*HEADER    HYDROLASE                               18-JUN-98   3USN      
*TITLE     STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST         
*TITLE    2 STROMELYSIN-1 INHIBITED WITH THE THIADIAZOLE INHIBITOR       
*TITLE    3 IPNU-107859, NMR, 1 STRUCTURE                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: STROMELYSIN-1;                                     
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: CATALYTIC DOMAIN, RESIDUES 83(1) - 250(168);       
*COMPND   5 SYNONYM: MATRIX METALLOPROTEINASE-3, PROTEOGLYCANASE;        
*COMPND   6 EC: 3.4.24.17;                                               
*COMPND   7 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   4 CELL: FIBROBLAST;                                            
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSEE (PSTRO255)       
*KEYWDS    HYDROLASE, METALLOPROTEASE                                    
*EXPDTA    NMR, 1 STRUCTURE, RESTRAINED ENERGY MINIMIZATION AND          
*EXPDTA   2 RESTRAINED MOLECULAR DYNAMICS                                
*AUTHOR    B.J.STOCKMAN                                                  
*REVDAT   1   12-OCT-04 3USN    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:PHEN_1:CA        S
1:ARG_2:CA         S
1:THR_3:CA         S
1:THR_3:CB         R
1:PHE_4:CA         S
1:PRO_5:CA         S
1:ILE_7:CA         S
1:ILE_7:CB         R
1:PRO_8:CA         S
1:LYS_9:CA         S
1:TRP_10:CA        S
1:ARG_11:CA        S
1:LYS_12:CA        S
1:THR_13:CA        S
1:THR_13:CB        R
1:HISD_14:CA        S
1:LEU_15:CA        S
1:THR_16:CA        S
1:THR_16:CB        R
1:TYR_17:CA        S
1:ARG_18:CA        S
1:ILE_19:CA        S
1:ILE_19:CB        R
1:VAL_20:CA        S
1:ASN_21:CA        S
1:TYR_22:CA        S
1:THR_23:CA        S
1:THR_23:CB        R
1:PRO_24:CA        S
1:ASP_25:CA        S
1:LEU_26:CA        S
1:PRO_27:CA        S
1:LYS_28:CA        S
1:ASP_29:CA        S
1:ALA_30:CA        S
1:VAL_31:CA        S
1:ASP_32:CA        S
1:SER_33:CA        S
1:ALA_34:CA        S
1:VAL_35:CA        S
1:GLU_36:CA        S
1:LYS_37:CA        S
1:ALA_38:CA        S
1:LEU_39:CA        S
1:LYS_40:CA        S
1:VAL_41:CA        S
1:TRP_42:CA        S
1:GLU_43:CA        S
1:GLU_44:CA        S
1:VAL_45:CA        S
1:THR_46:CA        S
1:THR_46:CB        R
1:PRO_47:CA        S
1:LEU_48:CA        S
1:THR_49:CA        S
1:THR_49:CB        R
1:PHE_50:CA        S
1:SER_51:CA        S
1:ARG_52:CA        S
1:LEU_53:CA        S
1:TYR_54:CA        S
1:GLU_55:CA        S
1:GLU_57:CA        S
1:ALA_58:CA        S
1:ASP_59:CA        S
1:ILE_60:CA        S
1:ILE_60:CB        R
1:MET_61:CA        S
1:ILE_62:CA        S
1:ILE_62:CB        R
1:SER_63:CA        S
1:PHE_64:CA        S
1:ALA_65:CA        S
1:VAL_66:CA        S
1:ARG_67:CA        S
1:GLU_68:CA        S
1:HISD_69:CA       S
1:ASP_71:CA        S
1:PHE_72:CA        S
1:TYR_73:CA        S
1:PRO_74:CA        S
1:PHE_75:CA        S
1:ASP_76:CA        S
1:PRO_78:CA        S
1:ASN_80:CA        S
1:VAL_81:CA        S
1:LEU_82:CA        S
1:ALA_83:CA        S
1:HISD_84:CA       S
1:ALA_85:CA        S
1:TYR_86:CA        S
1:ALA_87:CA        S
1:PRO_88:CA        S
1:PRO_90:CA        S
1:ILE_92:CA        S
1:ILE_92:CB        R
1:ASN_93:CA        S
1:ASP_95:CA        S
1:ALA_96:CA        S
1:HIS_97:CA        S
1:PHE_98:CA        S
1:ASP_99:CA        S
1:ASP_100:CA       S
1:ASP_101:CA       S
1:GLU_102:CA       S
1:GLN_103:CA       S
1:TRP_104:CA       S
1:THR_105:CA       S
1:THR_105:CB       R
1:LYS_106:CA       S
1:ASP_107:CA       S
1:THR_108:CA       S
1:THR_108:CB       R
1:THR_109:CA       S
1:THR_109:CB       R
1:THR_111:CA       S
1:THR_111:CB       R
1:ASN_112:CA       S
1:LEU_113:CA       S
1:PHE_114:CA       S
1:LEU_115:CA       S
1:VAL_116:CA       S
1:ALA_117:CA       S
1:ALA_118:CA       S
1:HISD_119:CA      S
1:GLU_120:CA       S
1:ILE_121:CA       S
1:ILE_121:CB       R
1:HISD_123:CA      S
1:SER_124:CA       S
1:LEU_125:CA       S
1:LEU_127:CA       S
1:PHE_128:CA       S
1:HISD_129:CA      S
1:SER_130:CA       S
1:ALA_131:CA       S
1:ASN_132:CA       S
1:THR_133:CA       S
1:THR_133:CB       R
1:GLU_134:CA       S
1:ALA_135:CA       S
1:LEU_136:CA       S
1:MET_137:CA       S
1:TYR_138:CA       S
1:PRO_139:CA       S
1:LEU_140:CA       S
1:TYR_141:CA       S
1:HISD_142:CA       S
