -3.189
  160   1HB   ARG  20          1HB       ARG  20 -10.187   4.633  -3.446
  161   2HB   ARG  20          2HB       ARG  20  -9.514   4.577  -5.066
  162   1HG   ARG  20          2HG       ARG  20 -10.352   2.172  -3.337
  163   2HG   ARG  20          1HG       ARG  20 -11.011   2.649  -4.904
  164   1HD   ARG  20          1HD       ARG  20  -8.960   1.969  -6.074
  165   2HD   ARG  20          2HD       ARG  20  -8.079   1.780  -4.564
  166   1HH1  ARG  20          1HH1      ARG  20  -7.993   0.404  -6.853
  167   2HH1  ARG  20          2HH1      ARG  20  -8.215  -1.346  -7.384
  168   1HH2  ARG  20          1HH2      ARG  20 -10.153  -1.939  -4.671
  169   2HH2  ARG  20          2HH2      ARG  20  -9.357  -2.625  -6.196
  170    H    THR  21           H        THR  21  -5.675   3.342  -3.609
  171    HA   THR  21           HA       THR  21  -3.752   4.488  -3.716
  172    HB   THR  21           HB       THR  21  -3.151   5.103  -5.743
  173    HG1  THR  21           HG1      THR  21  -3.861   6.869  -6.471
  174   1HG2  THR  21          1HG2      THR  21  -6.147   4.177  -6.435
  175   2HG2  THR  21          2HG2      THR  21  -4.744   3.933  -7.500
  176   3HG2  THR  21          3HG2      THR  21  -4.889   3.008  -5.981
  177    H    GLY  22           H        GLY  22  -5.419   5.694  -1.945
  178   1HA   GLY  22          1HA       GLY  22  -4.476   8.544  -1.741
  179   2HA   GLY  22          2HA       GLY  22  -5.576   7.728  -0.682
  180    HA   PRO  23           HA       PRO  23  -2.515   5.969  -2.092
  181   1HB   PRO  23          1HB       PRO  23   0.123   5.963  -1.926
  182   2HB   PRO  23          2HB       PRO  23  -0.709   7.497  -1.756
  183   1HG   PRO  23          1HG       PRO  23   0.408   5.638   0.481
  184   2HG   PRO  23          2HG       PRO  23   0.711   7.383   0.307
  185   1HD   PRO  23          2HD       PRO  23  -1.339   6.097   1.744
  186   2HD   PRO  23          1HD       PRO  23  -1.335   7.881   1.426
  187    H    LEU  24           H        LEU  24  -3.245   3.573  -2.101
  188    HA   LEU  24           HA       LEU  24  -1.000   1.890  -1.206
  189   1HB   LEU  24          1HB       LEU  24  -3.676   0.754  -0.544
  190   2HB   LEU  24          2HB       LEU  24  -2.324   0.538   0.334
  191    HG   LEU  24           HG       LEU  24  -3.584   3.369   0.254
  192   1HD1  LEU  24          1HD2      LEU  24  -5.131   2.893   2.101
  193   2HD1  LEU  24          2HD2      LEU  24  -5.456   1.682   0.847
  194   3HD1  LEU  24          3HD2      LEU  24  -4.580   1.275   2.298
  195   1HD2  LEU  24          1HD1      LEU  24  -2.193   1.827   2.567
  196   2HD2  LEU  24          2HD1      LEU  24  -1.436   3.111   1.568
  197   3HD2  LEU  24          3HD1      LEU  24  -2.768   3.506   2.669
  198    H    CYS  25           H        CYS  25  -1.049  -0.586  -2.013
  199    HA   CYS  25           HA       CYS  25   0.539   1.281  -1.876
  200   1HB   CYS  25          1HB       CYS  25   0.449  -0.729  -0.692
  201   2HB   CYS  25          2HB       CYS  25   2.052  -0.483  -1.434
  202    HG   CYS  25           HG       CYS  25   0.207   1.184   0.410
  203    HA   PRO  26           HA       PRO  26   2.816   1.722  -5.278
  204   1HB   PRO  26          1HB       PRO  26   1.973   1.299  -7.796
  205   2HB   PRO  26          2HB       PRO  26   2.411  -0.165  -6.885
  206   1HG   PRO  26          1HG       PRO  26  -0.367   1.067  -7.275
  207   2HG   PRO  26          2HG       PRO  26   0.158  -0.639  -7.451
  208   1HD   PRO  26          1HD       PRO  26  -0.919   0.569  -5.068
  209   2HD   PRO  26          2HD       PRO  26  -0.220  -1.091  -5.209
  210    H    ALA  27           H        ALA  27   0.060   2.458  -3.958
  211    HA   ALA  27           HA       ALA  27   0.296   5.312  -5.117
  212   1HB   ALA  27          1HB       ALA  27  -1.985   4.637  -4.524
  213   2HB   ALA  27          2HB       ALA  27  -1.464   4.054  -2.938
  214   3HB   ALA  27          3HB       ALA  27  -1.397   5.794  -3.302
  215    H    CYS  28           H        CYS  28   2.054   3.077  -3.406
  216    HA   CYS  28           HA       CYS  28   2.422   4.566  -0.955
  217   1HB   CYS  28          1HB       CYS  28   2.590   2.335  -0.550
  218   2HB   CYS  28          2HB       CYS  28   3.578   2.040  -1.926
  219    HG   CYS  28           HG       CYS  28   4.724   4.135   0.371
  220    H    MET  29           H        MET  29   3.187   6.630  -1.135
  221    HA   MET  29           HA       MET  29   6.033   7.085  -1.818
  222   1HB   MET  29          1HB       MET  29   4.017   8.648  -2.176
  223   2HB   MET  29          2HB       MET  29   4.061   9.008  -0.456
  224   1HG   MET  29          1HG       MET  29   6.276  10.083  -0.661
  225   2HG   MET  29          2HG       MET  29   6.521   9.441  -2.280
  226   1HE   MET  29          1HE       MET  29   7.219  12.096  -1.949
  227   2HE   MET  29          2HE       MET  29   6.821  11.990  -3.693
  228   3HE   MET  29          3HE       MET  29   6.168  13.330  -2.706
  229    H    LYS  30           H        LYS  30   6.358   5.265  -0.129
  230    HA   LYS  30           HA       LYS  30   7.223   6.337   2.479
  231   1HB   LYS  30          1HB       LYS  30   6.444   3.483   1.624
  232   2HB   LYS  30          2HB       LYS  30   7.151   3.848   3.179
  233   1HG   LYS  30          1HG       LYS  30   4.573   3.639   3.121
  234   2HG   LYS  30          2HG       LYS  30   5.291   4.937   4.049
  235   1HD   LYS  30          1HD       LYS  30   4.309   6.584   2.685
  236   2HD   LYS  30          2HD       LYS  30   4.693   5.743   1.223
  237   1HE   LYS  30          1HE       LYS  30   2.205   5.502   2.992
  238   2HE   LYS  30          2HE       LYS  30   2.240   5.801   1.281
  239   1HZ   LYS  30          1HZ       LYS  30   1.742   3.591   1.283
  240   2HZ   LYS  30          2HZ       LYS  30   2.311   3.313   2.764
  241    H    ALA  31           H        ALA  31   9.334   7.079   2.152
  242    HA   ALA  31           HA       ALA  31  11.649   7.164   1.408
  243   1HB   ALA  31          1HB       ALA  31  12.811   5.125   2.289
  244   2HB   ALA  31          2HB       ALA  31  11.545   5.635   3.414
  245   3HB   ALA  31          3HB       ALA  31  11.291   4.224   2.355
  Start of MODEL    9
    1   1H    ILE   1          1H        ILE   1   7.980   1.979   7.115
    2   2H    ILE   1          2H        ILE   1   7.955   3.605   6.983
    3    HA   ILE   1           HA       ILE   1   7.881   3.522   4.629
    4    HB   ILE   1           HB       ILE   1   9.982   1.952   5.557
    5   1HG1  ILE   1          1HG1      ILE   1  10.874   4.712   5.482
    6   2HG1  ILE   1          2HG1      ILE   1   9.469   4.551   6.518
    7   1HG2  ILE   1          1HG2      ILE   1  11.438   3.102   3.748
    8   2HG2  ILE   1          2HG2      ILE   1  10.143   2.111   3.070
    9   3HG2  ILE   1          3HG2      ILE   1   9.944   3.875   3.159
   10   1HD1  ILE   1          1HD1      ILE   1  11.526   4.082   7.847
   11   2HD1  ILE   1          2HD1      ILE   1  10.484   2.635   7.769
   12   3HD1  ILE   1          3HD1      ILE   1  11.945   2.722   6.758
   13    H    CYS   2           H        CYS   2   8.108   2.189   2.625
   14    HA   CYS   2           HA       CYS   2   7.855  -0.781   2.830
   15   1HB   CYS   2          2HB       CYS   2   5.740  -0.670   1.465
   16   2HB   CYS   2          1HB       CYS   2   5.611  -0.144   3.136
   17    HG   CYS   2           HG       CYS   2   4.308   1.675   2.482
   18    H    GLU   3           H        GLU   3   9.277  -1.632   1.710
   19    HA   GLU   3           HA       GLU   3   9.586  -1.180  -1.276
   20   1HB   GLU   3          1HB       GLU   3  11.647  -1.944  -0.440
   21   2HB   GLU   3          2HB       GLU   3  10.927  -2.887   0.858
   22   1HG   GLU   3          2HG       GLU   3  10.441  -4.758  -0.733
   23   2HG   GLU   3          1HG       GLU   3  10.781  -3.738  -2.128
   24    HE2  GLU   3           HE2      GLU   3  14.262  -3.751  -0.678
   25    H    GLU   4           H        GLU   4   9.235  -2.830  -2.806
   26    HA   GLU   4           HA       GLU   4   6.332  -3.030  -2.626
   27   1HB   GLU   4          1HB       GLU   4   8.187  -2.195  -4.470
   28   2HB   GLU   4          2HB       GLU   4   7.842  -3.753  -5.185
   29   1HG   GLU   4          1HG       GLU   4   5.223  -2.773  -4.796
   30   2HG   GLU   4          2HG       GLU   4   6.097  -1.265  -5.044
   31    HE2  GLU   4           HE2      GLU   4   5.851  -3.974  -7.994
   32    HA   PRO   5           HA       PRO   5   5.472  -7.297  -2.611
   33   1HB   PRO   5          1HB       PRO   5   7.157  -9.202  -1.526
   34   2HB   PRO   5          2HB       PRO   5   7.313  -8.753  -3.234
   35   1HG   PRO   5          1HG       PRO   5   8.944  -7.679  -0.865
   36   2HG   PRO   5          2HG       PRO   5   9.571  -8.326  -2.396
   37   1HD   PRO   5          1HD       PRO   5   9.145  -5.606  -1.833
   38   2HD   PRO   5          2HD       PRO   5   9.185  -6.233  -3.518
   39    H    THR   6           H        THR   6   6.303  -5.055  -0.833
   40    HA   THR   6           HA       THR   6   5.167  -6.014   1.832
   41    HB   THR   6           HB       THR   6   6.588  -3.363   1.793
   42    HG1  THR   6           HG1      THR   6   8.019  -5.417   2.840
   43   1HG2  THR   6          1HG2      THR   6   5.107  -4.358   3.781
   44   2HG2  THR   6          2HG2      THR   6   6.489  -5.447   4.059
   45   3HG2  THR   6          3HG2      THR   6   6.702  -3.690   4.183
   46    H    CYS   7           H        CYS   7   5.076  -2.799   0.079
   47    HA   CYS   7           HA       CYS   7   2.759  -2.310  -0.263
   48   1HB   CYS   7          1HB       CYS   7   4.281  -2.107  -2.770
   49   2HB   CYS   7          2HB       CYS   7   3.182  -0.905  -2.127
   50    HG   CYS   7           HG       CYS   7   6.092  -0.732  -2.392
   51    H    ARG   8           H        ARG   8   3.442  -4.606  -1.798
   52    HA   ARG   8           HA       ARG   8   0.793  -5.074  -3.252
   53   1HB   ARG   8          1HB       ARG   8   2.050  -6.221  -4.620
   54   2HB   ARG   8          2HB       ARG   8   3.393  -6.495  -3.540
   55   1HG   ARG   8          1HG       ARG   8   2.395  -8.539  -2.622
   56   2HG   ARG   8          2HG       ARG   8   0.819  -8.154  -3.286
   57   1HD   ARG   8          1HD       ARG   8   1.914  -8.378  -5.662
   58   2HD   ARG   8          2HD       ARG   8   3.297  -9.117  -4.807
   59   1HH1  ARG   8          1HH1      ARG   8   3.544 -10.553  -3.370
   60   2HH1  ARG   8          2HH1      ARG   8   3.196 -12.310  -2.937
   61   1HH2  ARG   8          1HH2      ARG   8   0.150 -12.086  -4.387
   62   2HH2  ARG   8          2HH2      ARG   8   1.370 -13.144  -3.479
   63    H    ASN   9           H        ASN   9   2.421  -6.246  -0.586
   64    HA   ASN   9           HA       ASN   9   0.148  -7.190   1.054
   65   1HB   ASN   9          1HB       ASN   9   1.978  -8.016   2.022
   66   2HB   ASN   9          2HB       ASN   9   3.037  -6.793   1.377
   67   1HD2  ASN   9          2HD2      ASN   9   4.157  -6.639   3.313
   68   2HD2  ASN   9          1HD2      ASN   9   3.371  -5.851   4.776
   69    H    ARG  10           H        ARG  10   1.388  -3.903   0.550
   70    HA   ARG  10           HA       ARG  10  -0.888  -2.587   1.852
   71   1HB   ARG  10          2HB       ARG  10   1.432  -0.899   0.946
   72   2HB   ARG  10          1HB       ARG  10   0.287  -0.743   2.271
   73   1HG   ARG  10          1HG       ARG  10   1.641  -2.640   3.500
   74   2HG   ARG  10          2HG       ARG  10   2.854  -2.446   2.248
   75   1HD   ARG  10          1HD       ARG  10   3.646  -0.511   3.101
   76   2HD   ARG  10          2HD       ARG  10   2.045   0.102   3.549
   77   1HH1  ARG  10          1HH1      ARG  10   2.387   1.234   5.051
   78   2HH1  ARG  10          2HH1      ARG  10   2.940   1.490   6.790
   79   1HH2  ARG  10          1HH2      ARG  10   3.558  -1.821   7.106
   80   2HH2  ARG  10          2HH2      ARG  10   3.404  -0.181   7.950
   81    H    THR  11           H        THR  11  -0.659  -3.293  -0.649
   82    HA   THR  11           HA       THR  11  -2.160  -1.678  -2.205
   83    HB   THR  11           HB       THR  11  -0.572  -3.983  -2.473
   84    HG1  THR  11           HG1      THR  11  -0.800  -1.636  -3.954
   85   1HG2  THR  11          1HG2      THR  11  -1.944  -4.467  -5.021
   86   2HG2  THR  11          2HG2      THR  11  -2.979  -4.635  -3.571
   87   3HG2  THR  11          3HG2      THR  11  -2.912  -3.162  -4.476
   88    H    ARG  12           H        ARG  12  -1.856  -4.558  -0.840
   89    HA   ARG  12           HA       ARG  12  -4.379  -5.641  -0.166
   90   1HB   ARG  12          2HB       ARG  12  -2.688  -7.096  -0.374
   91   2HB   ARG  12          1HB       ARG  12  -1.812  -5.759   0.267
   92   1HG   ARG  12          2HG       ARG  12  -3.329  -8.081   1.732
   93   2HG   ARG  12          1HG       ARG  12  -1.625  -7.749   1.996
   94   1HD   ARG  12          1HD       ARG  12  -2.157  -5.767   3.308
   95   2HD   ARG  12          2HD       ARG  12  -3.854  -5.818   2.892
   96   1HH1  ARG  12          1HH1      ARG  12  -5.296  -7.384   2.916
   97   2HH1  ARG  12          2HH1      ARG  12  -6.191  -8.533   4.046
   98   1HH2  ARG  12          1HH2      ARG  12  -3.479  -8.712   6.058
   99   2HH2  ARG  12          2HH2      ARG  12  -5.175  -9.348   5.670
  100    H    HIS  13           H        HIS  13  -2.486  -4.261   2.315
  101    HA   HIS  13           HA       HIS  13  -4.509  -2.490   3.225
  102   1HB   HIS  13          1HB       HIS  13  -1.612  -1.578   3.562
  103   2HB   HIS  13          2HB       HIS  13  -2.843  -1.460   4.785
  104    HD2  HIS  13           HD2      HIS  13  -3.649  -4.600   5.058
  105    HE1  HIS  13           HE1      HIS  13   0.238  -4.934   6.516
  106    HE2  HIS  13           HE2      HIS  13  -2.070  -6.099   6.548
  107    H    LEU  14           H        LEU  14  -3.403  -2.270   0.757
  108    HA   LEU  14           HA       LEU  14  -4.819   0.010   0.379
  109   1HB   LEU  14          1HB       LEU  14  -3.385   0.071  -1.484
  110   2HB   LEU  14          2HB       LEU  14  -3.770  -1.593  -1.747
  111    HG   LEU  14           HG       LEU  14  -6.135  -0.856  -2.117
  112   1HD1  LEU  14          1HD1      LEU  14  -4.520   1.534  -3.110
  113   2HD1  LEU  14          2HD1      LEU  14  -6.249   1.216  -3.540
  114   3HD1  LEU  14          3HD1      LEU  14  -5.805   1.512  -1.848
  115   1HD2  LEU  14          1HD2      LEU  14  -3.929  -0.766  -4.201
  116   2HD2  LEU  14          2HD2      LEU  14  -5.020  -2.152  -3.802
  117   3HD2  LEU  14          3HD2      LEU  14  -5.707  -0.748  -4.586
  118    HA   PRO  15           HA       PRO  15  -8.725  -1.968   0.363
  119   1HB   PRO  15          1HB       PRO  15  -7.348  -4.624   1.234
  120   2HB   PRO  15          2HB       PRO  15  -9.133  -4.477   0.944
  121   1HG   PRO  15          1HG       PRO  15  -7.782  -5.352  -1.263
  122   2HG   PRO  15          2HG       PRO  15  -8.678  -3.822  -1.507
  123   1HD   PRO  15          1HD       PRO  15  -5.747  -4.229  -0.785
  124   2HD   PRO  15          2HD       PRO  15  -6.460  -3.097  -2.045
  125    H    LEU  16           H        LEU  16  -6.393  -1.794   2.085
  126    HA   LEU  16           HA       LEU  16  -7.870  -1.407   4.421
  127   1HB   LEU  16          1HB       LEU  16  -5.459  -2.355   4.801
  128   2HB   LEU  16          2HB       LEU  16  -4.935  -0.725   4.446
  129    HG   LEU  16           HG       LEU  16  -6.811  -0.186   6.367
  130   1HD1  LEU  16          1HD1      LEU  16  -6.440  -1.813   8.304
  131   2HD1  LEU  16          2HD1      LEU  16  -7.222  -2.620   6.935
  132   3HD1  LEU  16          3HD1      LEU  16  -5.489  -2.875   7.236
  133   1HD2  LEU  16          1HD2      LEU  16  -4.447   0.652   6.404
  134   2HD2  LEU  16          2HD2      LEU  16  -4.886   0.051   8.019
  135   3HD2  LEU  16          3HD2      LEU  16  -3.861  -0.935   6.944
  136    H    GLN  17           H        GLN  17  -8.903  -0.263   2.641
  137    HA   GLN  17           HA       GLN  17  -7.802   2.460   1.869
  138   1HB   GLN  17          1HB       GLN  17  -9.512   2.355   0.053
  139   2HB   GLN  17          2HB       GLN  17  -8.337   1.073   0.012