1:SER_143:CA       S
1:LEU_144:CA       S
1:THR_145:CA       S
1:THR_145:CB       R
1:ASP_146:CA       S
1:LEU_147:CA       S
1:THR_148:CA       S
1:THR_148:CB       R
1:ARG_149:CA       S
1:PHE_150:CA       S
1:ARG_151:CA       S
1:LEU_152:CA       S
1:SER_153:CA       S
1:GLN_154:CA       S
1:ASP_155:CA       S
1:ASP_156:CA       S
1:ILE_157:CA       S
1:ILE_157:CB       R
1:ASN_158:CA       S
1:ILE_160:CA       S
1:ILE_160:CB       R
1:GLN_161:CA       S
1:SER_162:CA       S
1:LEU_163:CA       S
1:TYR_164:CA       S
1:PRO_166:CA       S
1:PRO_167:CA       S
1:PROC_168:CA       S
1:THIA_174:C1      R
!
#distance
1:THR_13:O         1:THR_49:HN         1.900  2.100 40.00 40.00 1000.000
1:THR_49:O         1:LEU_15:HN         1.900  2.100 40.00 40.00 1000.000
1:LEU_15:O         1:SER_51:HN         1.900  2.100 40.00 40.00 1000.000
1:SER_51:O         1:TYR_17:HN         1.900  2.100 40.00 40.00 1000.000
1:TYR_17:O         1:LEU_53:HN         1.900  2.100 40.00 40.00 1000.000
1:LEU_53:O         1:ILE_19:HN         1.900  2.100 40.00 40.00 1000.000
1:ILE_60:O         1:ARG_18:HN         1.900  2.100 40.00 40.00 1000.000
1:ARG_18:O         1:ILE_62:HN         1.900  2.100 40.00 40.00 1000.000
1:ILE_62:O         1:VAL_20:HN         1.900  2.100 40.00 40.00 1000.000
1:MET_61:O         1:ALA_96:HN         1.900  2.100 40.00 40.00 1000.000
1:ALA_96:O         1:SER_63:HN         1.900  2.100 40.00 40.00 1000.000
1:SER_63:O         1:PHE_98:HN         1.900  2.100 40.00 40.00 1000.000
1:PHE_98:O         1:ALA_65:HN         1.900  2.100 40.00 40.00 1000.000
1:ALA_65:O         1:ASP_100:HN        1.900  2.100 40.00 40.00 1000.000
1:TYR_86:O         1:ASP_95:HN         1.900  2.100 40.00 40.00 1000.000
1:ASP_95:O         1:TYR_86:HN         1.900  2.100 40.00 40.00 1000.000
1:HISD_84:O        1:HIS_97:HN         1.900  2.100 40.00 40.00 1000.000
1:HIS_97:O         1:HISD_84:HN        1.900  2.100 40.00 40.00 1000.000
1:ASP_29:O         1:SER_33:HN         1.900  2.100 40.00 40.00 1000.000
1:ALA_30:O         1:ALA_34:HN         1.900  2.100 40.00 40.00 1000.000
1:VAL_31:O         1:VAL_35:HN         1.900  2.100 40.00 40.00 1000.000
1:ASP_32:O         1:GLU_36:HN         1.900  2.100 40.00 40.00 1000.000
1:SER_33:O         1:LYS_37:HN         1.900  2.100 40.00 40.00 1000.000
1:ALA_34:O         1:ALA_38:HN         1.900  2.100 40.00 40.00 1000.000
1:VAL_35:O         1:LEU_39:HN         1.900  2.100 40.00 40.00 1000.000
1:GLU_36:O         1:LYS_40:HN         1.900  2.100 40.00 40.00 1000.000
1:LYS_37:O         1:VAL_41:HN         1.900  2.100 40.00 40.00 1000.000
1:ALA_38:O         1:TRP_42:HN         1.900  2.100 40.00 40.00 1000.000
1:LEU_39:O         1:GLU_43:HN         1.900  2.100 40.00 40.00 1000.000
1:LYS_40:O         1:GLU_44:HN         1.900  2.100 40.00 40.00 1000.000
1:VAL_41:O         1:VAL_45:HN         1.900  2.100 40.00 40.00 1000.000
1:TRP_42:O         1:THR_46:HN         1.900  2.100 40.00 40.00 1000.000
1:LEU_115:O        1:HISD_119:HN       1.900  2.100 40.00 40.00 1000.000
1:VAL_116:O        1:GLU_120:HN        1.900  2.100 40.00 40.00 1000.000
1:ALA_117:O        1:ILE_121:HN        1.900  2.100 40.00 40.00 1000.000
1:ALA_118:O        1:GLY_122:HN        1.900  2.100 40.00 40.00 1000.000
1:HISD_119:O       1:HISD_123:HN       1.900  2.100 40.00 40.00 1000.000
1:GLU_120:O        1:SER_124:HN        1.900  2.100 40.00 40.00 1000.000
1:ILE_121:O        1:LEU_125:HN        1.900  2.100 40.00 40.00 1000.000
1:ASP_155:O        1:GLY_159:HN        1.900  2.100 40.00 40.00 1000.000
1:ASP_156:O        1:ILE_160:HN        1.900  2.100 40.00 40.00 1000.000
1:ILE_157:O        1:GLN_161:HN        1.900  2.100 40.00 40.00 1000.000
1:ASN_158:O        1:SER_162:HN        1.900  2.100 40.00 40.00 1000.000
1:GLY_159:O        1:LEU_163:HN        1.900  2.100 40.00 40.00 1000.000
1:ILE_160:O        1:TYR_164:HN        1.900  2.100 40.00 40.00 1000.000
1:THR_13:O         1:THR_49:N          2.800  3.100 40.00 40.00 1000.000
1:THR_49:O         1:LEU_15:N          2.800  3.100 40.00 40.00 1000.000
1:LEU_15:O         1:SER_51:N          2.800  3.100 40.00 40.00 1000.000
1:SER_51:O         1:TYR_17:N          2.800  3.100 40.00 40.00 1000.000
1:TYR_17:O         1:LEU_53:N          2.800  3.100 40.00 40.00 1000.000
1:LEU_53:O         1:ILE_19:N          2.800  3.100 40.00 40.00 1000.000
1:ILE_60:O         1:ARG_18:N          2.800  3.100 40.00 40.00 1000.000
1:ARG_18:O         1:ILE_62:N          2.800  3.100 40.00 40.00 1000.000
1:ILE_62:O         1:VAL_20:N          2.800  3.100 40.00 40.00 1000.000
1:MET_61:O         1:ALA_96:N          2.800  3.100 40.00 40.00 1000.000
1:ALA_96:O         1:SER_63:N          2.800  3.100 40.00 40.00 1000.000
1:SER_63:O         1:PHE_98:N          2.800  3.100 40.00 40.00 1000.000
1:PHE_98:O         1:ALA_65:N          2.800  3.100 40.00 40.00 1000.000
1:ALA_65:O         1:ASP_100:N         2.800  3.100 40.00 40.00 1000.000
1:TYR_86:O         1:ASP_95:N          2.800  3.100 40.00 40.00 1000.000
1:ASP_95:O         1:TYR_86:N          2.800  3.100 40.00 40.00 1000.000
1:HISD_84:O        1:HIS_97:N          2.800  3.100 40.00 40.00 1000.000
1:HIS_97:O         1:HISD_84:N         2.800  3.100 40.00 40.00 1000.000
1:ASP_29:O         1:SER_33:N          2.800  3.100 40.00 40.00 1000.000
1:ALA_30:O         1:ALA_34:N          2.800  3.100 40.00 40.00 1000.000
1:VAL_31:O         1:VAL_35:N          2.800  3.100 40.00 40.00 1000.000
1:ASP_32:O         1:GLU_36:N          2.800  3.100 40.00 40.00 1000.000
1:SER_33:O         1:LYS_37:N          2.800  3.100 40.00 40.00 1000.000
1:ALA_34:O         1:ALA_38:N          2.800  3.100 40.00 40.00 1000.000
1:VAL_35:O         1:LEU_39:N          2.800  3.100 40.00 40.00 1000.000
1:GLU_36:O         1:LYS_40:N          2.800  3.100 40.00 40.00 1000.000
1:LYS_37:O         1:VAL_41:N          2.800  3.100 40.00 40.00 1000.000
1:ALA_38:O         1:TRP_42:N          2.800  3.100 40.00 40.00 1000.000
1:LEU_39:O         1:GLU_43:N          2.800  3.100 40.00 40.00 1000.000
1:LYS_40:O         1:GLU_44:N          2.800  3.100 40.00 40.00 1000.000
1:VAL_41:O         1:VAL_45:N          2.800  3.100 40.00 40.00 1000.000
1:TRP_42:O         1:THR_46:N          2.800  3.100 40.00 40.00 1000.000
1:LEU_115:O        1:HISD_119:N        2.800  3.100 40.00 40.00 1000.000
1:VAL_116:O        1:GLU_120:N         2.800  3.100 40.00 40.00 1000.000
1:ALA_117:O        1:ILE_121:N         2.800  3.100 40.00 40.00 1000.000
1:ALA_118:O        1:GLY_122:N         2.800  3.100 40.00 40.00 1000.000
1:HISD_119:O       1:HISD_123:N        2.800  3.100 40.00 40.00 1000.000
1:GLU_120:O        1:SER_124:N         2.800  3.100 40.00 40.00 1000.000
1:ILE_121:O        1:LEU_125:N         2.800  3.100 40.00 40.00 1000.000
1:ASP_155:O        1:GLY_159:N         2.800  3.100 40.00 40.00 1000.000
1:ASP_156:O        1:ILE_160:N         2.800  3.100 40.00 40.00 1000.000
1:ILE_157:O        1:GLN_161:N         2.800  3.100 40.00 40.00 1000.000
1:ASN_158:O        1:SER_162:N         2.800  3.100 40.00 40.00 1000.000
1:GLY_159:O        1:LEU_163:N         2.800  3.100 40.00 40.00 1000.000
1:ILE_160:O        1:TYR_164:N         2.800  3.100 40.00 40.00 1000.000
1:ZINC_169:ZNA        1:HISD_119:NE2      2.000  2.300 40.00 40.00 1000.000
1:ZINC_169:ZNA        1:HISD_123:NE2      2.000  2.300 40.00 40.00 1000.000
1:ZINC_169:ZNA        1:HISD_129:NE2      2.000  2.300 40.00 40.00 1000.000
1:THIA_174:S2         1:ZINC_169:ZNA      2.200  2.500 40.00 40.00 1000.000
1:ZINC_170:ZNA        1:HISD_69:NE2       2.000  2.300 40.00 40.00 1000.000
1:ZINC_170:ZNA        1:HISD_84:NE2       2.000  2.300 40.00 40.00 1000.000
1:ZINC_170:ZNA        1:HIS_97:ND1        2.000  2.300 40.00 40.00 1000.000
1:ZINC_170:ZNA        1:ASP_71:OD2        2.000  2.300 40.00 40.00 1000.000
1:CALC_171:CAA        1:ASP_76:OD1        2.100  2.600 40.00 40.00 1000.000
1:CALC_171:CAA        1:ASP_99:OD2        2.100  2.600 40.00 40.00 1000.000
1:CALC_171:CAA        1:GLU_102:OE2       2.100  2.600 40.00 40.00 1000.000
1:CALC_171:CAA        1:GLY_77:O          2.100  2.600 40.00 40.00 1000.000
1:CALC_171:CAA        1:GLY_79:O          2.100  2.600 40.00 40.00 1000.000
1:CALC_171:CAA        1:VAL_81:O          2.100  2.600 40.00 40.00 1000.000
1:CALC_172:CAA        1:ASP_59:OD1        2.100  2.600 40.00 40.00 1000.000
1:CALC_172:CAA        1:GLY_91:O          2.100  2.600 40.00 40.00 1000.000
1:CALC_172:CAA        1:ASN_93:O          2.100  2.600 40.00 40.00 1000.000
1:CALC_172:CAA        1:ASP_95:O          2.100  2.600 40.00 40.00 1000.000
1:CALC_173:CAA        1:ASP_25:OD2        2.100  2.600 40.00 40.00 1000.000
1:CALC_173:CAA        1:ASP_100:OD1       2.100  2.600 40.00 40.00 1000.000