  140   1HG   GLN  17          1HG       GLN  17 -10.169  -0.297  -0.368
  141   2HG   GLN  17          2HG       GLN  17 -10.353  -0.286   1.371
  142   1HE2  GLN  17          2HE2      GLN  17 -11.093   2.144  -1.142
  143   2HE2  GLN  17          1HE2      GLN  17 -12.886   2.206  -0.707
  144    H    PHE  18           H        PHE  18  -8.107   3.385   3.732
  145    HA   PHE  18           HA       PHE  18 -10.154   5.548   3.720
  146   1HB   PHE  18          1HB       PHE  18  -7.281   4.943   4.637
  147   2HB   PHE  18          2HB       PHE  18  -7.501   6.597   4.153
  148    HD1  PHE  18           HD1      PHE  18  -9.677   7.786   5.443
  149    HD2  PHE  18           HD2      PHE  18  -7.333   4.439   6.772
  150    HE1  PHE  18           HE1      PHE  18 -10.410   8.194   7.654
  151    HE2  PHE  18           HE2      PHE  18  -8.034   4.803   9.007
  152    HZ   PHE  18           HZ       PHE  18  -9.487   6.817   9.600
  153    H    SER  19           H        SER  19  -7.536   4.497   1.906
  154    HA   SER  19           HA       SER  19  -7.443   6.596  -0.313
  155   1HB   SER  19          1HB       SER  19  -5.204   4.956  -0.338
  156   2HB   SER  19          2HB       SER  19  -5.456   6.682  -0.124
  157    HG   SER  19           HG       SER  19  -5.684   4.890   2.061
  158    H    ARG  20           H        ARG  20  -8.233   6.101  -2.142
  159    HA   ARG  20           HA       ARG  20  -7.822   3.370  -3.321
  160   1HB   ARG  20          2HB       ARG  20 -10.327   3.967  -3.446
  161   2HB   ARG  20          1HB       ARG  20  -9.788   5.356  -4.370
  162   1HG   ARG  20          2HG       ARG  20 -10.717   3.547  -5.864
  163   2HG   ARG  20          1HG       ARG  20  -9.022   3.844  -6.254
  164   1HD   ARG  20          1HD       ARG  20  -8.302   1.811  -5.088
  165   2HD   ARG  20          2HD       ARG  20  -9.877   1.598  -4.336
  166   1HH1  ARG  20          1HH1      ARG  20  -9.593  -0.438  -4.580
  167   2HH1  ARG  20          2HH1      ARG  20 -10.016  -1.922  -5.587
  168   1HH2  ARG  20          1HH2      ARG  20 -10.181  -0.014  -8.375
  169   2HH2  ARG  20          2HH2      ARG  20 -10.359  -1.699  -7.627
  170    H    THR  21           H        THR  21  -5.715   3.507  -3.696
  171    HA   THR  21           HA       THR  21  -3.773   4.630  -3.823
  172    HB   THR  21           HB       THR  21  -3.176   5.364  -5.859
  173    HG1  THR  21           HG1      THR  21  -5.360   6.869  -5.817
  174   1HG2  THR  21          1HG2      THR  21  -6.036   4.056  -6.508
  175   2HG2  THR  21          2HG2      THR  21  -4.614   3.950  -7.570
  176   3HG2  THR  21          3HG2      THR  21  -4.645   3.064  -6.021
  177    H    GLY  22           H        GLY  22  -5.446   5.867  -2.080
  178   1HA   GLY  22          1HA       GLY  22  -4.482   8.715  -1.885
  179   2HA   GLY  22          2HA       GLY  22  -5.645   7.928  -0.872
  180    HA   PRO  23           HA       PRO  23  -2.482   6.254  -2.184
  181   1HB   PRO  23          1HB       PRO  23   0.149   6.392  -1.919
  182   2HB   PRO  23          2HB       PRO  23  -0.774   7.870  -1.723
  183   1HG   PRO  23          1HG       PRO  23   0.376   5.993   0.481
  184   2HG   PRO  23          2HG       PRO  23   0.566   7.760   0.390
  185   1HD   PRO  23          2HD       PRO  23  -1.448   6.265   1.681
  186   2HD   PRO  23          1HD       PRO  23  -1.536   8.064   1.470
  187    H    LEU  24           H        LEU  24  -3.301   3.842  -1.972
  188    HA   LEU  24           HA       LEU  24  -0.923   2.195  -1.388
  189   1HB   LEU  24          1HB       LEU  24  -3.562   0.980  -0.690
  190   2HB   LEU  24          2HB       LEU  24  -2.156   0.658   0.062
  191    HG   LEU  24           HG       LEU  24  -2.409   3.350   0.849
  192   1HD1  LEU  24          1HD2      LEU  24  -4.741   3.932   1.368
  193   2HD1  LEU  24          2HD2      LEU  24  -4.700   3.540  -0.361
  194   3HD1  LEU  24          3HD2      LEU  24  -5.363   2.429   0.807
  195   1HD2  LEU  24          1HD1      LEU  24  -3.906   0.994   2.203
  196   2HD2  LEU  24          2HD1      LEU  24  -2.182   1.423   2.456
  197   3HD2  LEU  24          3HD1      LEU  24  -3.463   2.515   3.008
  198    H    CYS  25           H        CYS  25  -0.956  -0.221  -2.307
  199    HA   CYS  25           HA       CYS  25   0.625   1.594  -2.085
  200   1HB   CYS  25          2HB       CYS  25   0.162  -0.171  -0.735
  201   2HB   CYS  25          1HB       CYS  25   1.485  -0.520  -1.687
  202    HG   CYS  25           HG       CYS  25   1.192   1.987  -0.318
  203    HA   PRO  26           HA       PRO  26   2.850   2.189  -5.431
  204   1HB   PRO  26          1HB       PRO  26   2.104   1.729  -7.973
  205   2HB   PRO  26          2HB       PRO  26   2.618   0.291  -7.061
  206   1HG   PRO  26          1HG       PRO  26  -0.227   1.333  -7.516
  207   2HG   PRO  26          2HG       PRO  26   0.419  -0.331  -7.689
  208   1HD   PRO  26          1HD       PRO  26  -0.798   0.784  -5.324
  209   2HD   PRO  26          2HD       PRO  26   0.011  -0.826  -5.458
  210    H    ALA  27           H        ALA  27   0.070   2.750  -4.153
  211    HA   ALA  27           HA       ALA  27   0.084   5.608  -5.320
  212   1HB   ALA  27          1HB       ALA  27  -2.134   4.768  -4.697
  213   2HB   ALA  27          2HB       ALA  27  -1.552   4.234  -3.115
  214   3HB   ALA  27          3HB       ALA  27  -1.621   5.973  -3.487
  215    H    CYS  28           H        CYS  28   2.001   3.515  -3.570
  216    HA   CYS  28           HA       CYS  28   2.103   4.870  -1.060
  217   1HB   CYS  28          1HB       CYS  28   3.401   3.249  -0.207
  218   2HB   CYS  28          2HB       CYS  28   2.777   2.502  -1.625
  219    HG   CYS  28           HG       CYS  28   4.922   2.908  -3.185
  220    H    MET  29           H        MET  29   2.513   7.052  -0.878
  221    HA   MET  29           HA       MET  29   5.326   7.970  -1.274
  222   1HB   MET  29          1HB       MET  29   2.757   9.235  -0.174
  223   2HB   MET  29          2HB       MET  29   4.299  10.073  -0.071
  224   1HG   MET  29          1HG       MET  29   3.370   8.971  -2.789
  225   2HG   MET  29          2HG       MET  29   2.639  10.443  -2.160
  226   1HE   MET  29          1HE       MET  29   5.313  11.242  -5.024
  227   2HE   MET  29          2HE       MET  29   3.770  10.376  -4.740
  228   3HE   MET  29          3HE       MET  29   3.895  12.123  -4.380
  229    H    LYS  30           H        LYS  30   5.864   5.971   0.136
  230    HA   LYS  30           HA       LYS  30   6.600   6.881   2.841
  231   1HB   LYS  30          1HB       LYS  30   6.533   4.060   1.609
  232   2HB   LYS  30          2HB       LYS  30   7.209   4.394   3.185
  233   1HG   LYS  30          1HG       LYS  30   5.010   3.600   3.645
  234   2HG   LYS  30          2HG       LYS  30   5.011   5.313   4.001
  235   1HD   LYS  30          1HD       LYS  30   4.053   5.475   1.434
  236   2HD   LYS  30          2HD       LYS  30   3.691   3.802   1.675
  237   1HE   LYS  30          1HE       LYS  30   2.275   6.216   2.661
  238   2HE   LYS  30          2HE       LYS  30   1.625   4.612   2.501
  239   1HZ   LYS  30          1HZ       LYS  30   3.158   5.805   4.761
  240   2HZ   LYS  30          2HZ       LYS  30   3.082   4.201   4.648
  241    H    ALA  31           H        ALA  31   8.892   4.732   2.705
  242    HA   ALA  31           HA       ALA  31  10.996   6.865   2.026
  243   1HB   ALA  31          1HB       ALA  31  12.423   5.900   3.848
  244   2HB   ALA  31          2HB       ALA  31  10.899   6.493   4.521
  245   3HB   ALA  31          3HB       ALA  31  11.161   4.745   4.296
  Start of MODEL   10
    1   1H    ILE   1          1H        ILE   1   9.501   4.000   3.657
    2   2H    ILE   1          2H        ILE   1  10.213   4.096   5.122
    3    HA   ILE   1           HA       ILE   1   9.990   1.813   5.538
    4    HB   ILE   1           HB       ILE   1   7.874   3.482   5.125
    5   1HG1  ILE   1          1HG1      ILE   1   8.224   2.020   7.718
    6   2HG1  ILE   1          2HG1      ILE   1   9.419   3.202   7.220
    7   1HG2  ILE   1          1HG2      ILE   1   6.040   1.878   5.999
    8   2HG2  ILE   1          2HG2      ILE   1   6.593   1.447   4.379
    9   3HG2  ILE   1          3HG2      ILE   1   7.200   0.542   5.782
   10   1HD1  ILE   1          1HD1      ILE   1   7.632   4.345   8.529
   11   2HD1  ILE   1          2HD1      ILE   1   7.676   4.961   6.855
   12   3HD1  ILE   1          3HD1      ILE   1   6.397   3.825   7.340
   13    H    CYS   2           H        CYS   2   8.016   2.283   2.702
   14    HA   CYS   2           HA       CYS   2   7.026   0.047   2.127
   15   1HB   CYS   2          2HB       CYS   2   7.421   2.086   0.517
   16   2HB   CYS   2          1HB       CYS   2   8.401   0.927  -0.368
   17    HG   CYS   2           HG       CYS   2   5.864  -0.604   0.521
   18    H    GLU   3           H        GLU   3   9.869  -0.334   0.026
   19    HA   GLU   3           HA       GLU   3  10.095  -2.332  -1.303
   20   1HB   GLU   3          1HB       GLU   3  11.693  -3.114   0.155
   21   2HB   GLU   3          2HB       GLU   3  10.738  -2.738   1.584
   22   1HG   GLU   3          2HG       GLU   3   9.488  -4.977   1.247
   23   2HG   GLU   3          1HG       GLU   3  10.462  -5.283  -0.188
   24    HE2  GLU   3           HE2      GLU   3  11.815  -6.885   2.810
   25    H    GLU   4           H        GLU   4   9.169  -3.721  -2.481
   26    HA   GLU   4           HA       GLU   4   6.290  -3.574  -2.131
   27   1HB   GLU   4          1HB       GLU   4   7.991  -4.661  -4.475
   28   2HB   GLU   4          2HB       GLU   4   6.292  -4.265  -4.602
   29   1HG   GLU   4          1HG       GLU   4   7.106  -1.800  -3.762
   30   2HG   GLU   4          2HG       GLU   4   8.693  -2.350  -4.291
   31    HE2  GLU   4           HE2      GLU   4   6.568  -2.849  -7.467
   32    HA   PRO   5           HA       PRO   5   4.938  -7.637  -1.360
   33   1HB   PRO   5          1HB       PRO   5   6.397  -9.449   0.137
   34   2HB   PRO   5          2HB       PRO   5   6.626  -9.357  -1.619
   35   1HG   PRO   5          1HG       PRO   5   8.315  -7.990   0.552
   36   2HG   PRO   5          2HG       PRO   5   8.902  -9.004  -0.783
   37   1HD   PRO   5          2HD       PRO   5   8.816  -6.186  -0.893
   38   2HD   PRO   5          1HD       PRO   5   8.687  -7.241  -2.343
   39    H    THR   6           H        THR   6   5.930  -5.183   0.001
   40    HA   THR   6           HA       THR   6   4.598  -5.533   2.732
   41    HB   THR   6           HB       THR   6   5.952  -2.922   2.084
   42    HG1  THR   6           HG1      THR   6   7.215  -4.975   3.534
   43   1HG2  THR   6          1HG2      THR   6   4.950  -4.405   4.570
   44   2HG2  THR   6          2HG2      THR   6   6.337  -3.302   4.746
   45   3HG2  THR   6          3HG2      THR   6   4.782  -2.688   4.153
   46    H    CYS   7           H        CYS   7   4.648  -2.935   0.303
   47    HA   CYS   7           HA       CYS   7   2.403  -2.263  -0.302
   48   1HB   CYS   7          2HB       CYS   7   3.983  -0.891  -0.937
   49   2HB   CYS   7          1HB       CYS   7   5.033  -2.225  -1.370
   50    HG   CYS   7           HG       CYS   7   4.693  -2.419  -3.725
   51    H    ARG   8           H        ARG   8   3.134  -4.693  -1.656
   52    HA   ARG   8           HA       ARG   8   0.610  -5.182  -3.333
   53   1HB   ARG   8          2HB       ARG   8   2.849  -7.209  -2.974
   54   2HB   ARG   8          1HB       ARG   8   1.363  -7.235  -3.963
   55   1HG   ARG   8          2HG       ARG   8   2.330  -5.371  -5.397
   56   2HG   ARG   8          1HG       ARG   8   3.820  -5.425  -4.472
   57   1HD   ARG   8          1HD       ARG   8   4.371  -7.663  -5.298
   58   2HD   ARG   8          2HD       ARG   8   2.723  -7.895  -5.947
   59   1HH1  ARG   8          1HH1      ARG   8   4.872  -8.811  -7.027
   60   2HH1  ARG   8          2HH1      ARG   8   5.642  -8.703  -8.697
   61   1HH2  ARG   8          1HH2      ARG   8   4.135  -5.715  -9.208
   62   2HH2  ARG   8          2HH2      ARG   8   5.223  -7.047  -9.895
   63    H    ASN   9           H        ASN   9   2.230  -6.364  -0.686
   64    HA   ASN   9           HA       ASN   9   0.038  -7.226   1.122
   65   1HB   ASN   9          2HB       ASN   9   2.949  -6.496   1.492
   66   2HB   ASN   9          1HB       ASN   9   1.833  -6.699   2.850
   67   1HD2  ASN   9          2HD2      ASN   9   2.868  -8.531   3.606
   68   2HD2  ASN   9          1HD2      ASN   9   2.765 -10.107   2.663
   69    H    ARG  10           H        ARG  10   1.227  -4.021   0.328
   70    HA   ARG  10           HA       ARG  10  -0.889  -2.552   1.753
   71   1HB   ARG  10          2HB       ARG  10   1.424  -0.964   0.581
   72   2HB   ARG  10          1HB       ARG  10   0.274  -0.649   1.850
   73   1HG   ARG  10          1HG       ARG  10   1.728  -2.588   3.170
   74   2HG   ARG  10          2HG       ARG  10   2.967  -2.044   2.056
   75   1HD   ARG  10          1HD       ARG  10   2.722   0.275   2.840
   76   2HD   ARG  10          2HD       ARG  10   1.423  -0.213   3.942
   77   1HH1  ARG  10          1HH1      ARG  10   1.591   0.343   5.668
   78   2HH1  ARG  10          2HH1      ARG  10   2.411   0.274   7.317
   79   1HH2  ARG  10          1HH2      ARG  10   5.058  -1.338   5.959
   80   2HH2  ARG  10          2HH2      ARG  10   4.307  -0.571   7.468
   81    H    THR  11           H        THR  11  -0.863  -3.366  -0.732
   82    HA   THR  11           HA       THR  11  -2.440  -1.766  -2.235
   83    HB   THR  11           HB       THR  11  -0.832  -4.046  -2.554
   84    HG1  THR  11           HG1      THR  11  -0.520  -1.849  -3.572
   85   1HG2  THR  11          1HG2      THR  11  -2.367  -4.644  -4.985
   86   2HG2  THR  11          2HG2      THR  11  -3.296  -4.793  -3.462
   87   3HG2  THR  11          3HG2      THR  11  -3.330  -3.347  -4.411
   88    H    ARG  12           H        ARG  12  -2.057  -4.633  -0.829
   89    HA   ARG  12           HA       ARG  12  -4.540  -5.640   0.056
   90   1HB   ARG  12          2HB       ARG  12  -2.885  -7.125  -0.242
   91   2HB   ARG  12          1HB       ARG  12  -1.954  -5.793   0.328
   92   1HG   ARG  12          1HG       ARG  12  -3.331  -8.130   1.912
   93   2HG   ARG  12          2HG       ARG  12  -1.638  -7.688   2.071
   94   1HD   ARG  12          1HD       ARG  12  -2.113  -5.838   3.462
   95   2HD   ARG  12          2HD       ARG  12  -3.801  -5.745   3.021
   96   1HH1  ARG  12          1HH1      ARG  12  -0.933  -6.692   4.627
   97   2HH1  ARG  12          2HH1      ARG  12  -0.664  -7.684   6.156
   98   1HH2  ARG  12          1HH2      ARG  12  -3.889  -8.701   6.096
   99   2HH2  ARG  12          2HH2      ARG  12  -2.256  -8.748   6.967
  100    H    HIS  13           H        HIS  13  -2.466  -4.290   2.387
  101    HA   HIS  13           HA       HIS  13  -4.393  -2.418   3.358
  102   1HB   HIS  13          1HB       HIS  13  -1.264  -2.229   3.504
  103   2HB   HIS  13          2HB       HIS  13  -2.270  -1.036   4.273
  104    HD2  HIS  13           HD2      HIS  13  -1.948  -4.957   4.739
  105    HE1  HIS  13           HE1      HIS  13  -1.688  -3.134   8.471
  106    HE2  HIS  13           HE2      HIS  13  -1.568  -5.437   7.303
  107    H    LEU  14           H        LEU  14  -3.460  -2.248   0.827
  108    HA   LEU  14           HA       LEU  14  -4.882   0.012   0.494
  109   1HB   LEU  14          1HB       LEU  14  -3.592  -0.021  -1.510
  110   2HB   LEU  14          2HB       LEU  14  -4.059  -1.673  -1.709
  111    HG   LEU  14           HG       LEU  14  -6.415  -0.884  -1.876
  112   1HD1  LEU  14          1HD1      LEU  14  -4.857   1.501  -2.973
  113   2HD1  LEU  14          2HD1      LEU  14  -6.620   1.212  -3.259
  114   3HD1  LEU  14          3HD1      LEU  14  -6.029   1.471  -1.606
  115   1HD2  LEU  14          1HD2      LEU  14  -4.405  -0.791  -4.155
  116   2HD2  LEU  14          2HD2      LEU  14  -5.473  -2.170  -3.681
  117   3HD2  LEU  14          3HD2      LEU  14  -6.210  -0.747  -4.379
  118    HA   PRO  15           HA       PRO  15  -8.806  -1.945   0.807
  119   1HB   PRO  15          1HB       PRO  15  -7.347  -4.570   1.654