1:CALC_173:CAA        1:GLU_102:O         2.100  2.600 40.00 40.00 1000.000
!
#NOE_distance
1:LYS_9:HN         1:PRO_8:HA         -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:PHE_50:HN        1:LEU_15:HA        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ARG_18:HN        1:ILE_62:HG*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:SER_63:HN        1:ALA_96:HB*       -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:VAL_66:HN        1:PHE_98:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ALA_65:HN        1:ASP_100:HN       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:HIS_97:HN        1:SER_63:HA        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:PHE_64:HN        1:ALA_96:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_29:HN        1:ALA_30:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ALA_30:HN        1:VAL_31:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:VAL_31:HN        1:ASP_32:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ASP_32:HN        1:SER_33:HN        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:SER_33:HN        1:ALA_34:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_34:HN        1:VAL_35:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:VAL_35:HN        1:GLU_36:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLU_36:HN        1:LYS_37:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LYS_37:HN        1:ALA_38:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_38:HN        1:LEU_39:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_39:HN        1:LYS_40:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LYS_40:HN        1:VAL_41:HN        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:VAL_41:HN        1:TRP_42:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:TRP_42:HN        1:GLU_43:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLU_43:HN        1:GLU_44:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLU_44:HN        1:VAL_45:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:VAL_45:HN        1:THR_46:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_115:HN       1:VAL_116:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:VAL_116:HN       1:ALA_117:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ALA_117:HN       1:ALA_118:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ALA_118:HN       1:HISD_119:HN      -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:HISD_119:HN      1:GLU_120:HN       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ILE_121:HN       1:GLY_122:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:GLY_122:HN       1:HISD_123:HN      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:HISD_123:HN      1:SER_124:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:SER_124:HN       1:LEU_125:HN       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:SER_143:HN       1:LEU_144:HN       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
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1:GLY_56:HN        1:GLU_55:HA        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLU_44:HN        1:GLU_43:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
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1:GLN_103:HN       1:TRP_104:HN       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
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1:PHE_114:HN       1:LEU_115:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
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1:GLU_134:HN       1:ALA_135:HN       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
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1:THR_148:HN       1:LEU_147:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
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1:GLN_154:HN       1:ASP_155:HN       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLN_154:HN       1:SER_153:HA       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
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1:GLY_159:HN       1:ASN_158:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_163:HN       1:SER_162:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:TRP_10:HN        1:LYS_9:HA         -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