  120   2HB   PRO  15          2HB       PRO  15  -9.151  -4.441   1.509
  121   1HG   PRO  15          1HG       PRO  15  -7.985  -5.377  -0.776
  122   2HG   PRO  15          2HG       PRO  15  -8.906  -3.858  -0.990
  123   1HD   PRO  15          1HD       PRO  15  -5.923  -4.239  -0.506
  124   2HD   PRO  15          2HD       PRO  15  -6.741  -3.131  -1.728
  125    H    LEU  16           H        LEU  16  -6.374  -1.696   2.368
  126    HA   LEU  16           HA       LEU  16  -7.709  -1.265   4.781
  127   1HB   LEU  16          1HB       LEU  16  -5.006  -1.823   4.732
  128   2HB   LEU  16          2HB       LEU  16  -4.983  -0.077   4.817
  129    HG   LEU  16           HG       LEU  16  -6.798  -1.406   6.803
  130   1HD1  LEU  16          1HD2      LEU  16  -3.734  -1.633   7.048
  131   2HD1  LEU  16          2HD2      LEU  16  -4.864  -1.952   8.383
  132   3HD1  LEU  16          3HD2      LEU  16  -4.883  -2.982   6.928
  133   1HD2  LEU  16          1HD1      LEU  16  -5.693   0.272   8.394
  134   2HD2  LEU  16          2HD1      LEU  16  -4.613   0.795   7.091
  135   3HD2  LEU  16          3HD1      LEU  16  -6.362   1.077   6.953
  136    H    GLN  17           H        GLN  17  -8.996  -0.254   3.090
  137    HA   GLN  17           HA       GLN  17  -8.078   2.476   2.147
  138   1HB   GLN  17          1HB       GLN  17  -9.165   2.065   0.179
  139   2HB   GLN  17          2HB       GLN  17  -8.695   0.453   0.632
  140   1HG   GLN  17          1HG       GLN  17 -11.187   0.248   1.639
  141   2HG   GLN  17          2HG       GLN  17 -11.545   1.641   0.645
  142   1HE2  GLN  17          2HE2      GLN  17  -9.834   0.917  -1.562
  143   2HE2  GLN  17          1HE2      GLN  17 -10.600  -0.591  -2.308
  144    H    PHE  18           H        PHE  18  -8.514   3.447   4.025
  145    HA   PHE  18           HA       PHE  18 -10.664   5.496   3.801
  146   1HB   PHE  18          1HB       PHE  18  -8.068   4.972   5.183
  147   2HB   PHE  18          2HB       PHE  18  -7.873   6.453   4.295
  148    HD1  PHE  18           HD1      PHE  18  -9.032   4.939   7.291
  149    HD2  PHE  18           HD2      PHE  18  -9.149   8.492   4.877
  150    HE1  PHE  18           HE1      PHE  18  -9.042   6.236   9.261
  151    HE2  PHE  18           HE2      PHE  18  -9.165   9.843   6.824
  152    HZ   PHE  18           HZ       PHE  18  -9.216   8.781   9.144
  153    H    SER  19           H        SER  19  -7.895   4.513   2.197
  154    HA   SER  19           HA       SER  19  -7.720   6.532  -0.087
  155   1HB   SER  19          1HB       SER  19  -5.456   5.026  -0.062
  156   2HB   SER  19          2HB       SER  19  -5.782   6.705   0.342
  157    HG   SER  19           HG       SER  19  -6.207   6.069   2.526
  158    H    ARG  20           H        ARG  20  -8.476   5.993  -1.886
  159    HA   ARG  20           HA       ARG  20  -8.001   3.269  -3.062
  160   1HB   ARG  20          2HB       ARG  20 -10.535   3.913  -3.183
  161   2HB   ARG  20          1HB       ARG  20  -9.952   5.212  -4.200
  162   1HG   ARG  20          1HG       ARG  20 -10.933   3.240  -5.522
  163   2HG   ARG  20          2HG       ARG  20  -9.280   3.636  -5.984
  164   1HD   ARG  20          1HD       ARG  20  -8.577   1.763  -4.225
  165   2HD   ARG  20          2HD       ARG  20 -10.255   1.250  -4.344
  166   1HH1  ARG  20          1HH1      ARG  20  -9.965  -0.659  -4.639
  167   2HH1  ARG  20          2HH1      ARG  20  -9.917  -1.999  -5.904
  168   1HH2  ARG  20          1HH2      ARG  20  -8.200   0.052  -7.989
  169   2HH2  ARG  20          2HH2      ARG  20  -8.865  -1.650  -7.682
  170    H    THR  21           H        THR  21  -5.887   3.519  -3.319
  171    HA   THR  21           HA       THR  21  -3.967   4.626  -3.525
  172    HB   THR  21           HB       THR  21  -3.400   5.399  -5.547
  173    HG1  THR  21           HG1      THR  21  -4.423   6.731  -6.808
  174   1HG2  THR  21          1HG2      THR  21  -6.291   4.156  -6.191
  175   2HG2  THR  21          2HG2      THR  21  -4.887   4.060  -7.278
  176   3HG2  THR  21          3HG2      THR  21  -4.909   3.129  -5.755
  177    H    GLY  22           H        GLY  22  -5.590   5.815  -1.705
  178   1HA   GLY  22          1HA       GLY  22  -4.654   8.656  -1.454
  179   2HA   GLY  22          2HA       GLY  22  -5.696   7.796  -0.371
  180    HA   PRO  23           HA       PRO  23  -2.631   6.213  -1.973
  181   1HB   PRO  23          1HB       PRO  23   0.015   6.333  -1.924
  182   2HB   PRO  23          2HB       PRO  23  -0.887   7.812  -1.652
  183   1HG   PRO  23          1HG       PRO  23   0.438   5.931   0.448
  184   2HG   PRO  23          2HG       PRO  23   0.620   7.699   0.344
  185   1HD   PRO  23          2HD       PRO  23  -1.276   6.207   1.800
  186   2HD   PRO  23          1HD       PRO  23  -1.387   8.003   1.589
  187    H    LEU  24           H        LEU  24  -3.329   3.817  -1.955
  188    HA   LEU  24           HA       LEU  24  -1.000   2.109  -1.339
  189   1HB   LEU  24          1HB       LEU  24  -3.818   1.407  -0.389
  190   2HB   LEU  24          2HB       LEU  24  -2.529   0.502   0.021
  191    HG   LEU  24           HG       LEU  24  -2.697   3.489   0.903
  192   1HD1  LEU  24          1HD2      LEU  24  -3.774   2.869   3.017
  193   2HD1  LEU  24          2HD2      LEU  24  -4.773   2.176   1.725
  194   3HD1  LEU  24          3HD2      LEU  24  -3.715   1.181   2.688
  195   1HD2  LEU  24          1HD1      LEU  24  -1.282   1.076   2.249
  196   2HD2  LEU  24          2HD1      LEU  24  -0.465   2.383   1.330
  197   3HD2  LEU  24          3HD1      LEU  24  -1.265   2.741   2.870
  198    H    CYS  25           H        CYS  25  -1.188  -0.342  -2.138
  199    HA   CYS  25           HA       CYS  25   0.486   1.430  -2.253
  200   1HB   CYS  25          1HB       CYS  25   0.522  -0.430  -0.941
  201   2HB   CYS  25          2HB       CYS  25   1.687  -0.674  -2.225
  202    HG   CYS  25           HG       CYS  25   1.237   1.565  -0.206
  203    HA   PRO  26           HA       PRO  26   2.062   1.934  -6.023
  204   1HB   PRO  26          1HB       PRO  26   0.735   1.611  -8.348
  205   2HB   PRO  26          2HB       PRO  26   1.309   0.114  -7.576
  206   1HG   PRO  26          1HG       PRO  26  -1.470   1.388  -7.427
  207   2HG   PRO  26          2HG       PRO  26  -1.009  -0.326  -7.686
  208   1HD   PRO  26          1HD       PRO  26  -1.599   0.939  -5.149
  209   2HD   PRO  26          2HD       PRO  26  -1.041  -0.759  -5.401
  210    H    ALA  27           H        ALA  27  -0.327   2.697  -4.190
  211    HA   ALA  27           HA       ALA  27  -0.128   5.587  -5.268
  212   1HB   ALA  27          1HB       ALA  27  -2.382   5.021  -4.488
  213   2HB   ALA  27          2HB       ALA  27  -1.755   4.339  -2.981
  214   3HB   ALA  27          3HB       ALA  27  -1.614   6.087  -3.284
  215    H    CYS  28           H        CYS  28   1.734   3.248  -3.991
  216    HA   CYS  28           HA       CYS  28   2.622   4.446  -1.543
  217   1HB   CYS  28          1HB       CYS  28   4.101   2.725  -1.180
  218   2HB   CYS  28          2HB       CYS  28   2.857   2.086  -2.181
  219    HG   CYS  28           HG       CYS  28   6.019   2.339  -2.610
  220    H    MET  29           H        MET  29   3.580   6.147  -0.988
  221    HA   MET  29           HA       MET  29   6.016   7.186  -2.454
  222   1HB   MET  29          1HB       MET  29   3.613   8.864  -1.575
  223   2HB   MET  29          2HB       MET  29   5.217   9.579  -1.656
  224   1HG   MET  29          1HG       MET  29   5.182   8.473  -4.166
  225   2HG   MET  29          2HG       MET  29   3.441   8.543  -3.920
  226   1HE   MET  29          1HE       MET  29   2.035  10.771  -4.590
  227   2HE   MET  29          2HE       MET  29   2.266  10.667  -2.816
  228   3HE   MET  29          3HE       MET  29   2.501  12.226  -3.660
  229    H    LYS  30           H        LYS  30   6.468   5.491  -0.684
  230    HA   LYS  30           HA       LYS  30   7.127   6.742   1.902
  231   1HB   LYS  30          1HB       LYS  30   7.248   3.717   1.549
  232   2HB   LYS  30          2HB       LYS  30   6.818   4.673   2.946
  233   1HG   LYS  30          1HG       LYS  30   5.016   3.843   0.663
  234   2HG   LYS  30          2HG       LYS  30   4.760   3.758   2.391
  235   1HD   LYS  30          1HD       LYS  30   4.854   6.548   1.991
  236   2HD   LYS  30          2HD       LYS  30   4.288   6.038   0.439
  237   1HE   LYS  30          1HE       LYS  30   2.347   6.598   1.809
  238   2HE   LYS  30          2HE       LYS  30   2.261   4.874   1.611
  239   1HZ   LYS  30          1HZ       LYS  30   3.672   4.965   3.856
  240   2HZ   LYS  30          2HZ       LYS  30   2.063   5.043   3.869
  241    H    ALA  31           H        ALA  31   9.029   5.498   3.066
  242    HA   ALA  31           HA       ALA  31  11.477   5.421   3.317
  243   1HB   ALA  31          1HB       ALA  31  12.213   3.573   1.787
  244   2HB   ALA  31          2HB       ALA  31  10.593   3.235   2.410
  245   3HB   ALA  31          3HB       ALA  31  10.810   3.813   0.738
  Start of MODEL   11
    1   1H    ILE   1          1H        ILE   1   9.546   2.744   4.347
    2   2H    ILE   1          2H        ILE   1   9.396   2.661   5.970
    3    HA   ILE   1           HA       ILE   1   7.734   1.029   5.877
    4    HB   ILE   1           HB       ILE   1   7.453   3.493   4.715
    5   1HG1  ILE   1          1HG1      ILE   1   5.695   2.687   6.998
    6   2HG1  ILE   1          2HG1      ILE   1   7.424   2.809   7.264
    7   1HG2  ILE   1          1HG2      ILE   1   4.870   3.371   4.484
    8   2HG2  ILE   1          2HG2      ILE   1   5.700   2.389   3.275
    9   3HG2  ILE   1          3HG2      ILE   1   5.003   1.608   4.711
   10   1HD1  ILE   1          1HD1      ILE   1   6.371   5.030   7.681
   11   2HD1  ILE   1          2HD1      ILE   1   7.510   5.122   6.311
   12   3HD1  ILE   1          3HD1      ILE   1   5.760   5.082   5.998
   13    H    CYS   2           H        CYS   2   7.814   1.970   2.434
   14    HA   CYS   2           HA       CYS   2   8.281  -0.912   1.740
   15   1HB   CYS   2          2HB       CYS   2   6.981   0.659  -0.320
   16   2HB   CYS   2          1HB       CYS   2   6.501  -0.873   0.401
   17    HG   CYS   2           HG       CYS   2   5.005  -0.208   2.091
   18    H    GLU   3           H        GLU   3  10.181  -0.357  -1.319
   19    HA   GLU   3           HA       GLU   3  10.678  -2.647  -0.819
   20   1HB   GLU   3          1HB       GLU   3  10.396  -1.655   1.725
   21   2HB   GLU   3          2HB       GLU   3   8.926  -2.621   1.693
   22   1HG   GLU   3          2HG       GLU   3  10.263  -4.707   1.392
   23   2HG   GLU   3          1HG       GLU   3  11.716  -3.795   0.995
   24    HE2  GLU   3           HE2      GLU   3  11.648  -2.624   4.499
   25    H    GLU   4           H        GLU   4   9.910  -3.974  -2.198
   26    HA   GLU   4           HA       GLU   4   6.991  -4.012  -2.678
   27   1HB   GLU   4          1HB       GLU   4   9.568  -4.601  -4.123
   28   2HB   GLU   4          2HB       GLU   4   8.231  -5.577  -4.687
   29   1HG   GLU   4          1HG       GLU   4   6.892  -3.346  -5.058
   30   2HG   GLU   4          2HG       GLU   4   8.368  -2.468  -4.666
   31    HE2  GLU   4           HE2      GLU   4   9.858  -3.108  -7.676
   32    HA   PRO   5           HA       PRO   5   5.850  -7.923  -1.244
   33   1HB   PRO   5          1HB       PRO   5   7.244  -9.422   0.615
   34   2HB   PRO   5          2HB       PRO   5   7.617  -9.589  -1.110
   35   1HG   PRO   5          1HG       PRO   5   9.093  -7.887   0.969
   36   2HG   PRO   5          2HG       PRO   5   9.805  -9.007  -0.210
   37   1HD   PRO   5          2HD       PRO   5   9.559  -6.192  -0.591
   38   2HD   PRO   5          1HD       PRO   5   9.718  -7.394  -1.918
   39    H    THR   6           H        THR   6   6.674  -5.214  -0.263
   40    HA   THR   6           HA       THR   6   4.999  -5.281   2.277
   41    HB   THR   6           HB       THR   6   6.342  -2.683   1.538
   42    HG1  THR   6           HG1      THR   6   7.456  -4.940   2.767
   43   1HG2  THR   6          1HG2      THR   6   5.044  -2.135   3.400
   44   2HG2  THR   6          2HG2      THR   6   4.832  -3.835   3.888
   45   3HG2  THR   6          3HG2      THR   6   6.310  -2.961   4.332
   46    H    CYS   7           H        CYS   7   5.264  -2.890  -0.416
   47    HA   CYS   7           HA       CYS   7   3.071  -2.513  -1.349
   48   1HB   CYS   7          1HB       CYS   7   5.631  -2.766  -2.677
   49   2HB   CYS   7          2HB       CYS   7   4.276  -2.170  -3.643
   50    HG   CYS   7           HG       CYS   7   6.226  -0.476  -2.470
   51    H    ARG   8           H        ARG   8   3.821  -5.213  -2.068
   52    HA   ARG   8           HA       ARG   8   1.113  -5.681  -3.416
   53   1HB   ARG   8          1HB       ARG   8   2.040  -7.345  -4.506
   54   2HB   ARG   8          2HB       ARG   8   3.454  -7.518  -3.499
   55   1HG   ARG   8          1HG       ARG   8   2.379  -9.158  -2.045
   56   2HG   ARG   8          2HG       ARG   8   0.775  -8.713  -2.595
   57   1HD   ARG   8          1HD       ARG   8   1.374  -9.648  -4.923
   58   2HD   ARG   8          2HD       ARG   8   2.894 -10.250  -4.204
   59   1HH1  ARG   8          1HH1      ARG   8   3.525 -11.703  -3.320
   60   2HH1  ARG   8          2HH1      ARG   8   3.296 -13.396  -2.629
   61   1HH2  ARG   8          1HH2      ARG   8  -0.057 -12.955  -2.590
   62   2HH2  ARG   8          2HH2      ARG   8   1.376 -14.052  -2.177
   63    H    ASN   9           H        ASN   9   2.604  -6.440  -0.555
   64    HA   ASN   9           HA       ASN   9   0.235  -6.859   1.149
   65   1HB   ASN   9          1HB       ASN   9   2.012  -7.593   2.278
   66   2HB   ASN   9          2HB       ASN   9   3.136  -6.489   1.534
   67   1HD2  ASN   9          2HD2      ASN   9   2.868  -7.288   4.305
   68   2HD2  ASN   9          1HD2      ASN   9   2.600  -5.707   5.204
   69    H    ARG  10           H        ARG  10   1.521  -3.648  -0.134
   70    HA   ARG  10           HA       ARG  10  -0.634  -2.348   1.354
   71   1HB   ARG  10          2HB       ARG  10   0.829  -0.123   1.016
   72   2HB   ARG  10          1HB       ARG  10   1.388  -1.431   2.020
   73   1HG   ARG  10          1HG       ARG  10   3.035  -0.509  -0.127
   74   2HG   ARG  10          2HG       ARG  10   2.941  -2.185   0.290
   75   1HD   ARG  10          1HD       ARG  10   1.742  -2.672  -1.562
   76   2HD   ARG  10          2HD       ARG  10   0.700  -1.247  -1.408
   77   1HH1  ARG  10          1HH1      ARG  10   0.368  -1.709  -3.541
   78   2HH1  ARG  10          2HH1      ARG  10   0.959  -1.662  -5.294
   79   1HH2  ARG  10          1HH2      ARG  10   3.777  -0.095  -4.263
   80   2HH2  ARG  10          2HH2      ARG  10   2.808  -0.777  -5.688
   81    H    THR  11           H        THR  11  -0.467  -3.156  -1.248
   82    HA   THR  11           HA       THR  11  -2.228  -1.524  -2.468
   83    HB   THR  11           HB       THR  11  -0.515  -3.419  -3.229
   84    HG1  THR  11           HG1      THR  11  -1.912  -1.463  -4.552
   85   1HG2  THR  11          1HG2      THR  11  -2.317  -4.770  -5.089
   86   2HG2  THR  11          2HG2      THR  11  -2.683  -5.011  -3.353
   87   3HG2  THR  11          3HG2      THR  11  -3.482  -3.798  -4.292
   88    H    ARG  12           H        ARG  12  -1.753  -4.442  -1.188
   89    HA   ARG  12           HA       ARG  12  -4.172  -5.595  -0.296
   90   1HB   ARG  12          2HB       ARG  12  -2.389  -6.952  -0.604
   91   2HB   ARG  12          1HB       ARG  12  -1.585  -5.559   0.003
   92   1HG   ARG  12          2HG       ARG  12  -3.091  -7.873   1.546
   93   2HG   ARG  12          1HG       ARG  12  -1.350  -7.731   1.660
   94   1HD   ARG  12          1HD       ARG  12  -1.516  -5.823   3.121
   95   2HD   ARG  12          2HD       ARG  12  -3.203  -5.536   2.764
   96   1HH1  ARG  12          1HH1      ARG  12  -0.353  -7.329   3.844
   97   2HH1  ARG  12          2HH1      ARG  12  -0.131  -8.437   5.299
   98   1HH2  ARG  12          1HH2      ARG  12  -3.435  -8.208   5.991
   99   2HH2  ARG  12          2HH2      ARG  12  -1.794  -8.928   6.458