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1:HISD_14:HN        1:THR_13:HB        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00 
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1:VAL_31:HN        1:LYS_28:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
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1:ALA_34:HN        1:SER_33:HB*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
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1:VAL_41:HN        1:LYS_40:HD*       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:TRP_42:HN        1:LYS_40:HA        -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
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1:ALA_58:HN        1:GLU_57:HG*       -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ASP_59:HN        1:ALA_58:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:MET_61:HN        1:ILE_60:HA        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:MET_61:HN        1:ILE_60:HD*       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ILE_62:HN        1:ILE_60:HD*       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:PHE_64:HN        1:ALA_65:HN        -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:PHE_64:HN        1:SER_63:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ALA_65:HN        1:PHE_64:HA        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:VAL_66:HN        1:ALA_65:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:VAL_66:HN        1:ALA_65:HB*       -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ARG_67:HN        1:VAL_66:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_67:HN        1:GLU_68:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:HISD_69:HN       1:GLU_68:HB*       -1.000  7.000  6.000 40.00 40.00 1000.000  0.00
1:GLU_68:HN        1:ARG_67:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_72:HN        1:ASP_71:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:PHE_72:HN        1:ASP_71:HB*       -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:GLY_79:HN        1:ASN_80:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_80:HN        1:VAL_81:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:VAL_81:HN        1:ASN_80:HB1       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:VAL_81:HN        1:ASN_80:HA        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:VAL_81:HN        1:ASN_80:HB2       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_82:HN        1:ALA_83:HN        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_82:HN        1:VAL_81:HA        -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_82:HN        1:VAL_81:HB*       -1.000  7.000  6.000 40.00 40.00 1000.000  0.00
1:LEU_82:HN        1:VAL_81:HG*       -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:ALA_83:HN        1:VAL_81:HA        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:HISD_84:HN       1:ALA_83:HN        -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:HISD_84:HN       1:ALA_83:HB*      -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:HISD_84:HN       1:ALA_83:HB*      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_91:HN        1:ILE_92:HN        -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:ILE_92:HN        1:ASN_93:HN        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ILE_92:HN        1:GLY_91:HA1       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ILE_92:HN        1:GLY_91:HA2       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ASN_93:HN        1:ILE_92:HN        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_93:HN        1:ILE_92:HG*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ASN_93:HN        1:ILE_92:HD*       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:HIS_97:HN        1:ALA_96:HA        -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_98:HN        1:HIS_97:HA        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ASP_99:HN        1:PHE_98:HA        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ASP_99:HN        1:PHE_98:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_100:HN       1:ASP_101:HN       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ASP_101:HN       1:ASP_100:HA       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:ASP_101:HN       