  100    H    HIS  13           H        HIS  13  -2.351  -4.163   2.194
  101    HA   HIS  13           HA       HIS  13  -4.276  -2.435   3.091
  102   1HB   HIS  13          1HB       HIS  13  -1.392  -1.478   3.335
  103   2HB   HIS  13          2HB       HIS  13  -2.597  -1.332   4.581
  104    HD2  HIS  13           HD2      HIS  13   0.484  -2.539   4.934
  105    HE1  HIS  13           HE1      HIS  13  -1.598  -5.913   6.222
  106    HE2  HIS  13           HE2      HIS  13   0.756  -4.827   6.235
  107    H    LEU  14           H        LEU  14  -3.286  -2.165   0.591
  108    HA   LEU  14           HA       LEU  14  -4.758   0.103   0.304
  109   1HB   LEU  14          1HB       LEU  14  -3.450   0.139  -1.645
  110   2HB   LEU  14          2HB       LEU  14  -3.864  -1.522  -1.880
  111    HG   LEU  14           HG       LEU  14  -6.233  -0.793  -2.103
  112   1HD1  LEU  14          1HD1      LEU  14  -4.712   1.639  -3.141
  113   2HD1  LEU  14          2HD1      LEU  14  -6.461   1.309  -3.469
  114   3HD1  LEU  14          3HD1      LEU  14  -5.914   1.571  -1.801
  115   1HD2  LEU  14          1HD2      LEU  14  -4.170  -0.627  -4.323
  116   2HD2  LEU  14          2HD2      LEU  14  -5.213  -2.038  -3.889
  117   3HD2  LEU  14          3HD2      LEU  14  -5.968  -0.627  -4.594
  118    HA   PRO  15           HA       PRO  15  -8.683  -1.859   0.561
  119   1HB   PRO  15          1HB       PRO  15  -7.287  -4.509   1.370
  120   2HB   PRO  15          2HB       PRO  15  -9.083  -4.350   1.172
  121   1HG   PRO  15          1HG       PRO  15  -7.856  -5.264  -1.090
  122   2HG   PRO  15          2HG       PRO  15  -8.752  -3.731  -1.308
  123   1HD   PRO  15          1HD       PRO  15  -5.791  -4.152  -0.720
  124   2HD   PRO  15          2HD       PRO  15  -6.545  -3.036  -1.970
  125    H    LEU  16           H        LEU  16  -6.256  -1.659   2.139
  126    HA   LEU  16           HA       LEU  16  -7.618  -1.285   4.577
  127   1HB   LEU  16          1HB       LEU  16  -4.902  -1.872   4.493
  128   2HB   LEU  16          2HB       LEU  16  -4.870  -0.130   4.649
  129    HG   LEU  16           HG       LEU  16  -6.640  -1.610   6.596
  130   1HD1  LEU  16          1HD2      LEU  16  -3.565  -1.621   6.809
  131   2HD1  LEU  16          2HD2      LEU  16  -4.656  -2.068   8.140
  132   3HD1  LEU  16          3HD2      LEU  16  -4.614  -3.045   6.649
  133   1HD2  LEU  16          1HD1      LEU  16  -5.647   0.096   8.234
  134   2HD2  LEU  16          2HD1      LEU  16  -4.618   0.736   6.942
  135   3HD2  LEU  16          3HD1      LEU  16  -6.384   0.896   6.823
  136    H    GLN  17           H        GLN  17  -8.848  -0.211   2.875
  137    HA   GLN  17           HA       GLN  17  -7.943   2.575   2.092
  138   1HB   GLN  17          1HB       GLN  17  -9.527   2.344   0.224
  139   2HB   GLN  17          2HB       GLN  17  -8.366   1.050   0.269
  140   1HG   GLN  17          1HG       GLN  17 -10.099  -0.436   0.025
  141   2HG   GLN  17          2HG       GLN  17 -10.595  -0.091   1.666
  142   1HE2  GLN  17          2HE2      GLN  17 -12.380  -0.900  -0.187
  143   2HE2  GLN  17          1HE2      GLN  17 -13.470   0.517  -0.649
  144    H    PHE  18           H        PHE  18  -8.388   3.322   4.099
  145    HA   PHE  18           HA       PHE  18 -10.494   5.428   4.057
  146   1HB   PHE  18          1HB       PHE  18  -7.689   4.846   5.174
  147   2HB   PHE  18          2HB       PHE  18  -7.939   6.523   4.795
  148    HD1  PHE  18           HD1      PHE  18  -8.714   3.829   7.105
  149    HD2  PHE  18           HD2      PHE  18  -9.172   7.997   6.168
  150    HE1  PHE  18           HE1      PHE  18  -8.735   4.310   9.414
  151    HE2  PHE  18           HE2      PHE  18  -9.206   8.537   8.474
  152    HZ   PHE  18           HZ       PHE  18  -9.033   6.706  10.241
  153    H    SER  19           H        SER  19  -7.692   4.590   2.393
  154    HA   SER  19           HA       SER  19  -7.627   6.745   0.226
  155   1HB   SER  19          1HB       SER  19  -5.349   5.160   0.186
  156   2HB   SER  19          2HB       SER  19  -5.646   6.874   0.435
  157    HG   SER  19           HG       SER  19  -5.855   5.035   2.582
  158    H    ARG  20           H        ARG  20  -8.416   6.281  -1.598
  159    HA   ARG  20           HA       ARG  20  -7.954   3.603  -2.880
  160   1HB   ARG  20          1HB       ARG  20 -10.296   5.273  -3.107
  161   2HB   ARG  20          2HB       ARG  20  -9.685   4.914  -4.707
  162   1HG   ARG  20          1HG       ARG  20 -10.593   2.804  -2.628
  163   2HG   ARG  20          2HG       ARG  20 -11.478   3.291  -4.071
  164   1HD   ARG  20          1HD       ARG  20  -9.474   2.441  -5.477
  165   2HD   ARG  20          2HD       ARG  20  -8.789   1.798  -3.991
  166   1HH1  ARG  20          1HH1      ARG  20  -8.976   0.742  -6.454
  167   2HH1  ARG  20          2HH1      ARG  20  -9.668  -0.803  -7.181
  168   1HH2  ARG  20          1HH2      ARG  20 -11.664  -1.180  -4.469
  169   2HH2  ARG  20          2HH2      ARG  20 -11.048  -1.902  -6.059
  170    H    THR  21           H        THR  21  -5.845   3.866  -3.166
  171    HA   THR  21           HA       THR  21  -3.934   4.997  -3.358
  172    HB   THR  21           HB       THR  21  -3.395   5.799  -5.375
  173    HG1  THR  21           HG1      THR  21  -4.589   7.003  -6.746
  174   1HG2  THR  21          1HG2      THR  21  -6.291   4.561  -6.005
  175   2HG2  THR  21          2HG2      THR  21  -4.900   4.485  -7.110
  176   3HG2  THR  21          3HG2      THR  21  -4.902   3.529  -5.603
  177    H    GLY  22           H        GLY  22  -5.565   6.141  -1.515
  178   1HA   GLY  22          1HA       GLY  22  -4.615   8.979  -1.205
  179   2HA   GLY  22          2HA       GLY  22  -5.696   8.115  -0.163
  180    HA   PRO  23           HA       PRO  23  -2.616   6.545  -1.745
  181   1HB   PRO  23          1HB       PRO  23   0.022   6.575  -1.623
  182   2HB   PRO  23          2HB       PRO  23  -0.827   8.073  -1.289
  183   1HG   PRO  23          1HG       PRO  23   0.307   6.002   0.750
  184   2HG   PRO  23          2HG       PRO  23   0.649   7.748   0.726
  185   1HD   PRO  23          1HD       PRO  23  -1.493   6.539   2.197
  186   2HD   PRO  23          2HD       PRO  23  -1.278   8.274   1.726
  187    H    LEU  24           H        LEU  24  -3.310   4.166  -1.952
  188    HA   LEU  24           HA       LEU  24  -1.052   2.421  -1.221
  189   1HB   LEU  24          1HB       LEU  24  -3.811   1.365  -0.647
  190   2HB   LEU  24          2HB       LEU  24  -2.454   0.819   0.066
  191    HG   LEU  24           HG       LEU  24  -3.394   3.733   0.606
  192   1HD1  LEU  24          1HD2      LEU  24  -4.783   3.049   2.508
  193   2HD1  LEU  24          2HD2      LEU  24  -5.340   2.106   1.113
  194   3HD1  LEU  24          3HD2      LEU  24  -4.364   1.386   2.365
  195   1HD2  LEU  24          1HD1      LEU  24  -1.917   1.711   2.446
  196   2HD2  LEU  24          2HD1      LEU  24  -1.153   3.095   1.595
  197   3HD2  LEU  24          3HD1      LEU  24  -2.324   3.382   2.894
  198    H    CYS  25           H        CYS  25  -0.987   0.008  -2.349
  199    HA   CYS  25           HA       CYS  25   0.447   2.169  -2.146
  200   1HB   CYS  25          2HB       CYS  25   0.082   0.640  -0.529
  201   2HB   CYS  25          1HB       CYS  25   1.395   0.055  -1.419
  202    HG   CYS  25           HG       CYS  25   3.249   1.247  -0.803
  203    HA   PRO  26           HA       PRO  26   2.794   2.645  -5.445
  204   1HB   PRO  26          1HB       PRO  26   1.165   2.556  -7.848
  205   2HB   PRO  26          2HB       PRO  26   2.600   1.555  -7.526
  206   1HG   PRO  26          1HG       PRO  26   0.015   0.493  -7.727
  207   2HG   PRO  26          2HG       PRO  26   1.357  -0.257  -6.804
  208   1HD   PRO  26          1HD       PRO  26  -0.769   1.667  -5.683
  209   2HD   PRO  26          2HD       PRO  26  -0.429  -0.024  -5.093
  210    H    ALA  27           H        ALA  27   0.006   3.300  -3.927
  211    HA   ALA  27           HA       ALA  27   0.251   6.240  -4.833
  212   1HB   ALA  27          1HB       ALA  27  -2.005   5.501  -4.216
  213   2HB   ALA  27          2HB       ALA  27  -1.423   4.787  -2.706
  214   3HB   ALA  27          3HB       ALA  27  -1.374   6.553  -2.922
  215    H    CYS  28           H        CYS  28   2.151   3.933  -3.478
  216    HA   CYS  28           HA       CYS  28   2.757   5.252  -0.965
  217   1HB   CYS  28          1HB       CYS  28   3.466   3.302  -0.314
  218   2HB   CYS  28          2HB       CYS  28   3.152   2.747  -1.911
  219    HG   CYS  28           HG       CYS  28   5.933   3.378  -0.318
  220    H    MET  29           H        MET  29   3.527   7.345  -0.961
  221    HA   MET  29           HA       MET  29   6.507   7.584  -1.473
  222   1HB   MET  29          1HB       MET  29   6.212   9.931  -1.131
  223   2HB   MET  29          2HB       MET  29   4.836   9.384  -2.077
  224   1HG   MET  29          1HG       MET  29   3.872   9.204   0.598
  225   2HG   MET  29          2HG       MET  29   4.922  10.615   0.656
  226   1HE   MET  29          1HE       MET  29   5.022  12.334  -1.379
  227   2HE   MET  29          2HE       MET  29   3.494  13.149  -1.837
  228   3HE   MET  29          3HE       MET  29   4.002  13.095  -0.123
  229    H    LYS  30           H        LYS  30   6.679   5.737   0.031
  230    HA   LYS  30           HA       LYS  30   6.374   6.311   2.903
  231   1HB   LYS  30          1HB       LYS  30   6.298   3.591   1.438
  232   2HB   LYS  30          2HB       LYS  30   6.024   3.829   3.147
  233   1HG   LYS  30          1HG       LYS  30   4.050   3.959   1.050
  234   2HG   LYS  30          2HG       LYS  30   3.836   4.002   2.786
  235   1HD   LYS  30          1HD       LYS  30   4.505   6.640   2.439
  236   2HD   LYS  30          2HD       LYS  30   4.084   6.325   0.791
  237   1HE   LYS  30          1HE       LYS  30   2.263   7.328   2.402
  238   2HE   LYS  30          2HE       LYS  30   1.706   6.082   1.326
  239   1HZ   LYS  30          1HZ       LYS  30   1.130   4.943   3.163
  240   2HZ   LYS  30          2HZ       LYS  30   1.657   6.133   4.111
  241    H    ALA  31           H        ALA  31   8.872   5.143   0.800
  242    HA   ALA  31           HA       ALA  31  10.987   5.451   2.686
  243   1HB   ALA  31          1HB       ALA  31  11.642   3.106   3.286
  244   2HB   ALA  31          2HB       ALA  31  10.019   3.457   3.894
  245   3HB   ALA  31          3HB       ALA  31  10.235   2.443   2.445
  Start of MODEL   12
    1   1H    ILE   1          1H        ILE   1   7.130   1.532   6.170
    2   2H    ILE   1          2H        ILE   1   7.092   3.161   6.260
    3    HA   ILE   1           HA       ILE   1   7.924   3.407   4.045
    4    HB   ILE   1           HB       ILE   1   9.608   1.659   5.395
    5   1HG1  ILE   1          1HG1      ILE   1  10.285   4.284   6.376
    6   2HG1  ILE   1          2HG1      ILE   1   8.582   3.986   6.666
    7   1HG2  ILE   1          1HG2      ILE   1  11.528   3.221   4.618
    8   2HG2  ILE   1          2HG2      ILE   1  10.663   2.461   3.280
    9   3HG2  ILE   1          3HG2      ILE   1  10.296   4.143   3.719
   10   1HD1  ILE   1          1HD1      ILE   1   9.910   3.071   8.568
   11   2HD1  ILE   1          2HD1      ILE   1   9.046   1.762   7.717
   12   3HD1  ILE   1          3HD1      ILE   1  10.792   1.978   7.454
   13    H    CYS   2           H        CYS   2   8.732   2.545   2.134
   14    HA   CYS   2           HA       CYS   2   7.604  -0.112   1.365
   15   1HB   CYS   2          2HB       CYS   2   7.892   2.466  -0.156
   16   2HB   CYS   2          1HB       CYS   2   7.157   1.019  -0.822
   17    HG   CYS   2           HG       CYS   2   5.636   3.185   0.307
   18    H    GLU   3           H        GLU   3   8.193  -1.527  -0.037
   19    HA   GLU   3           HA       GLU   3  10.130  -1.289  -2.008
   20   1HB   GLU   3          1HB       GLU   3  12.037  -2.865  -0.979
   21   2HB   GLU   3          2HB       GLU   3  12.038  -1.139  -0.642
   22   1HG   GLU   3          2HG       GLU   3  10.874  -1.711   1.634
   23   2HG   GLU   3          1HG       GLU   3  11.038  -3.416   1.224
   24    HE2  GLU   3           HE2      GLU   3  14.270  -3.652   2.111
   25    H    GLU   4           H        GLU   4   8.150  -2.222  -2.648
   26    HA   GLU   4           HA       GLU   4   6.515  -3.938  -2.775
   27   1HB   GLU   4          1HB       GLU   4   7.717  -5.889  -4.360
   28   2HB   GLU   4          2HB       GLU   4   6.985  -4.415  -4.951
   29   1HG   GLU   4          1HG       GLU   4   9.994  -4.509  -4.206
   30   2HG   GLU   4          2HG       GLU   4   9.440  -5.053  -5.787
   31    HE2  GLU   4           HE2      GLU   4  10.463  -1.584  -5.890
   32    HA   PRO   5           HA       PRO   5   5.040  -7.459  -1.225
   33   1HB   PRO   5          1HB       PRO   5   7.853  -8.719  -0.709
   34   2HB   PRO   5          2HB       PRO   5   6.275  -9.528  -0.725
   35   1HG   PRO   5          1HG       PRO   5   7.878  -9.230  -3.015
   36   2HG   PRO   5          2HG       PRO   5   6.131  -9.544  -3.083
   37   1HD   PRO   5          1HD       PRO   5   7.523  -7.199  -3.986
   38   2HD   PRO   5          2HD       PRO   5   5.728  -7.298  -3.803
   39    H    THR   6           H        THR   6   5.619  -5.089  -0.458
   40    HA   THR   6           HA       THR   6   4.701  -5.389   2.383
   41    HB   THR   6           HB       THR   6   5.879  -2.713   2.166
   42    HG1  THR   6           HG1      THR   6   7.884  -4.091   2.993
   43   1HG2  THR   6          1HG2      THR   6   6.349  -3.050   4.501
   44   2HG2  THR   6          2HG2      THR   6   4.876  -4.026   4.279
   45   3HG2  THR   6          3HG2      THR   6   6.464  -4.815   4.340
   46    H    CYS   7           H        CYS   7   4.734  -2.566   0.119
   47    HA   CYS   7           HA       CYS   7   2.490  -2.081  -0.534
   48   1HB   CYS   7          2HB       CYS   7   4.128  -2.361  -2.955
   49   2HB   CYS   7          1HB       CYS   7   3.373  -0.875  -2.424
   50    HG   CYS   7           HG       CYS   7   5.761  -0.309  -2.665
   51    H    ARG   8           H        ARG   8   3.319  -4.527  -1.791
   52    HA   ARG   8           HA       ARG   8   0.776  -5.084  -3.403
   53   1HB   ARG   8          1HB       ARG   8   1.702  -6.567  -4.635
   54   2HB   ARG   8          2HB       ARG   8   3.292  -6.184  -4.027
   55   1HG   ARG   8          1HG       ARG   8   3.255  -8.077  -2.440
   56   2HG   ARG   8          2HG       ARG   8   1.539  -8.332  -2.692
   57   1HD   ARG   8          1HD       ARG   8   2.060  -8.943  -5.151
   58   2HD   ARG   8          2HD       ARG   8   3.789  -8.890  -4.707
   59   1HH1  ARG   8          1HH1      ARG   8   0.474  -9.961  -4.778
   60   2HH1  ARG   8          2HH1      ARG   8  -0.361 -11.469  -4.125
   61   1HH2  ARG   8          1HH2      ARG   8   2.510 -12.442  -2.626
   62   2HH2  ARG   8          2HH2      ARG   8   0.758 -12.861  -3.057
   63    H    ASN   9           H        ASN   9   2.409  -6.201  -0.759
   64    HA   ASN   9           HA       ASN   9   0.234  -7.112   1.040
   65   1HB   ASN   9          2HB       ASN   9   3.104  -6.237   1.438
   66   2HB   ASN   9          1HB       ASN   9   1.973  -6.448   2.783
   67   1HD2  ASN   9          2HD2      ASN   9   2.888  -8.243   3.661
   68   2HD2  ASN   9          1HD2      ASN   9   3.033  -9.818   2.723
   69    H    ARG  10           H        ARG  10   1.275  -3.826   0.201
   70    HA   ARG  10           HA       ARG  10  -0.949  -2.519   1.619
   71   1HB   ARG  10          2HB       ARG  10   1.419  -0.899   0.637
   72   2HB   ARG  10          1HB       ARG  10   0.127  -0.559   1.784
   73   1HG   ARG  10          1HG       ARG  10   1.517  -1.007   3.534
   74   2HG   ARG  10          2HG       ARG  10   1.645  -2.673   3.009
   75   1HD   ARG  10          1HD       ARG  10   3.592  -2.136   1.607
   76   2HD   ARG  10          2HD       ARG  10   3.441  -0.417   2.008
   77   1HH1  ARG  10          1HH1      ARG  10   2.929   0.508   3.933
   78   2HH1  ARG  10          2HH1      ARG  10   3.539   0.775   5.651
   79   1HH2  ARG  10          1HH2      ARG  10   4.984  -2.282   5.634
   80   2HH2  ARG  10          2HH2      ARG  10   4.659  -0.718   6.571
   81    H    THR  11           H        THR  11  -0.773  -3.221  -0.903
   82    HA   THR  11           HA       THR  11  -2.387  -1.665  -2.385
   83    HB   THR  11           HB       THR  11  -0.736  -3.903  -2.737
   84    HG1  THR  11           HG1      THR  11  -0.568  -2.837  -5.077
   85   1HG2  THR  11          1HG2      THR  11  -2.175  -4.396  -5.251
   86   2HG2  THR  11          2HG2      THR  11  -3.154  -4.619  -3.769
   87   3HG2  THR  11          3HG2      THR  11  -3.165  -3.131  -4.652
   88    H    ARG  12           H        ARG  12  -1.926  -4.534  -1.055
   89    HA   ARG  12           HA       ARG  12  -4.373  -5.716  -0.309
   90   1HB   ARG  12          2HB       ARG  12  -2.592  -7.079  -0.545
   91   2HB   ARG  12          1HB       ARG  12  -1.802  -5.695   0.106
   92   1HG   ARG  12          2HG       ARG  12  -3.110  -8.136   1.561
   93   2HG   ARG  12          1HG       ARG  12  -1.438  -7.661   1.801
   94   1HD   ARG  12          1HD       ARG  12  -2.127  -5.729   3.130
   95   2HD   ARG  12          2HD       ARG  12  -3.820  -5.956   2.762
   96   1HH1  ARG  12          1HH1      ARG  12  -5.005  -6.019   4.157
   97   2HH1  ARG  12          2HH1      ARG  12  -5.727  -6.868   5.624
   98   1HH2  ARG  12          1HH2      ARG  12  -2.913  -8.721   5.957
   99   2HH2  ARG  12          2HH2      ARG  12  -4.472  -8.117   6.752
  100    H    HIS  13           H        HIS  13  -2.498  -4.327   2.106
  101    HA   HIS  13           HA       HIS  13  -4.573  -2.580   3.098
  102   1HB   HIS  13          1HB       HIS  13  -2.101  -3.185   4.372
  103   2HB   HIS  13          2HB       HIS  13  -1.548  -1.901   3.336
  104    HD2  HIS  13           HD2      HIS  13  -1.582  -1.928   6.656
  105    HE1  HIS  13           HE1      HIS  13  -3.739   1.580   6.038
  106    HE2  HIS  13           HE2      HIS  13  -2.278   0.352   7.782
  107    H    LEU  14           H        LEU  14  -3.528  -2.272   0.616
  108    HA   LEU  14           HA       LEU  14  -5.008  -0.067   0.299
  109   1HB   LEU  14          1HB       LEU  14  -3.589   0.046  -1.617
  110   2HB   LEU  14          2HB       LEU  14  -3.993  -1.604  -1.932
  111    HG   LEU  14           HG       LEU  14  -6.362  -0.844  -2.205
  112   1HD1  LEU  14          1HD1      LEU  14  -4.763   1.588  -3.127
  113   2HD1  LEU  14          2HD1      LEU  14  -6.503   1.296  -3.529
  114   3HD1  LEU  14          3HD1      LEU  14  -6.016   1.508  -1.835
  115   1HD2  LEU  14          1HD2      LEU  14  -4.214  -0.660  -4.346
  116   2HD2  LEU  14          2HD2      LEU  14  -5.296  -2.063  -3.983
  117   3HD2  LEU  14          3HD2      LEU  14  -6.002  -0.624  -4.682
  118    HA   PRO  15           HA       PRO  15  -8.869  -2.117   0.292
  119   1HB   PRO  15          1HB       PRO  15  -7.432  -4.792   0.996
  120   2HB   PRO  15          2HB       PRO  15  -9.225  -4.660   0.751
  121   1HG   PRO  15          1HG       PRO  15  -7.919  -5.392  -1.529
  122   2HG   PRO  15          2HG       PRO  15  -8.824  -3.855  -1.669
  123   1HD   PRO  15          1HD       PRO  15  -5.883  -4.289  -0.993
  124   2HD   PRO  15          2HD       PRO  15  -6.597  -3.104  -2.204
  125    H    LEU  16           H        LEU  16  -6.516  -1.961   1.976
  126    HA   LEU  16           HA       LEU  16  -7.959  -1.761   4.357
  127   1HB   LEU  16          1HB       LEU  16  -5.187  -2.223   4.277
  128   2HB   LEU  16          2HB       LEU  16  -5.300  -0.535   4.718
  129    HG   LEU  16           HG       LEU  16  -7.185  -1.944   6.390
  130   1HD1  LEU  16          1HD1      LEU  16  -5.628  -3.513   7.641
  131   2HD1  LEU  16          2HD1      LEU  16  -5.844  -4.058   5.970
  132   3HD1  LEU  16          3HD1      LEU  16  -4.347  -3.221   6.437
  133   1HD2  LEU  16          1HD2      LEU  16  -5.940   0.128   7.057
  134   2HD2  LEU  16          2HD2      LEU  16  -5.698  -1.147   8.272
  135   3HD2  LEU  16          3HD2      LEU  16  -4.413  -0.777   7.093
  136    H    GLN  17           H        GLN  17  -9.162  -0.605   2.690
  137    HA   GLN  17           HA       GLN  17  -8.178   2.175   1.979
  138   1HB   GLN  17          1HB       GLN  17  -9.654   2.030   0.059
  139   2HB   GLN  17          2HB       GLN  17  -8.637   0.622   0.149
  140   1HG   GLN  17          1HG       GLN  17 -10.796  -0.528   1.334
  141   2HG   GLN  17          2HG       GLN  17 -11.685   0.771   0.573
  142   1HE2  GLN  17          2HE2      GLN  17 -10.441   0.991  -1.870
  143   2HE2  GLN  17          1HE2      GLN  17 -10.681  -0.610  -2.757
  144    H    PHE  18           H        PHE  18  -8.602   3.040   3.886
  145    HA   PHE  18           HA       PHE  18 -10.721   5.133   3.780
  146   1HB   PHE  18          1HB       PHE  18  -8.054   4.514   5.056
  147   2HB   PHE  18          2HB       PHE  18  -7.988   6.104   4.357
  148    HD1  PHE  18           HD1      PHE  18  -7.425   7.227   6.169
  149    HD2  PHE  18           HD2      PHE  18 -11.098   4.999   6.099
  150    HE1  PHE  18           HE1      PHE  18  -8.263   8.633   7.872
  151    HE2  PHE  18           HE2      PHE  18 -11.978   6.359   7.829
  152    HZ   PHE  18           HZ       PHE  18 -10.553   8.187   8.906
  153    H    SER  19           H        SER  19  -7.958   4.200   2.142
  154    HA   SER  19           HA       SER  19  -7.664   6.393   0.040
  155   1HB   SER  19          1HB       SER  19  -5.431   4.767   0.129
  156   2HB   SER  19          2HB       SER  19  -5.714   6.472   0.446
  157    HG   SER  19           HG       SER  19  -6.110   4.511   2.459
  158    H    ARG  20           H        ARG  20  -8.336   6.007  -1.834
  159    HA   ARG  20           HA       ARG  20  -7.813   3.378  -3.190
  160   1HB   ARG  20          1HB       ARG  20 -10.208   4.805  -3.365
  161   2HB   ARG  20          2HB       ARG  20  -9.465   5.081  -4.929
  162   1HG   ARG  20          2HG       ARG  20 -10.299   2.350  -3.761
  163   2HG   ARG  20          1HG       ARG  20 -10.938   3.148  -5.202
  164   1HD   ARG  20          1HD       ARG  20  -8.649   2.922  -6.309
  165   2HD   ARG  20          2HD       ARG  20  -8.093   2.017  -4.908
  166   1HH1  ARG  20          1HH1      ARG  20  -8.484   0.299  -3.984
  167   2HH1  ARG  20          2HH1      ARG  20  -9.101  -1.436  -4.078
  168   1HH2  ARG  20          1HH2      ARG  20 -10.261  -0.849  -7.208
  169   2HH2  ARG  20          2HH2      ARG  20  -9.953  -2.094  -5.872
  170    H    THR  21           H        THR  21  -5.685   3.615  -3.334
  171    HA   THR  21           HA       THR  21  -3.750   4.731  -3.345
  172    HB   THR  21           HB       THR  21  -3.079   5.633  -5.274
  173    HG1  THR  21           HG1      THR  21  -5.102   6.538  -6.680
  174   1HG2  THR  21          1HG2      THR  21  -5.949   4.492  -6.155
  175   2HG2  THR  21          2HG2      THR  21  -4.492   4.454  -7.174
  176   3HG2  THR  21          3HG2      THR  21  -4.604   3.412  -5.730
  177    H    GLY  22           H        GLY  22  -5.457   5.787  -1.522
  178   1HA   GLY  22          1HA       GLY  22  -4.536   8.596  -1.008
  179   2HA   GLY  22          2HA       GLY  22  -5.627   7.656  -0.047
  180    HA   PRO  23           HA       PRO  23  -2.462   6.287  -1.659
  181   1HB   PRO  23          1HB       PRO  23   0.176   6.465  -1.478
  182   2HB   PRO  23          2HB       PRO  23  -0.782   7.883  -1.096
  183   1HG   PRO  23          1HG       PRO  23   0.524   5.836   0.853
  184   2HG   PRO  23          2HG       PRO  23   0.631   7.610   0.948
  185   1HD   PRO  23          2HD       PRO  23  -1.257   5.885   2.138
  186   2HD   PRO  23          1HD       PRO  23  -1.425   7.689   2.141
  187    H    LEU  24           H        LEU  24  -3.190   3.923  -1.805
  188    HA   LEU  24           HA       LEU  24  -0.921   2.108  -1.280
  189   1HB   LEU  24          1HB       LEU  24  -3.798   1.519  -0.453
  190   2HB   LEU  24          2HB       LEU  24  -2.604   0.465  -0.120
  191    HG   LEU  24           HG       LEU  24  -1.487   2.596   1.234
  192   1HD1  LEU  24          1HD2      LEU  24  -3.136   4.100   2.282
  193   2HD1  LEU  24          2HD2      LEU  24  -3.399   4.212   0.531
  194   3HD1  LEU  24          3HD2      LEU  24  -4.483   3.312   1.557
  195   1HD2  LEU  24          1HD1      LEU  24  -3.931   1.043   2.351
  196   2HD2  LEU  24          2HD1      LEU  24  -2.229   0.474   2.371
  197   3HD2  LEU  24          3HD1      LEU  24  -2.715   1.871   3.348
  198    H    CYS  25           H        CYS  25  -1.106  -0.259  -2.312
  199    HA   CYS  25           HA       CYS  25   0.571   1.516  -2.172
  200   1HB   CYS  25          1HB       CYS  25   0.476  -0.365  -0.931
  201   2HB   CYS  25          2HB       CYS  25   1.625  -0.667  -2.184
  202    HG   CYS  25           HG       CYS  25   3.191  -0.027  -0.367
  203    HA   PRO  26           HA       PRO  26   2.371   2.300  -5.781
  204   1HB   PRO  26          1HB       PRO  26   1.212   2.111  -8.208
  205   2HB   PRO  26          2HB       PRO  26   1.776   0.579  -7.502
  206   1HG   PRO  26          1HG       PRO  26  -1.043   1.770  -7.461
  207   2HG   PRO  26          2HG       PRO  26  -0.516   0.091  -7.804
  208   1HD   PRO  26          1HD       PRO  26  -1.314   1.157  -5.233
  209   2HD   PRO  26          2HD       PRO  26  -0.685  -0.503  -5.557
  210    H    ALA  27           H        ALA  27  -0.136   2.914  -4.051
  211    HA   ALA  27           HA       ALA  27   0.061   5.860  -4.962
  212   1HB   ALA  27          1HB       ALA  27  -2.211   5.218  -4.309
  213   2HB   ALA  27          2HB       ALA  27  -1.634   4.468  -2.814
  214   3HB   ALA  27          3HB       ALA  27  -1.514   6.232  -3.018
  215    H    CYS  28           H        CYS  28   1.904   3.474  -3.689
  216    HA   CYS  28           HA       CYS  28   2.684   4.635  -1.176
  217   1HB   CYS  28          1HB       CYS  28   4.099   2.905  -0.761
  218   2HB   CYS  28          2HB       CYS  28   2.960   2.282  -1.889
  219    HG   CYS  28           HG       CYS  28   6.157   2.607  -2.020
  220    H    MET  29           H        MET  29   3.044   6.634  -1.093
  221    HA   MET  29           HA       MET  29   5.872   7.603  -1.704
  222   1HB   MET  29          1HB       MET  29   3.600   9.049  -2.249
  223   2HB   MET  29          2HB       MET  29   3.868   9.562  -0.590
  224   1HG   MET  29          1HG       MET  29   6.380   9.634  -2.242
  225   2HG   MET  29          2HG       MET  29   5.095  10.632  -2.912
  226   1HE   MET  29          1HE       MET  29   4.190  13.172  -0.140
  227   2HE   MET  29          2HE       MET  29   3.641  12.255  -1.578
  228   3HE   MET  29          3HE       MET  29   3.489  11.538   0.054
  229    H    LYS  30           H        LYS  30   6.425   5.941  -0.064
  230    HA   LYS  30           HA       LYS  30   6.454   7.072   2.649
  231   1HB   LYS  30          1HB       LYS  30   7.178   4.292   1.563
  232   2HB   LYS  30          2HB       LYS  30   7.576   4.775   3.193
  233   1HG   LYS  30          1HG       LYS  30   5.456   3.439   3.106
  234   2HG   LYS  30          2HG       LYS  30   5.310   4.984   3.913
  235   1HD   LYS  30          1HD       LYS  30   4.465   5.776   1.414
  236   2HD   LYS  30          2HD       LYS  30   4.198   4.081   1.199
  237   1HE   LYS  30          1HE       LYS  30   2.477   6.029   2.461
  238   2HE   LYS  30          2HE       LYS  30   2.101   4.348   2.234
  239   1HZ   LYS  30          1HZ       LYS  30   2.486   3.998   4.425
  240   2HZ   LYS  30          2HZ       LYS  30   2.429   5.598   4.603
  241    H    ALA  31           H        ALA  31  10.384   6.902   1.505
  242    HA   ALA  31           HA       ALA  31   9.128   4.382   1.938
  243   1HB   ALA  31          1HB       ALA  31   8.407   3.658  -0.360
  244   2HB   ALA  31          2HB       ALA  31   7.463   5.063   0.155
  245   3HB   ALA  31          3HB       ALA  31   8.779   5.251  -1.032
  Start of MODEL   13
    1   1H    ILE   1          1H        ILE   1  10.701   3.198   4.123
    2   2H    ILE   1          2H        ILE   1  11.066   2.770   5.655
    3    HA   ILE   1           HA       ILE   1   9.998   0.708   5.486
    4    HB   ILE   1           HB       ILE   1   8.735   3.100   5.213
    5   1HG1  ILE   1          1HG1      ILE   1   7.975   1.132   7.349
    6   2HG1  ILE   1          2HG1      ILE   1   9.559   1.885   7.358
    7   1HG2  ILE   1          1HG2      ILE   1   6.306   2.214   5.358
    8   2HG2  ILE   1          2HG2      ILE   1   7.035   1.913   3.778
    9   3HG2  ILE   1          3HG2      ILE   1   6.943   0.596   4.968
   10   1HD1  ILE   1          1HD1      ILE   1   7.969   3.305   8.651
   11   2HD1  ILE   1          2HD1      ILE   1   8.579   4.184   7.223
   12   3HD1  ILE   1          3HD1      ILE   1   6.935   3.506   7.201
   13    H    CYS   2           H        CYS   2   8.601   2.221   2.676
   14    HA   CYS   2           HA       CYS   2   7.740  -0.228   1.698
   15   1HB   CYS   2          2HB       CYS   2   7.415   2.542   1.058
   16   2HB   CYS   2          1HB       CYS   2   7.335   1.590  -0.415
   17    HG   CYS   2           HG       CYS   2   5.708  -0.271   0.697
   18    H    GLU   3           H        GLU   3   9.162  -1.735   1.251
   19    HA   GLU   3           HA       GLU   3   9.872  -1.804  -1.709
   20   1HB   GLU   3          1HB       GLU   3  10.951  -3.580   0.590
   21   2HB   GLU   3          2HB       GLU   3  11.191  -3.969  -1.108
   22   1HG   GLU   3          2HG       GLU   3  12.090  -1.197  -0.112
   23   2HG   GLU   3          1HG       GLU   3  13.014  -2.599   0.416
   24    HE2  GLU   3           HE2      GLU   3  14.150  -1.104  -2.778
   25    H    GLU   4           H        GLU   4   9.393  -3.588  -2.946
   26    HA   GLU   4           HA       GLU   4   6.529  -3.592  -2.809
   27   1HB   GLU   4          1HB       GLU   4   6.810  -4.763  -5.156
   28   2HB   GLU   4          2HB       GLU   4   7.437  -3.149  -4.918
   29   1HG   GLU   4          1HG       GLU   4   9.698  -3.848  -5.166
   30   2HG   GLU   4          2HG       GLU   4   9.428  -5.407  -4.392
   31    HE2  GLU   4           HE2      GLU   4   9.633  -5.131  -8.234
   32    HA   PRO   5           HA       PRO   5   5.243  -7.554  -1.553
   33   1HB   PRO   5          1HB       PRO   5   6.718  -9.206   0.096
   34   2HB   PRO   5          2HB       PRO   5   6.943  -9.281  -1.661
   35   1HG   PRO   5          1HG       PRO   5   8.635  -7.721   0.371
   36   2HG   PRO   5          2HG       PRO   5   9.219  -8.837  -0.881
   37   1HD   PRO   5          2HD       PRO   5   9.097  -6.027  -1.206
   38   2HD   PRO   5          1HD       PRO   5   9.011  -7.199  -2.567
   39    H    THR   6           H        THR   6   5.878  -4.968  -0.593
   40    HA   THR   6           HA       THR   6   4.884  -5.032   2.277
   41    HB   THR   6           HB       THR   6   6.545  -2.652   1.420
   42    HG1  THR   6           HG1      THR   6   7.409  -4.800   3.047
   43   1HG2  THR   6          1HG2      THR   6   5.175  -3.623   3.954
   44   2HG2  THR   6          2HG2      THR   6   6.795  -2.914   4.164
   45   3HG2  THR   6          3HG2      THR   6   5.498  -1.962   3.419
   46    H    CYS   7           H        CYS   7   4.867  -2.394  -0.273
   47    HA   CYS   7           HA       CYS   7   2.583  -2.059  -0.865
   48   1HB   CYS   7          1HB       CYS   7   4.115  -2.554  -3.321
   49   2HB   CYS   7          2HB       CYS   7   3.254  -1.087  -2.916
   50    HG   CYS   7           HG       CYS   7   6.217  -1.747  -3.152
   51    H    ARG   8           H        ARG   8   3.430  -4.618  -1.844
   52    HA   ARG   8           HA       ARG   8   0.827  -5.408  -3.258
   53   1HB   ARG   8          1HB       ARG   8   1.867  -6.861  -4.429
   54   2HB   ARG   8          2HB       ARG   8   3.411  -6.653  -3.643
   55   1HG   ARG   8          1HG       ARG   8   2.903  -8.470  -2.001
   56   2HG   ARG   8          2HG       ARG   8   1.249  -8.575  -2.576
   57   1HD   ARG   8          1HD       ARG   8   2.226  -9.242  -4.908
   58   2HD   ARG   8          2HD       ARG   8   3.792  -9.419  -4.068
   59   1HH1  ARG   8          1HH1      ARG   8   2.252 -10.908  -5.900