1:PHE_98:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_101:HN       1:GLU_102:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:GLU_102:HN       1:ASP_100:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLU_102:HN       1:ASP_99:HB*       -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:GLU_102:HN       1:GLN_103:HN       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:GLN_103:HN       1:GLU_102:HA       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:GLN_103:HN       1:GLU_102:HG*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:GLN_103:HN       1:GLU_102:HB*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:GLN_103:HN       1:TRP_104:HN       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:TRP_104:HN       1:GLN_103:HA       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:TRP_104:HN       1:GLN_103:HB*     -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:TRP_104:HN       1:GLN_103:HB*     -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:THR_105:HN       1:TRP_104:HA       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:THR_105:HN       1:TRP_104:HB*      -1.000  7.000  6.000 40.00 40.00 1000.000  0.00
1:LYS_106:HN       1:THR_105:HA       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:LYS_106:HN       1:THR_105:HG*      -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:LYS_106:HN       1:ASP_107:HN       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:THR_108:HN       1:ASP_107:HN       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_107:HN       1:LYS_106:HE1      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_107:HN       1:LYS_106:HE2      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_107:HN       1:LYS_106:HB1      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_107:HN       1:LYS_106:HB2      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ASP_107:HN       1:THR_105:HG*      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:THR_109:HN       1:GLY_110:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:THR_109:HN       1:LYS_106:HE1      -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:THR_111:HN       1:GLY_110:HA*      -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:THR_111:HN       1:LYS_106:HE1      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_110:HN       1:THR_109:HB*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_113:HN       1:PHE_114:HN       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:PHE_114:HN       1:LEU_115:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:PHE_114:HN       1:LEU_113:HB*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_115:HN       1:PHE_114:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_115:HN       1:PHE_114:HB1      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:LEU_115:HN       1:PHE_114:HB2      -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_127:HN       1:LEU_125:HB*      -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:ASN_132:HN       1:ALA_131:HN       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:THR_133:HN       1:GLU_134:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:GLU_134:HN       1:ALA_135:HN       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_135:HN       1:GLU_134:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ALA_135:HN       1:GLU_134:HG*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_136:HN       1:THR_133:HN       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_144:HN       1:SER_143:HB*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_146:HN       1:THR_145:HB*      -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:ASP_146:HN       1:THR_145:HA       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_147:HN       1:ASP_146:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:THR_148:HN       1:LEU_147:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:THR_148:HN       1:LEU_147:HB*      -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:THR_148:HN       1:ARG_149:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ARG_149:HN       1:THR_148:HN       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_150:HN       1:ARG_149:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:PHE_150:HN       1:ARG_151:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:PHE_150:HN       1:ARG_149:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_150:HN       1:ARG_149:HB*      -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:PHE_150:HN       1:LEU_147:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_151:HN       1:PHE_150:HA       -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:ARG_151:HN       1:PHE_150:HB1      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ARG_151:HN       1:PHE_150:HB2      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:ASP_155:HN       1:ILE_157:HN       -1.000  6.000  6.000 40.00 40.00 1000.000  0.00