   60   2HH1  ARG   8          2HH1      ARG   8   1.462 -12.571  -5.988
   61   1HH2  ARG   8          1HH2      ARG   8   1.446 -12.774  -2.613
   62   2HH2  ARG   8          2HH2      ARG   8   1.109 -13.617  -4.227
   63    H    ASN   9           H        ASN   9   2.551  -6.119  -0.550
   64    HA   ASN   9           HA       ASN   9   0.474  -6.839   1.433
   65   1HB   ASN   9          2HB       ASN   9   3.328  -5.852   1.579
   66   2HB   ASN   9          1HB       ASN   9   2.265  -5.899   2.995
   67   1HD2  ASN   9          2HD2      ASN   9   3.467  -7.502   3.994
   68   2HD2  ASN   9          1HD2      ASN   9   3.512  -9.206   3.304
   69    H    ARG  10           H        ARG  10   1.367  -3.611   0.168
   70    HA   ARG  10           HA       ARG  10  -0.863  -2.360   1.585
   71   1HB   ARG  10          1HB       ARG  10   0.987  -1.289   2.336
   72   2HB   ARG  10          2HB       ARG  10   1.809  -1.060   0.817
   73   1HG   ARG  10          2HG       ARG  10   1.023   1.139   1.213
   74   2HG   ARG  10          1HG       ARG  10  -0.401   0.569   0.335
   75   1HD   ARG  10          1HD       ARG  10  -1.693   0.643   2.207
   76   2HD   ARG  10          2HD       ARG  10  -0.438  -0.058   3.243
   77   1HH1  ARG  10          1HH1      ARG  10   1.396   0.517   3.915
   78   2HH1  ARG  10          2HH1      ARG  10   2.237   1.791   4.947
   79   1HH2  ARG  10          1HH2      ARG  10   0.343   4.199   3.510
   80   2HH2  ARG  10          2HH2      ARG  10   1.710   3.792   4.691
   81    H    THR  11           H        THR  11  -0.704  -3.286  -0.901
   82    HA   THR  11           HA       THR  11  -2.439  -1.857  -2.452
   83    HB   THR  11           HB       THR  11  -0.740  -4.091  -2.692
   84    HG1  THR  11           HG1      THR  11   0.069  -3.184  -4.520
   85   1HG2  THR  11          1HG2      THR  11  -2.188  -4.768  -5.150
   86   2HG2  THR  11          2HG2      THR  11  -3.150  -4.932  -3.649
   87   3HG2  THR  11          3HG2      THR  11  -3.212  -3.500  -4.617
   88    H    ARG  12           H        ARG  12  -1.870  -4.631  -0.956
   89    HA   ARG  12           HA       ARG  12  -4.215  -5.876  -0.130
   90   1HB   ARG  12          2HB       ARG  12  -2.360  -7.156  -0.296
   91   2HB   ARG  12          1HB       ARG  12  -1.631  -5.690   0.282
   92   1HG   ARG  12          1HG       ARG  12  -2.835  -8.120   1.909
   93   2HG   ARG  12          2HG       ARG  12  -1.164  -7.600   1.994
   94   1HD   ARG  12          1HD       ARG  12  -1.718  -5.665   3.309
   95   2HD   ARG  12          2HD       ARG  12  -3.437  -5.816   3.034
   96   1HH1  ARG  12          1HH1      ARG  12  -4.745  -6.061   4.253
   97   2HH1  ARG  12          2HH1      ARG  12  -5.355  -6.660   5.885
   98   1HH2  ARG  12          1HH2      ARG  12  -2.511  -8.434   6.328
   99   2HH2  ARG  12          2HH2      ARG  12  -4.177  -7.969   6.990
  100    H    HIS  13           H        HIS  13  -2.379  -4.352   2.159
  101    HA   HIS  13           HA       HIS  13  -4.431  -2.588   3.180
  102   1HB   HIS  13          1HB       HIS  13  -1.320  -2.240   3.341
  103   2HB   HIS  13          2HB       HIS  13  -2.409  -1.165   4.168
  104    HD2  HIS  13           HD2      HIS  13  -1.736  -1.480   6.648
  105    HE1  HIS  13           HE1      HIS  13  -1.953  -5.631   6.913
  106    HE2  HIS  13           HE2      HIS  13  -1.493  -3.509   8.318
  107    H    LEU  14           H        LEU  14  -3.465  -2.398   0.652
  108    HA   LEU  14           HA       LEU  14  -4.943  -0.191   0.291
  109   1HB   LEU  14          1HB       LEU  14  -3.621  -0.214  -1.702
  110   2HB   LEU  14          2HB       LEU  14  -4.070  -1.871  -1.903
  111    HG   LEU  14           HG       LEU  14  -6.436  -1.075  -2.102
  112   1HD1  LEU  14          1HD1      LEU  14  -4.837   1.263  -3.240
  113   2HD1  LEU  14          2HD1      LEU  14  -6.600   0.989  -3.537
  114   3HD1  LEU  14          3HD1      LEU  14  -6.024   1.285  -1.885
  115   1HD2  LEU  14          1HD2      LEU  14  -4.395  -1.054  -4.353
  116   2HD2  LEU  14          2HD2      LEU  14  -5.480  -2.414  -3.860
  117   3HD2  LEU  14          3HD2      LEU  14  -6.196  -1.001  -4.602
  118    HA   PRO  15           HA       PRO  15  -8.837  -2.166   0.576
  119   1HB   PRO  15          1HB       PRO  15  -7.413  -4.833   1.340
  120   2HB   PRO  15          2HB       PRO  15  -9.214  -4.675   1.182
  121   1HG   PRO  15          1HG       PRO  15  -8.045  -5.545  -1.125
  122   2HG   PRO  15          2HG       PRO  15  -8.923  -3.994  -1.293
  123   1HD   PRO  15          1HD       PRO  15  -5.964  -4.467  -0.735
  124   2HD   PRO  15          2HD       PRO  15  -6.709  -3.329  -1.975
  125    H    LEU  16           H        LEU  16  -6.410  -1.967   2.133
  126    HA   LEU  16           HA       LEU  16  -7.715  -1.654   4.578
  127   1HB   LEU  16          1HB       LEU  16  -5.025  -2.192   4.495
  128   2HB   LEU  16          2HB       LEU  16  -4.988  -0.446   4.580
  129    HG   LEU  16           HG       LEU  16  -6.770  -1.777   6.596
  130   1HD1  LEU  16          1HD2      LEU  16  -3.702  -1.999   6.786
  131   2HD1  LEU  16          2HD2      LEU  16  -4.807  -2.319   8.141
  132   3HD1  LEU  16          3HD2      LEU  16  -4.853  -3.348   6.686
  133   1HD2  LEU  16          1HD1      LEU  16  -5.646  -0.088   8.166
  134   2HD2  LEU  16          2HD1      LEU  16  -4.594   0.440   6.843
  135   3HD2  LEU  16          3HD1      LEU  16  -6.347   0.709   6.736
  136    H    GLN  17           H        GLN  17  -9.039  -0.590   2.942
  137    HA   GLN  17           HA       GLN  17  -8.174   2.194   2.114
  138   1HB   GLN  17          1HB       GLN  17  -9.658   1.936   0.236
  139   2HB   GLN  17          2HB       GLN  17  -8.656   0.521   0.369
  140   1HG   GLN  17          1HG       GLN  17 -10.502  -0.908   1.070
  141   2HG   GLN  17          2HG       GLN  17 -11.526   0.439   1.513
  142   1HE2  GLN  17          2HE2      GLN  17 -10.183  -1.414  -1.127
  143   2HE2  GLN  17          1HE2      GLN  17 -11.410  -0.815  -2.370
  144    H    PHE  18           H        PHE  18  -8.586   2.977   4.107
  145    HA   PHE  18           HA       PHE  18 -10.719   5.055   4.095
  146   1HB   PHE  18          1HB       PHE  18  -7.924   4.480   5.205
  147   2HB   PHE  18          2HB       PHE  18  -8.106   6.145   4.741
  148    HD1  PHE  18           HD1      PHE  18  -7.695   7.213   6.569
  149    HD2  PHE  18           HD2      PHE  18 -10.812   4.255   6.552
  150    HE1  PHE  18           HE1      PHE  18  -8.571   8.183   8.539
  151    HE2  PHE  18           HE2      PHE  18 -11.729   5.184   8.531
  152    HZ   PHE  18           HZ       PHE  18 -10.605   7.159   9.690
  153    H    SER  19           H        SER  19  -7.970   4.211   2.399
  154    HA   SER  19           HA       SER  19  -7.697   6.474   0.370
  155   1HB   SER  19          1HB       SER  19  -5.466   4.929   0.289
  156   2HB   SER  19          2HB       SER  19  -5.776   6.555   0.876
  157    HG   SER  19           HG       SER  19  -5.254   5.936   2.743
  158    H    ARG  20           H        ARG  20  -8.424   6.170  -1.490
  159    HA   ARG  20           HA       ARG  20  -7.988   3.597  -2.983
  160   1HB   ARG  20          2HB       ARG  20 -10.510   4.500  -3.037
  161   2HB   ARG  20          1HB       ARG  20  -9.767   5.703  -4.070
  162   1HG   ARG  20          1HG       ARG  20 -10.932   3.805  -5.350
  163   2HG   ARG  20          2HG       ARG  20  -9.240   4.007  -5.803
  164   1HD   ARG  20          1HD       ARG  20  -8.631   2.085  -4.232
  165   2HD   ARG  20          2HD       ARG  20 -10.336   1.883  -3.854
  166   1HH1  ARG  20          1HH1      ARG  20  -7.372   1.782  -5.647
  167   2HH1  ARG  20          2HH1      ARG  20  -6.897   0.720  -7.076
  168   1HH2  ARG  20          1HH2      ARG  20 -10.112  -0.265  -7.438
  169   2HH2  ARG  20          2HH2      ARG  20  -8.377  -0.352  -8.079
  170    H    THR  21           H        THR  21  -5.865   3.839  -3.089
  171    HA   THR  21           HA       THR  21  -3.900   4.834  -3.166
  172    HB   THR  21           HB       THR  21  -3.246   5.862  -5.059
  173    HG1  THR  21           HG1      THR  21  -4.194   7.714  -5.288
  174   1HG2  THR  21          1HG2      THR  21  -6.151   4.783  -5.903
  175   2HG2  THR  21          2HG2      THR  21  -4.726   4.782  -6.968
  176   3HG2  THR  21          3HG2      THR  21  -4.803   3.674  -5.571
  177    H    GLY  22           H        GLY  22  -5.503   5.890  -1.237
  178   1HA   GLY  22          1HA       GLY  22  -4.288   8.568  -0.579
  179   2HA   GLY  22          2HA       GLY  22  -5.475   7.703   0.338
  180    HA   PRO  23           HA       PRO  23  -2.450   6.193  -1.429
  181   1HB   PRO  23          1HB       PRO  23   0.194   6.206  -1.264
  182   2HB   PRO  23          2HB       PRO  23  -0.661   7.620  -0.677
  183   1HG   PRO  23          1HG       PRO  23   0.459   5.218   0.966
  184   2HG   PRO  23          2HG       PRO  23   0.772   6.943   1.275
  185   1HD   PRO  23          1HD       PRO  23  -1.388   5.428   2.429
  186   2HD   PRO  23          2HD       PRO  23  -1.157   7.223   2.354
  187    H    LEU  24           H        LEU  24  -3.084   3.923  -2.104
  188    HA   LEU  24           HA       LEU  24  -1.057   1.900  -1.411
  189   1HB   LEU  24          1HB       LEU  24  -3.609   0.638  -0.925
  190   2HB   LEU  24          2HB       LEU  24  -2.363   0.693   0.121
  191    HG   LEU  24           HG       LEU  24  -4.540   1.690   0.956
  192   1HD1  LEU  24          1HD2      LEU  24  -3.694   3.615   2.238
  193   2HD1  LEU  24          2HD2      LEU  24  -2.334   2.492   2.047
  194   3HD1  LEU  24          3HD2      LEU  24  -2.440   3.958   1.110
  195   1HD2  LEU  24          1HD1      LEU  24  -3.932   4.118  -0.875
  196   2HD2  LEU  24          2HD1      LEU  24  -5.295   2.967  -1.073
  197   3HD2  LEU  24          3HD1      LEU  24  -5.243   4.057   0.324
  198    H    CYS  25           H        CYS  25  -1.231  -0.377  -2.656
  199    HA   CYS  25           HA       CYS  25   0.463   1.402  -2.356
  200   1HB   CYS  25          1HB       CYS  25   0.395  -0.598  -1.335
  201   2HB   CYS  25          2HB       CYS  25   1.494  -0.791  -2.657
  202    HG   CYS  25           HG       CYS  25   3.249   0.569  -2.005
  203    HA   PRO  26           HA       PRO  26   2.299   2.576  -5.899
  204   1HB   PRO  26          1HB       PRO  26   0.564   2.672  -8.245
  205   2HB   PRO  26          2HB       PRO  26   2.072   1.737  -8.111
  206   1HG   PRO  26          1HG       PRO  26  -0.472   0.551  -8.338
  207   2HG   PRO  26          2HG       PRO  26   0.974  -0.236  -7.629
  208   1HD   PRO  26          2HD       PRO  26  -1.255   1.257  -6.063
  209   2HD   PRO  26          1HD       PRO  26  -0.581  -0.423  -5.823
  210    H    ALA  27           H        ALA  27  -0.264   2.999  -4.074
  211    HA   ALA  27           HA       ALA  27  -0.078   5.981  -4.854
  212   1HB   ALA  27          1HB       ALA  27  -2.342   5.328  -4.209
  213   2HB   ALA  27          2HB       ALA  27  -1.759   4.517  -2.749
  214   3HB   ALA  27          3HB       ALA  27  -1.631   6.287  -2.885
  215    H    CYS  28           H        CYS  28   1.783   3.532  -3.679
  216    HA   CYS  28           HA       CYS  28   2.575   4.775  -1.161
  217   1HB   CYS  28          1HB       CYS  28   3.610   2.902  -0.598
  218   2HB   CYS  28          2HB       CYS  28   2.858   2.309  -2.028
  219    HG   CYS  28           HG       CYS  28   5.960   3.436  -1.529
  220    H    MET  29           H        MET  29   3.828   6.218  -0.482
  221    HA   MET  29           HA       MET  29   6.459   6.778  -1.807
  222   1HB   MET  29          1HB       MET  29   6.198   9.322  -1.309
  223   2HB   MET  29          2HB       MET  29   5.416   8.649  -2.732
  224   1HG   MET  29          1HG       MET  29   3.429   8.470  -0.647
  225   2HG   MET  29          2HG       MET  29   4.223  10.018  -0.381
  226   1HE   MET  29          1HE       MET  29   4.696  11.819  -2.607
  227   2HE   MET  29          2HE       MET  29   5.304  10.386  -3.492
  228   3HE   MET  29          3HE       MET  29   4.041  11.419  -4.222
  229    H    LYS  30           H        LYS  30   6.449   5.148   0.080
  230    HA   LYS  30           HA       LYS  30   7.348   6.450   2.566
  231   1HB   LYS  30          1HB       LYS  30   6.442   3.564   1.995
  232   2HB   LYS  30          2HB       LYS  30   7.156   4.048   3.515
  233   1HG   LYS  30          1HG       LYS  30   4.800   4.066   3.913
  234   2HG   LYS  30          2HG       LYS  30   5.340   5.730   3.919
  235   1HD   LYS  30          1HD       LYS  30   4.539   5.645   1.307
  236   2HD   LYS  30          2HD       LYS  30   3.682   4.228   1.806
  237   1HE   LYS  30          1HE       LYS  30   2.390   6.495   1.777
  238   2HE   LYS  30          2HE       LYS  30   2.118   5.528   3.195
  239   1HZ   LYS  30          1HZ       LYS  30   2.698   7.482   4.177
  240   2HZ   LYS  30          2HZ       LYS  30   3.448   8.078   2.882
  241    H    ALA  31           H        ALA  31   9.288   5.670   3.741
  242    HA   ALA  31           HA       ALA  31  11.705   5.843   3.739
  243   1HB   ALA  31          1HB       ALA  31  12.648   3.851   2.543
  244   2HB   ALA  31          2HB       ALA  31  11.148   3.410   3.370
  245   3HB   ALA  31          3HB       ALA  31  11.163   3.649   1.604
  Start of MODEL   14
    1   1H    ILE   1          1H        ILE   1  10.777   2.971   3.724
    2   2H    ILE   1          2H        ILE   1  11.135   3.158   5.305
    3    HA   ILE   1           HA       ILE   1   9.348   1.837   6.011
    4    HB   ILE   1           HB       ILE   1   8.989   4.102   4.508
    5   1HG1  ILE   1          1HG1      ILE   1   7.993   4.012   7.323
    6   2HG1  ILE   1          2HG1      ILE   1   9.714   3.831   7.046
    7   1HG2  ILE   1          1HG2      ILE   1   6.483   4.395   5.109
    8   2HG2  ILE   1          2HG2      ILE   1   6.749   3.104   3.934
    9   3HG2  ILE   1          3HG2      ILE   1   6.487   2.695   5.644
   10   1HD1  ILE   1          1HD1      ILE   1   9.172   6.254   7.273
   11   2HD1  ILE   1          2HD1      ILE   1   9.810   5.902   5.644
   12   3HD1  ILE   1          3HD1      ILE   1   8.065   6.160   5.867
   13    H    CYS   2           H        CYS   2   7.713   2.316   3.002
   14    HA   CYS   2           HA       CYS   2   7.269  -0.418   2.461
   15   1HB   CYS   2          2HB       CYS   2   6.694   2.168   1.166
   16   2HB   CYS   2          1HB       CYS   2   6.446   0.741   0.171
   17    HG   CYS   2           HG       CYS   2   4.593  -0.301   1.206
   18    H    GLU   3           H        GLU   3   8.897  -1.768   2.157
   19    HA   GLU   3           HA       GLU   3  10.091  -1.873  -0.646
   20   1HB   GLU   3          1HB       GLU   3  10.540  -3.436   1.947
   21   2HB   GLU   3          2HB       GLU   3  10.774  -4.308   0.438
   22   1HG   GLU   3          2HG       GLU   3  12.867  -3.304   0.172
   23   2HG   GLU   3          1HG       GLU   3  12.194  -1.687   0.356
   24    HE2  GLU   3           HE2      GLU   3  12.747  -3.185   3.955
   25    H    GLU   4           H        GLU   4   9.797  -3.806  -1.963
   26    HA   GLU   4           HA       GLU   4   6.916  -3.948  -2.354
   27   1HB   GLU   4          1HB       GLU   4   9.416  -4.815  -3.901
   28   2HB   GLU   4          2HB       GLU   4   7.854  -5.303  -4.520
   29   1HG   GLU   4          1HG       GLU   4   7.490  -2.502  -4.066
   30   2HG   GLU   4          2HG       GLU   4   9.174  -2.589  -4.572
   31    HE2  GLU   4           HE2      GLU   4   6.864  -4.370  -7.256
   32    HA   PRO   5           HA       PRO   5   5.758  -7.912  -1.055
   33   1HB   PRO   5          1HB       PRO   5   7.122  -9.416   0.820
   34   2HB   PRO   5          2HB       PRO   5   7.545  -9.549  -0.897
   35   1HG   PRO   5          1HG       PRO   5   8.925  -7.832   1.239
   36   2HG   PRO   5          2HG       PRO   5   9.696  -8.950   0.094
   37   1HD   PRO   5          1HD       PRO   5   9.410  -6.175  -0.274
   38   2HD   PRO   5          2HD       PRO   5   9.644  -7.302  -1.655
   39    H    THR   6           H        THR   6   6.487  -5.216  -0.001
   40    HA   THR   6           HA       THR   6   4.684  -5.373   2.439
   41    HB   THR   6           HB       THR   6   5.952  -2.702   1.973
   42    HG1  THR   6           HG1      THR   6   7.449  -3.719   3.716
   43   1HG2  THR   6          1HG2      THR   6   4.174  -3.573   3.884
   44   2HG2  THR   6          2HG2      THR   6   5.687  -4.042   4.699
   45   3HG2  THR   6          3HG2      THR   6   5.407  -2.348   4.249
   46    H    CYS   7           H        CYS   7   5.108  -2.828  -0.137
   47    HA   CYS   7           HA       CYS   7   2.961  -2.461  -1.164
   48   1HB   CYS   7          1HB       CYS   7   5.570  -2.654  -2.387
   49   2HB   CYS   7          2HB       CYS   7   4.236  -2.112  -3.418
   50    HG   CYS   7           HG       CYS   7   5.818  -0.160  -2.454
   51    H    ARG   8           H        ARG   8   3.762  -5.166  -1.798
   52    HA   ARG   8           HA       ARG   8   1.168  -5.723  -3.318
   53   1HB   ARG   8          1HB       ARG   8   2.101  -7.469  -4.254
   54   2HB   ARG   8          2HB       ARG   8   3.549  -7.456  -3.279
   55   1HG   ARG   8          1HG       ARG   8   2.525  -8.975  -1.590
   56   2HG   ARG   8          2HG       ARG   8   0.950  -8.829  -2.349
   57   1HD   ARG   8          1HD       ARG   8   1.908  -9.948  -4.456
   58   2HD   ARG   8          2HD       ARG   8   3.420 -10.217  -3.544
   59   1HH1  ARG   8          1HH1      ARG   8   2.794 -12.047  -4.906
   60   2HH1  ARG   8          2HH1      ARG   8   2.591 -13.849  -4.574
   61   1HH2  ARG   8          1HH2      ARG   8   1.012 -13.164  -1.664
   62   2HH2  ARG   8          2HH2      ARG   8   1.525 -14.453  -2.891
   63    H    ASN   9           H        ASN   9   2.438  -6.474  -0.323
   64    HA   ASN   9           HA       ASN   9  -0.079  -6.787   1.182
   65   1HB   ASN   9          2HB       ASN   9   2.778  -6.250   2.046
   66   2HB   ASN   9          1HB       ASN   9   1.392  -5.973   3.117
   67   1HD2  ASN   9          2HD2      ASN   9   2.727  -8.436   0.879
   68   2HD2  ASN   9          1HD2      ASN   9   2.195  -9.819   1.969
   69    H    ARG  10           H        ARG  10   1.336  -3.553  -0.028
   70    HA   ARG  10           HA       ARG  10  -0.885  -2.369   1.308
   71   1HB   ARG  10          2HB       ARG  10   0.487  -0.093   1.032
   72   2HB   ARG  10          1HB       ARG  10   1.000  -1.394   2.064
   73   1HG   ARG  10          1HG       ARG  10   2.723  -0.538  -0.038
   74   2HG   ARG  10          2HG       ARG  10   2.610  -2.195   0.445
   75   1HD   ARG  10          1HD       ARG  10   1.453  -2.734  -1.408
   76   2HD   ARG  10          2HD       ARG  10   0.439  -1.282  -1.357
   77   1HH1  ARG  10          1HH1      ARG  10   0.098  -1.580  -3.428
   78   2HH1  ARG  10          2HH1      ARG  10   0.704  -1.625  -5.174
   79   1HH2  ARG  10          1HH2      ARG  10   3.682  -0.376  -4.124
   80   2HH2  ARG  10          2HH2      ARG  10   2.612  -0.847  -5.564
   81    H    THR  11           H        THR  11  -0.528  -3.242  -1.227
   82    HA   THR  11           HA       THR  11  -2.308  -1.592  -2.481
   83    HB   THR  11           HB       THR  11  -0.570  -3.450  -3.187
   84    HG1  THR  11           HG1      THR  11  -1.739  -2.914  -5.539
   85   1HG2  THR  11          1HG2      THR  11  -2.311  -4.948  -4.973
   86   2HG2  THR  11          2HG2      THR  11  -2.671  -5.133  -3.229
   87   3HG2  THR  11          3HG2      THR  11  -3.519  -3.994  -4.218
   88    H    ARG  12           H        ARG  12  -1.852  -4.480  -1.163
   89    HA   ARG  12           HA       ARG  12  -4.274  -5.635  -0.402
   90   1HB   ARG  12          2HB       ARG  12  -2.565  -7.036  -0.614
   91   2HB   ARG  12          1HB       ARG  12  -1.700  -5.647  -0.060
   92   1HG   ARG  12          1HG       ARG  12  -3.318  -7.831   1.615
   93   2HG   ARG  12          2HG       ARG  12  -1.568  -7.871   1.567
   94   1HD   ARG  12          1HD       ARG  12  -1.433  -5.815   2.921
   95   2HD   ARG  12          2HD       ARG  12  -3.170  -5.615   2.916
   96   1HH1  ARG  12          1HH1      ARG  12  -4.555  -5.980   4.049
   97   2HH1  ARG  12          2HH1      ARG  12  -5.172  -6.651   5.652
   98   1HH2  ARG  12          1HH2      ARG  12  -2.487  -8.698   5.854
   99   2HH2  ARG  12          2HH2      ARG  12  -4.072  -8.124   6.622
  100    H    HIS  13           H        HIS  13  -2.563  -4.201   2.205
  101    HA   HIS  13           HA       HIS  13  -4.512  -2.496   2.969
  102   1HB   HIS  13          1HB       HIS  13  -1.791  -1.269   3.334
  103   2HB   HIS  13          2HB       HIS  13  -2.948  -1.513   4.611
  104    HD2  HIS  13           HD2      HIS  13   0.399  -2.668   3.685
  105    HE1  HIS  13           HE1      HIS  13  -1.158  -5.987   5.664
  106    HE2  HIS  13           HE2      HIS  13   1.043  -5.008   4.723
  107    H    LEU  14           H        LEU  14  -3.509  -2.220   0.470
  108    HA   LEU  14           HA       LEU  14  -4.981   0.031   0.159
  109   1HB   LEU  14          1HB       LEU  14  -3.644   0.096  -1.773
  110   2HB   LEU  14          2HB       LEU  14  -3.991  -1.582  -1.995
  111    HG   LEU  14           HG       LEU  14  -6.405  -0.834  -2.278
  112   1HD1  LEU  14          1HD1      LEU  14  -4.770   1.403  -3.541
  113   2HD1  LEU  14          2HD1      LEU  14  -6.526   1.107  -3.866
  114   3HD1  LEU  14          3HD1      LEU  14  -5.996   1.540  -2.228
  115   1HD2  LEU  14          1HD2      LEU  14  -4.283  -0.974  -4.438
  116   2HD2  LEU  14          2HD2      LEU  14  -5.395  -2.291  -3.892
  117   3HD2  LEU  14          3HD2      LEU  14  -6.074  -0.931  -4.756
  118    HA   PRO  15           HA       PRO  15  -8.890  -1.902   0.353
  119   1HB   PRO  15          1HB       PRO  15  -7.585  -4.629   1.038
  120   2HB   PRO  15          2HB       PRO  15  -9.370  -4.403   0.803
  121   1HG   PRO  15          1HG       PRO  15  -8.122  -5.236  -1.474
  122   2HG   PRO  15          2HG       PRO  15  -8.940  -3.652  -1.631
  123   1HD   PRO  15          1HD       PRO  15  -6.026  -4.236  -0.924
  124   2HD   PRO  15          2HD       PRO  15  -6.655  -3.073  -2.195
  125    H    LEU  16           H        LEU  16  -6.474  -1.813   1.930
  126    HA   LEU  16           HA       LEU  16  -7.812  -1.600   4.403
  127   1HB   LEU  16          1HB       LEU  16  -5.062  -2.171   4.184
  128   2HB   LEU  16          2HB       LEU  16  -5.073  -0.473   4.602
  129    HG   LEU  16           HG       LEU  16  -6.878  -2.023   6.367
  130   1HD1  LEU  16          1HD1      LEU  16  -5.041  -3.209   7.660
  131   2HD1  LEU  16          2HD1      LEU  16  -5.151  -3.858   6.016
  132   3HD1  LEU  16          3HD1      LEU  16  -3.846  -2.725   6.431
  133   1HD2  LEU  16          1HD2      LEU  16  -6.047   0.277   6.924
  134   2HD2  LEU  16          2HD2      LEU  16  -5.559  -0.872   8.189
  135   3HD2  LEU  16          3HD2      LEU  16  -4.375  -0.320   6.976
  136    H    GLN  17           H        GLN  17  -9.007  -0.385   2.768
  137    HA   GLN  17           HA       GLN  17  -8.057   2.445   2.224
  138   1HB   GLN  17          1HB       GLN  17  -9.538   2.390   0.300
  139   2HB   GLN  17          2HB       GLN  17  -8.492   1.000   0.303
  140   1HG   GLN  17          1HG       GLN  17 -10.263  -0.556   0.604
  141   2HG   GLN  17          2HG       GLN  17 -11.283   0.557   1.486
  142   1HE2  GLN  17          2HE2      GLN  17 -12.438   2.164   0.237
  143   2HE2  GLN  17          1HE2      GLN  17 -12.832   1.758  -1.520
  144    H    PHE  18           H        PHE  18  -8.498   3.156   4.202
  145    HA   PHE  18           HA       PHE  18 -10.649   5.214   4.246
  146   1HB   PHE  18          1HB       PHE  18  -7.969   4.556   5.468
  147   2HB   PHE  18          2HB       PHE  18  -7.937   6.195   4.891
  148    HD1  PHE  18           HD1      PHE  18  -8.844   4.014   7.544
  149    HD2  PHE  18           HD2      PHE  18  -9.349   7.953   5.902
  150    HE1  PHE  18           HE1      PHE  18  -8.877   4.886   9.735
  151    HE2  PHE  18           HE2      PHE  18  -9.391   8.882   8.080
  152    HZ   PHE  18           HZ       PHE  18  -9.193   7.387  10.137
  153    H    SER  19           H        SER  19  -7.868   4.465   2.520
  154    HA   SER  19           HA       SER  19  -7.806   6.712   0.450
  155   1HB   SER  19          1HB       SER  19  -5.515   5.267   0.245
  156   2HB   SER  19          2HB       SER  19  -5.860   6.887   0.832
  157    HG   SER  19           HG       SER  19  -5.305   6.352   2.716
  158    H    ARG  20           H        ARG  20  -8.624   6.333  -1.366
  159    HA   ARG  20           HA       ARG  20  -8.184   3.724  -2.813
  160   1HB   ARG  20          1HB       ARG  20 -10.481   5.403  -2.916
  161   2HB   ARG  20          2HB       ARG  20  -9.811   5.365  -4.534
  162   1HG   ARG  20          2HG       ARG  20 -10.869   2.961  -2.922
  163   2HG   ARG  20          1HG       ARG  20 -11.527   3.601  -4.427
  164   1HD   ARG  20          1HD       ARG  20  -9.705   2.714  -5.743
  165   2HD   ARG  20          2HD       ARG  20  -8.666   2.501  -4.341
  166   1HH1  ARG  20          1HH1      ARG  20  -8.267   0.905  -5.997
  167   2HH1  ARG  20          2HH1      ARG  20  -8.568  -0.845  -6.493
  168   1HH2  ARG  20          1HH2      ARG  20 -11.102  -1.061  -4.259
  169   2HH2  ARG  20          2HH2      ARG  20  -9.922  -1.970  -5.359
  170    H    THR  21           H        THR  21  -6.114   3.738  -3.361
  171    HA   THR  21           HA       THR  21  -4.125   4.812  -3.050
  172    HB   THR  21           HB       THR  21  -3.363   5.954  -4.986
  173    HG1  THR  21           HG1      THR  21  -4.568   6.689  -6.581
  174   1HG2  THR  21          1HG2      THR  21  -5.562   3.771  -5.839
  175   2HG2  THR  21          2HG2      THR  21  -4.054   4.084  -6.729
  176   3HG2  THR  21          3HG2      THR  21  -4.004   3.299  -5.127
  177    H    GLY  22           H        GLY  22  -5.772   6.080  -1.328
  178   1HA   GLY  22          1HA       GLY  22  -4.651   8.853  -1.041
  179   2HA   GLY  22          2HA       GLY  22  -5.801   8.072  -0.008
  180    HA   PRO  23           HA       PRO  23  -2.761   6.427  -1.601
  181   1HB   PRO  23          1HB       PRO  23  -0.125   6.450  -1.470
  182   2HB   PRO  23          2HB       PRO  23  -0.966   7.932  -1.056
  183   1HG   PRO  23          1HG       PRO  23   0.143   5.744   0.871
  184   2HG   PRO  23          2HG       PRO  23   0.502   7.486   0.943
  185   1HD   PRO  23          1HD       PRO  23  -1.661   6.210   2.329
  186   2HD   PRO  23          2HD       PRO  23  -1.412   7.969   1.974
  187    H    LEU  24           H        LEU  24  -3.487   4.031  -1.858
  188    HA   LEU  24           HA       LEU  24  -1.196   2.298  -1.218
  189   1HB   LEU  24          1HB       LEU  24  -4.133   1.695  -0.603
  190   2HB   LEU  24          2HB       LEU  24  -3.063   0.479  -0.450
  191    HG   LEU  24           HG       LEU  24  -3.476   1.271   1.769
  192   1HD1  LEU  24          1HD2      LEU  24  -1.377   2.051   2.792
  193   2HD1  LEU  24          2HD2      LEU  24  -0.925   1.016   1.424
  194   3HD1  LEU  24          3HD2      LEU  24  -0.793   2.751   1.332
  195   1HD2  LEU  24          1HD1      LEU  24  -2.805   4.180   0.925
  196   2HD2  LEU  24          2HD1      LEU  24  -4.447   3.530   1.249
  197   3HD2  LEU  24          3HD1      LEU  24  -3.272   3.683   2.567
  198    H    CYS  25           H        CYS  25  -1.049  -0.071  -2.427
  199    HA   CYS  25           HA       CYS  25   0.297   2.144  -2.158
  200   1HB   CYS  25          2HB       CYS  25  -0.113   0.559  -0.595
  201   2HB   CYS  25          1HB       CYS  25   1.299   0.075  -1.401
  202    HG   CYS  25           HG       CYS  25   2.089   1.008   0.871
  203    HA   PRO  26           HA       PRO  26   2.765   2.740  -5.309
  204   1HB   PRO  26          1HB       PRO  26   1.870   2.583  -7.822
  205   2HB   PRO  26          2HB       PRO  26   2.279   1.021  -7.073
  206   1HG   PRO  26          1HG       PRO  26  -0.466   2.368  -7.269
  207   2HG   PRO  26          2HG       PRO  26   0.004   0.683  -7.659
  208   1HD   PRO  26          2HD       PRO  26  -1.019   1.554  -5.087
  209   2HD   PRO  26          1HD       PRO  26  -0.260  -0.026  -5.512
  210    H    ALA  27           H        ALA  27  -0.058   3.304  -3.874
  211    HA   ALA  27           HA       ALA  27   0.149   6.281  -4.663
  212   1HB   ALA  27          1HB       ALA  27  -2.096   5.465  -4.100
  213   2HB   ALA  27          2HB       ALA  27  -1.511   4.704  -2.614
  214   3HB   ALA  27          3HB       ALA  27  -1.502   6.478  -2.758
  215    H    CYS  28           H        CYS  28   2.056   3.940  -3.334
  216    HA   CYS  28           HA       CYS  28   2.808   5.424  -0.905
  217   1HB   CYS  28          1HB       CYS  28   3.090   3.375  -0.186
  218   2HB   CYS  28          2HB       CYS  28   3.095   2.764  -1.793
  219    HG   CYS  28           HG       CYS  28   5.492   2.296  -1.992
  220    H    MET  29           H        MET  29   4.064   6.972  -0.561
  221    HA   MET  29           HA       MET  29   6.714   7.268  -2.022
  222   1HB   MET  29          1HB       MET  29   6.632   9.752  -1.599
  223   2HB   MET  29          2HB       MET  29   5.439   9.164  -2.747
  224   1HG   MET  29          1HG       MET  29   3.684   9.238  -0.839
  225   2HG   MET  29          2HG       MET  29   4.912   9.946   0.204
  226   1HE   MET  29          1HE       MET  29   2.139  12.662  -1.248
  227   2HE   MET  29          2HE       MET  29   1.894  10.959  -1.748
  228   3HE   MET  29          3HE       MET  29   2.319  11.342  -0.054
  229    H    LYS  30           H        LYS  30   6.651   5.560  -0.209
  230    HA   LYS  30           HA       LYS  30   7.251   6.622   2.474
  231   1HB   LYS  30          1HB       LYS  30   5.929   4.029   1.512
  232   2HB   LYS  30          2HB       LYS  30   6.568   4.148   3.134
  233   1HG   LYS  30          1HG       LYS  30   4.365   4.702   3.570
  234   2HG   LYS  30          2HG       LYS  30   5.101   6.285   3.453
  235   1HD   LYS  30          1HD       LYS  30   4.068   6.702   1.269
  236   2HD   LYS  30          2HD       LYS  30   3.825   5.019   0.959
  237   1HE   LYS  30          1HE       LYS  30   2.228   6.784   2.934
  238   2HE   LYS  30          2HE       LYS  30   1.612   6.172   1.428
  239   1HZ   LYS  30          1HZ       LYS  30   2.486   4.528   3.781
  240   2HZ   LYS  30          2HZ       LYS  30   1.940   3.883   2.410
  241    H    ALA  31           H        ALA  31   9.525   6.942   2.300
  242    HA   ALA  31           HA       ALA  31  11.885   6.442   1.889
  243   1HB   ALA  31          1HB       ALA  31  12.470   4.477   3.332
  244   2HB   ALA  31          2HB       ALA  31  11.225   5.456   4.118
  245   3HB   ALA  31          3HB       ALA  31  10.794   3.915   3.335
  Start of MODEL   15
    1   1H    ILE   1          1H        ILE   1  10.720   2.453   4.134
    2   2H    ILE   1          2H        ILE   1  10.721   1.929   5.679
    3    HA   ILE   1           HA       ILE   1   9.281   0.111   5.176
    4    HB   ILE   1           HB       ILE   1   8.136   2.434   4.166
    5   1HG1  ILE   1          1HG1      ILE   1   7.656   2.439   7.025
    6   2HG1  ILE   1          2HG1      ILE   1   9.379   2.400   6.704
    7   1HG2  ILE   1          1HG2      ILE   1   5.992   1.700   5.428
    8   2HG2  ILE   1          2HG2      ILE   1   6.476   0.570   4.161
    9   3HG2  ILE   1          3HG2      ILE   1   6.861   0.204   5.857
   10   1HD1  ILE   1          1HD1      ILE   1   8.601   4.769   6.714
   11   2HD1  ILE   1          2HD1      ILE   1   9.228   4.320   5.105
   12   3HD1  ILE   1          3HD1      ILE   1   7.472   4.427   5.365
   13    H    CYS   2           H        CYS   2   8.369   1.845   2.389
   14    HA   CYS   2           HA       CYS   2   8.433  -0.503   0.725
   15   1HB   CYS   2          2HB       CYS   2   7.538   2.309   0.156
   16   2HB   CYS   2          1HB       CYS   2   7.132   0.919  -0.836
   17    HG   CYS   2           HG       CYS   2   5.085   1.675   0.610
   18    H    GLU   3           H        GLU   3  10.400  -0.109  -2.152
   19    HA   GLU   3           HA       GLU   3  10.599  -2.437  -1.630
   20   1HB   GLU   3          1HB       GLU   3  10.772  -1.316   0.869