1:GLN_154:HN       1:ASP_155:HN       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLN_154:HN       1:SER_153:HA       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ASP_156:HN       1:ASP_155:HB1      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:ASP_156:HN       1:ASP_155:HB2      -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLY_159:HN       1:ASN_158:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:LEU_163:HN       1:SER_162:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:GLN_161:HN       1:ILE_160:HB*      -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:SER_162:HN       1:ILE_160:HB*      -1.000  5.000  4.000 40.00 40.00 1000.000  0.00
1:LEU_163:HN       1:ILE_160:HB*      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:LEU_163:HN       1:GLN_161:HB1      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:LEU_163:HN       1:GLN_161:HB2      -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:VAL_81:HN        1:ASN_80:HD*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:LYS_40:HN        1:LEU_39:HD*       -1.000  6.400  4.000 40.00 40.00 1000.000  0.00
1:PHE_50:HN        1:LEU_39:HD*       -1.000  7.400  5.000 40.00 40.00 1000.000  0.00
1:TYR_164:HH       1:TRP_10:HN        -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:TYR_164:HH       1:TRP_10:HD1       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:THIA_174:H3*     1:ALA_87:HB*       -1.000  5.000  3.000 40.00 40.00 1000.000  0.00
1:THIA_174:C5      1:TYR_86:HA        -1.000  6.000  4.000 40.00 40.00 1000.000  0.00
1:THIA_174:C5      1:TYR_73:HB*       -1.000  8.000  5.000 40.00 40.00 1000.000  0.00
1:THIA_174:C5      1:HISD_84:HB*      -1.000  8.000  5.000 40.00 40.00 1000.000  0.00
1:THIA_174:C8      1:HISD_84:HA       -1.000  6.000  4.000 40.00 40.00 1000.000  0.00
1:THIA_174:C8      1:TYR_73:HB*       -1.000  8.000  5.000 40.00 40.00 1000.000  0.00
1:THIA_174:C8      1:HISD_84:HB*      -1.000  7.000  4.000 40.00 40.00 1000.000  0.00
1:THIA_174:H8      1:HISD_84:HA       -1.000  5.000  5.000 40.00 40.00 1000.000  0.00
1:THIA_174:H8      1:TYR_73:HB*       -1.000  6.000  5.000 40.00 40.00 1000.000  0.00
1:HISD_69:HN       1:WTR_175:H1*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ASP_71:HN        1:WTR_175:H1*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:PHE_72:HN        1:WTR_175:H1*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:TYR_73:HN        1:WTR_175:H1*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ARG_67:HN        1:WTR_176:H1*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:PHE_98:HA        1:ALA_83:HB*       -1.000  4.000  3.000 40.00 40.00 1000.000  0.00   
1:PHE_98:HA        1:ASP_101:HB*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:HISD_84:HA       1:ALA_83:HB*       -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_85:HA        1:TYR_86:HN        -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_85:HA        1:ALA_83:HN        -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:PHE_114:HA       1:ALA_117:HB*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:LEU_115:HA       1:ALA_118:HN       -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:ALA_118:HA       1:ILE_121:HB*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:HISD_119:HA      1:GLY_122:HA*      -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:HISD_119:HA      1:GLY_122:HA*     -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
1:GLU_120:HA       1:HISD_123:HN      -1.000  3.000  3.000 40.00 40.00 1000.000  0.00
1:GLY_122:HA*      1:LEU_125:HB*      -1.000  4.000  3.000 40.00 40.00 1000.000  0.00
1:SER_124:HA       1:GLY_126:HN       -1.000  4.000  4.000 40.00 40.00 1000.000  0.00
!