   21   2HB   GLU   3          2HB       GLU   3   9.200  -2.079   1.070
   22   1HG   GLU   3          2HG       GLU   3  10.283  -4.094   1.499
   23   2HG   GLU   3          1HG       GLU   3  11.038  -4.067  -0.092
   24    HE2  GLU   3           HE2      GLU   3  13.348  -3.880   2.859
   25    H    GLU   4           H        GLU   4   9.352  -3.009  -3.259
   26    HA   GLU   4           HA       GLU   4   6.454  -3.026  -2.981
   27   1HB   GLU   4          1HB       GLU   4   8.075  -4.290  -5.278
   28   2HB   GLU   4          2HB       GLU   4   6.479  -3.580  -5.376
   29   1HG   GLU   4          1HG       GLU   4   7.625  -1.708  -6.190
   30   2HG   GLU   4          2HG       GLU   4   7.956  -1.347  -4.498
   31    HE2  GLU   4           HE2      GLU   4  10.901  -3.427  -6.203
   32    HA   PRO   5           HA       PRO   5   5.446  -7.178  -1.960
   33   1HB   PRO   5          1HB       PRO   5   7.079  -8.737  -0.374
   34   2HB   PRO   5          2HB       PRO   5   7.270  -8.762  -2.137
   35   1HG   PRO   5          1HG       PRO   5   8.875  -7.101  -0.114
   36   2HG   PRO   5          2HG       PRO   5   9.521  -8.159  -1.386
   37   1HD   PRO   5          1HD       PRO   5   9.153  -5.393  -1.630
   38   2HD   PRO   5          2HD       PRO   5   9.172  -6.470  -3.069
   39    H    THR   6           H        THR   6   6.375  -4.533  -0.756
   40    HA   THR   6           HA       THR   6   5.278  -4.858   2.070
   41    HB   THR   6           HB       THR   6   6.644  -2.266   1.402
   42    HG1  THR   6           HG1      THR   6   7.842  -4.742   1.820
   43   1HG2  THR   6          1HG2      THR   6   6.731  -1.995   3.748
   44   2HG2  THR   6          2HG2      THR   6   5.296  -3.048   3.670
   45   3HG2  THR   6          3HG2      THR   6   6.883  -3.735   4.066
   46    H    CYS   7           H        CYS   7   4.998  -2.046  -0.302
   47    HA   CYS   7           HA       CYS   7   2.639  -1.864  -0.662
   48   1HB   CYS   7          2HB       CYS   7   3.813  -2.039  -3.334
   49   2HB   CYS   7          1HB       CYS   7   3.122  -0.585  -2.652
   50    HG   CYS   7           HG       CYS   7   5.564  -0.316  -3.582
   51    H    ARG   8           H        ARG   8   3.515  -4.316  -1.841
   52    HA   ARG   8           HA       ARG   8   0.871  -5.108  -3.167
   53   1HB   ARG   8          1HB       ARG   8   1.917  -6.514  -4.404
   54   2HB   ARG   8          2HB       ARG   8   3.471  -6.321  -3.634
   55   1HG   ARG   8          1HG       ARG   8   3.128  -8.231  -2.161
   56   2HG   ARG   8          2HG       ARG   8   1.393  -8.220  -2.416
   57   1HD   ARG   8          1HD       ARG   8   1.871  -8.852  -4.907
   58   2HD   ARG   8          2HD       ARG   8   3.553  -9.146  -4.385
   59   1HH1  ARG   8          1HH1      ARG   8   0.760 -10.084  -5.548
   60   2HH1  ARG   8          2HH1      ARG   8   0.003 -11.763  -5.569
   61   1HH2  ARG   8          1HH2      ARG   8   1.761 -12.620  -2.810
   62   2HH2  ARG   8          2HH2      ARG   8   0.490 -13.113  -4.063
   63    H    ASN   9           H        ASN   9   2.635  -5.825  -0.457
   64    HA   ASN   9           HA       ASN   9   0.515  -6.757   1.378
   65   1HB   ASN   9          2HB       ASN   9   3.328  -5.692   1.779
   66   2HB   ASN   9          1HB       ASN   9   2.183  -5.896   3.112
   67   1HD2  ASN   9          2HD2      ASN   9   3.406  -7.524   4.037
   68   2HD2  ASN   9          1HD2      ASN   9   3.552  -9.165   3.218
   69    H    ARG  10           H        ARG  10   1.403  -3.377   0.497
   70    HA   ARG  10           HA       ARG  10  -1.022  -2.333   1.784
   71   1HB   ARG  10          2HB       ARG  10   0.548  -0.090   0.896
   72   2HB   ARG  10          1HB       ARG  10   0.042  -0.549   2.491
   73   1HG   ARG  10          2HG       ARG  10   2.170  -2.031   2.703
   74   2HG   ARG  10          1HG       ARG  10   2.777  -1.290   1.235
   75   1HD   ARG  10          1HD       ARG  10   3.756   0.037   2.828
   76   2HD   ARG  10          2HD       ARG  10   2.285   0.985   2.549
   77   1HH1  ARG  10          1HH1      ARG  10   2.738   2.292   4.065
   78   2HH1  ARG  10          2HH1      ARG  10   2.122   2.786   5.730
   79   1HH2  ARG  10          1HH2      ARG  10   1.247  -0.409   6.389
   80   2HH2  ARG  10          2HH2      ARG  10   1.426   1.319   7.030
   81    H    THR  11           H        THR  11  -0.683  -3.117  -0.720
   82    HA   THR  11           HA       THR  11  -2.397  -1.689  -2.237
   83    HB   THR  11           HB       THR  11  -0.690  -3.902  -2.527
   84    HG1  THR  11           HG1      THR  11   0.161  -2.915  -4.270
   85   1HG2  THR  11          1HG2      THR  11  -2.113  -4.531  -5.020
   86   2HG2  THR  11          2HG2      THR  11  -3.081  -4.746  -3.529
   87   3HG2  THR  11          3HG2      THR  11  -3.153  -3.289  -4.458
   88    H    ARG  12           H        ARG  12  -1.818  -4.482  -0.786
   89    HA   ARG  12           HA       ARG  12  -4.150  -5.796  -0.047
   90   1HB   ARG  12          2HB       ARG  12  -2.284  -7.042  -0.178
   91   2HB   ARG  12          1HB       ARG  12  -1.579  -5.565   0.410
   92   1HG   ARG  12          1HG       ARG  12  -2.686  -8.062   1.996
   93   2HG   ARG  12          2HG       ARG  12  -1.078  -7.383   2.174
   94   1HD   ARG  12          1HD       ARG  12  -1.895  -5.515   3.450
   95   2HD   ARG  12          2HD       ARG  12  -3.573  -5.842   3.086
   96   1HH1  ARG  12          1HH1      ARG  12  -4.964  -6.402   4.097
   97   2HH1  ARG  12          2HH1      ARG  12  -5.643  -7.144   5.641
   98   1HH2  ARG  12          1HH2      ARG  12  -2.631  -8.521   6.333
   99   2HH2  ARG  12          2HH2      ARG  12  -4.401  -8.311   6.834
  100    H    HIS  13           H        HIS  13  -2.439  -4.214   2.362
  101    HA   HIS  13           HA       HIS  13  -4.621  -2.550   3.258
  102   1HB   HIS  13          1HB       HIS  13  -1.750  -1.495   3.566
  103   2HB   HIS  13          2HB       HIS  13  -2.994  -1.372   4.776
  104    HD2  HIS  13           HD2      HIS  13  -3.706  -4.333   5.521
  105    HE1  HIS  13           HE1      HIS  13   0.371  -5.046   6.001
  106    HE2  HIS  13           HE2      HIS  13  -1.960  -6.031   6.541
  107    H    LEU  14           H        LEU  14  -3.580  -2.305   0.773
  108    HA   LEU  14           HA       LEU  14  -5.074  -0.117   0.393
  109   1HB   LEU  14          1HB       LEU  14  -3.677  -0.075  -1.547
  110   2HB   LEU  14          2HB       LEU  14  -4.066  -1.743  -1.782
  111    HG   LEU  14           HG       LEU  14  -6.459  -0.951  -2.074
  112   1HD1  LEU  14          1HD1      LEU  14  -4.766   1.312  -3.235
  113   2HD1  LEU  14          2HD1      LEU  14  -6.522   1.060  -3.592
  114   3HD1  LEU  14          3HD1      LEU  14  -6.006   1.417  -1.932
  115   1HD2  LEU  14          1HD2      LEU  14  -4.319  -1.044  -4.229
  116   2HD2  LEU  14          2HD2      LEU  14  -5.441  -2.372  -3.733
  117   3HD2  LEU  14          3HD2      LEU  14  -6.106  -0.981  -4.559
  118    HA   PRO  15           HA       PRO  15  -8.950  -2.121   0.493
  119   1HB   PRO  15          1HB       PRO  15  -7.561  -4.817   1.214
  120   2HB   PRO  15          2HB       PRO  15  -9.352  -4.648   0.975
  121   1HG   PRO  15          1HG       PRO  15  -8.082  -5.433  -1.304
  122   2HG   PRO  15          2HG       PRO  15  -8.936  -3.867  -1.454
  123   1HD   PRO  15          1HD       PRO  15  -6.014  -4.391  -0.747
  124   2HD   PRO  15          2HD       PRO  15  -6.668  -3.218  -2.003
  125    H    LEU  16           H        LEU  16  -6.581  -1.972   2.138
  126    HA   LEU  16           HA       LEU  16  -7.972  -1.755   4.548
  127   1HB   LEU  16          1HB       LEU  16  -5.261  -2.241   4.518
  128   2HB   LEU  16          2HB       LEU  16  -5.270  -0.501   4.689
  129    HG   LEU  16           HG       LEU  16  -7.055  -2.010   6.590
  130   1HD1  LEU  16          1HD2      LEU  16  -3.983  -2.023   6.864
  131   2HD1  LEU  16          2HD2      LEU  16  -5.100  -2.483   8.169
  132   3HD1  LEU  16          3HD2      LEU  16  -5.027  -3.447   6.671
  133   1HD2  LEU  16          1HD1      LEU  16  -6.093  -0.321   8.261
  134   2HD2  LEU  16          2HD1      LEU  16  -5.043   0.333   6.994
  135   3HD2  LEU  16          3HD1      LEU  16  -6.807   0.489   6.844
  136    H    GLN  17           H        GLN  17  -9.269  -0.648   2.916
  137    HA   GLN  17           HA       GLN  17  -8.332   2.117   2.101
  138   1HB   GLN  17          1HB       GLN  17  -9.934   1.868   0.231
  139   2HB   GLN  17          2HB       GLN  17  -8.745   0.600   0.288
  140   1HG   GLN  17          1HG       GLN  17 -10.568  -0.920   1.423
  141   2HG   GLN  17          2HG       GLN  17 -11.742   0.321   1.045
  142   1HE2  GLN  17          2HE2      GLN  17 -10.812   1.060  -1.516
  143   2HE2  GLN  17          1HE2      GLN  17 -11.095  -0.408  -2.600
  144    H    PHE  18           H        PHE  18  -8.772   2.999   4.018
  145    HA   PHE  18           HA       PHE  18 -10.904   5.074   3.873
  146   1HB   PHE  18          1HB       PHE  18  -8.306   4.469   5.234
  147   2HB   PHE  18          2HB       PHE  18  -8.131   6.008   4.446
  148    HD1  PHE  18           HD1      PHE  18  -9.098   4.326   7.364
  149    HD2  PHE  18           HD2      PHE  18  -9.618   7.948   5.112
  150    HE1  PHE  18           HE1      PHE  18  -9.130   5.539   9.388
  151    HE2  PHE  18           HE2      PHE  18  -9.662   9.215   7.113
  152    HZ   PHE  18           HZ       PHE  18  -9.455   8.071   9.382
  153    H    SER  19           H        SER  19  -8.127   4.147   2.253
  154    HA   SER  19           HA       SER  19  -7.893   6.287   0.087
  155   1HB   SER  19          1HB       SER  19  -5.649   4.660   0.200
  156   2HB   SER  19          2HB       SER  19  -5.929   6.379   0.427
  157    HG   SER  19           HG       SER  19  -5.231   6.026   2.333
  158    H    ARG  20           H        ARG  20  -8.589   5.844  -1.766
  159    HA   ARG  20           HA       ARG  20  -8.067   3.183  -3.054
  160   1HB   ARG  20          2HB       ARG  20 -10.538   3.571  -3.319
  161   2HB   ARG  20          1HB       ARG  20 -10.124   5.160  -3.928
  162   1HG   ARG  20          2HG       ARG  20 -10.826   3.623  -5.791
  163   2HG   ARG  20          1HG       ARG  20  -9.156   4.135  -6.035
  164   1HD   ARG  20          1HD       ARG  20  -8.289   1.974  -5.243
  165   2HD   ARG  20          2HD       ARG  20  -9.874   1.474  -4.668
  166   1HH1  ARG  20          1HH1      ARG  20 -10.662  -0.072  -5.190
  167   2HH1  ARG  20          2HH1      ARG  20 -11.180  -1.303  -6.459
  168   1HH2  ARG  20          1HH2      ARG  20  -9.646   0.504  -8.870
  169   2HH2  ARG  20          2HH2      ARG  20 -10.677  -0.977  -8.453
  170    H    THR  21           H        THR  21  -5.948   3.445  -3.246
  171    HA   THR  21           HA       THR  21  -4.027   4.562  -3.334
  172    HB   THR  21           HB       THR  21  -3.404   5.440  -5.296
  173    HG1  THR  21           HG1      THR  21  -4.595   6.657  -6.705
  174   1HG2  THR  21          1HG2      THR  21  -6.275   4.239  -6.088
  175   2HG2  THR  21          2HG2      THR  21  -4.840   4.199  -7.138
  176   3HG2  THR  21          3HG2      THR  21  -4.906   3.187  -5.670
  177    H    GLY  22           H        GLY  22  -5.724   5.653  -1.516
  178   1HA   GLY  22          1HA       GLY  22  -4.782   8.476  -1.074
  179   2HA   GLY  22          2HA       GLY  22  -5.922   7.586  -0.121
  180    HA   PRO  23           HA       PRO  23  -2.701   6.225  -1.640
  181   1HB   PRO  23          1HB       PRO  23  -0.075   6.524  -1.392
  182   2HB   PRO  23          2HB       PRO  23  -1.099   7.893  -1.001
  183   1HG   PRO  23          1HG       PRO  23   0.235   5.849   0.935
  184   2HG   PRO  23          2HG       PRO  23   0.282   7.624   1.069
  185   1HD   PRO  23          2HD       PRO  23  -1.583   5.811   2.170
  186   2HD   PRO  23          1HD       PRO  23  -1.806   7.610   2.212
  187    H    LEU  24           H        LEU  24  -3.309   3.846  -1.829
  188    HA   LEU  24           HA       LEU  24  -1.059   2.065  -1.113
  189   1HB   LEU  24          1HB       LEU  24  -3.947   1.333  -0.525
  190   2HB   LEU  24          2HB       LEU  24  -2.690   0.483   0.061
  191    HG   LEU  24           HG       LEU  24  -2.043   2.941   1.231
  192   1HD1  LEU  24          1HD2      LEU  24  -4.035   4.175   1.984
  193   2HD1  LEU  24          2HD2      LEU  24  -4.159   4.059   0.219
  194   3HD1  LEU  24          3HD2      LEU  24  -5.136   3.066   1.265
  195   1HD2  LEU  24          1HD1      LEU  24  -4.222   1.038   2.351
  196   2HD2  LEU  24          2HD1      LEU  24  -2.450   0.830   2.544
  197   3HD2  LEU  24          3HD1      LEU  24  -3.279   2.188   3.325
  198    H    CYS  25           H        CYS  25  -1.106  -0.331  -2.159
  199    HA   CYS  25           HA       CYS  25   0.499   1.541  -1.916
  200   1HB   CYS  25          1HB       CYS  25   0.437  -0.309  -0.652
  201   2HB   CYS  25          2HB       CYS  25   1.524  -0.666  -1.911
  202    HG   CYS  25           HG       CYS  25   3.320  -0.136  -0.346
  203    HA   PRO  26           HA       PRO  26   2.418   2.458  -5.416
  204   1HB   PRO  26          1HB       PRO  26   1.491   2.105  -7.926
  205   2HB   PRO  26          2HB       PRO  26   2.152   0.654  -7.136
  206   1HG   PRO  26          1HG       PRO  26  -0.770   1.538  -7.352
  207   2HG   PRO  26          2HG       PRO  26  -0.042  -0.081  -7.608
  208   1HD   PRO  26          2HD       PRO  26  -1.182   0.876  -5.098
  209   2HD   PRO  26          1HD       PRO  26  -0.276  -0.651  -5.422
  210    H    ALA  27           H        ALA  27  -0.195   2.907  -3.847
  211    HA   ALA  27           HA       ALA  27  -0.224   5.797  -4.943
  212   1HB   ALA  27          1HB       ALA  27  -2.456   5.012  -4.325
  213   2HB   ALA  27          2HB       ALA  27  -1.880   4.410  -2.765
  214   3HB   ALA  27          3HB       ALA  27  -1.896   6.161  -3.083
  215    H    CYS  28           H        CYS  28   1.727   3.627  -3.375
  216    HA   CYS  28           HA       CYS  28   2.317   5.222  -1.010
  217   1HB   CYS  28          1HB       CYS  28   3.277   3.420  -0.177
  218   2HB   CYS  28          2HB       CYS  28   2.753   2.662  -1.629
  219    HG   CYS  28           HG       CYS  28   5.683   3.460  -0.534
  220    H    MET  29           H        MET  29   3.618   6.663  -0.364
  221    HA   MET  29           HA       MET  29   6.164   7.326  -1.884
  222   1HB   MET  29          1HB       MET  29   4.315   9.217  -1.811
  223   2HB   MET  29          2HB       MET  29   4.796   9.425  -0.134
  224   1HG   MET  29          1HG       MET  29   6.130  11.029  -1.302
  225   2HG   MET  29          2HG       MET  29   7.265   9.703  -1.075
  226   1HE   MET  29          1HE       MET  29   8.071  11.697  -2.827
  227   2HE   MET  29          2HE       MET  29   8.062  11.345  -4.583
  228   3HE   MET  29          3HE       MET  29   6.698  12.231  -3.841
  229    H    LYS  30           H        LYS  30   6.346   5.297  -0.456
  230    HA   LYS  30           HA       LYS  30   7.318   5.890   2.262
  231   1HB   LYS  30          1HB       LYS  30   6.221   3.288   1.031
  232   2HB   LYS  30          2HB       LYS  30   6.927   3.367   2.627
  233   1HG   LYS  30          1HG       LYS  30   4.586   3.456   3.027
  234   2HG   LYS  30          2HG       LYS  30   5.206   5.056   3.365
  235   1HD   LYS  30          1HD       LYS  30   4.365   5.781   1.014
  236   2HD   LYS  30          2HD       LYS  30   3.756   4.181   0.770
  237   1HE   LYS  30          1HE       LYS  30   2.055   6.011   1.483
  238   2HE   LYS  30          2HE       LYS  30   1.907   4.526   2.372
  239   1HZ   LYS  30          1HZ       LYS  30   3.310   7.034   3.213
  240   2HZ   LYS  30          2HZ       LYS  30   3.466   5.672   4.059
  241    H    ALA  31           H        ALA  31   9.263   5.025   3.152
  242    HA   ALA  31           HA       ALA  31  11.735   5.157   2.943
  243   1HB   ALA  31          1HB       ALA  31  12.346   2.850   2.173
  244   2HB   ALA  31          2HB       ALA  31  10.892   2.788   3.177
  245   3HB   ALA  31          3HB       ALA  31  10.768   2.631   1.406