#mixing_times
-9.990000E+02 
!
#NMR_dihedral
1:PRO_47:C         1:LEU_48:N         1:LEU_48:CA        1:LEU_48:C         -170.000 -80.000 40.00 40.00 1000.000
1:LEU_48:C         1:THR_49:N         1:THR_49:CA        1:THR_49:C         -170.000 -80.000 40.00 40.00 1000.000
1:THR_49:C         1:PHE_50:N         1:PHE_50:CA        1:PHE_50:C         -170.000 -80.000 40.00 40.00 1000.000
1:PHE_50:C         1:SER_51:N         1:SER_51:CA        1:SER_51:C         -170.000 -80.000 40.00 40.00 1000.000
1:SER_51:C         1:ARG_52:N         1:ARG_52:CA        1:ARG_52:C         -170.000 -80.000 40.00 40.00 1000.000
1:ARG_52:C         1:LEU_53:N         1:LEU_53:CA        1:LEU_53:C         -170.000 -80.000 40.00 40.00 1000.000
1:LEU_53:C         1:TYR_54:N         1:TYR_54:CA        1:TYR_54:C         -170.000 -80.000 40.00 40.00 1000.000
1:LYS_12:C         1:THR_13:N         1:THR_13:CA        1:THR_13:C         -170.000 -80.000 40.00 40.00 1000.000
1:THR_13:C         1:HISD_14:N         1:HISD_14:CA        1:HISD_14:C         -170.000 -80.000 40.00 40.00 1000.000
1:HISD_14:C         1:LEU_15:N         1:LEU_15:CA        1:LEU_15:C         -170.000 -80.000 40.00 40.00 1000.000
1:LEU_15:C         1:THR_16:N         1:THR_16:CA        1:THR_16:C         -170.000 -80.000 40.00 40.00 1000.000
1:THR_16:C         1:TYR_17:N         1:TYR_17:CA        1:TYR_17:C         -170.000 -80.000 40.00 40.00 1000.000
1:TYR_17:C         1:ARG_18:N         1:ARG_18:CA        1:ARG_18:C         -170.000 -80.000 40.00 40.00 1000.000
1:ARG_18:C         1:ILE_19:N         1:ILE_19:CA        1:ILE_19:C         -170.000 -80.000 40.00 40.00 1000.000
1:ASP_59:C         1:ILE_60:N         1:ILE_60:CA        1:ILE_60:C         -170.000 -80.000 40.00 40.00 1000.000
1:ILE_60:C         1:MET_61:N         1:MET_61:CA        1:MET_61:C         -170.000 -80.000 40.00 40.00 1000.000
1:MET_61:C         1:ILE_62:N         1:ILE_62:CA        1:ILE_62:C         -170.000 -80.000 40.00 40.00 1000.000
1:ILE_62:C         1:SER_63:N         1:SER_63:CA        1:SER_63:C         -170.000 -80.000 40.00 40.00 1000.000
1:SER_63:C         1:PHE_64:N         1:PHE_64:CA        1:PHE_64:C         -170.000 -80.000 40.00 40.00 1000.000
1:PHE_64:C         1:ALA_65:N         1:ALA_65:CA        1:ALA_65:C         -170.000 -80.000 40.00 40.00 1000.000
1:ALA_65:C         1:VAL_66:N         1:VAL_66:CA        1:VAL_66:C         -170.000 -80.000 40.00 40.00 1000.000
1:ASN_93:C         1:GLY_94:N         1:GLY_94:CA        1:GLY_94:C         -170.000 -80.000 40.00 40.00 1000.000
1:GLY_94:C         1:ASP_95:N         1:ASP_95:CA        1:ASP_95:C         -170.000 -80.000 40.00 40.00 1000.000
1:ASP_95:C         1:ALA_96:N         1:ALA_96:CA        1:ALA_96:C         -170.000 -80.000 40.00 40.00 1000.000
1:ALA_96:C         1:HIS_97:N         1:HIS_97:CA        1:HIS_97:C         -170.000 -80.000 40.00 40.00 1000.000
1:HIS_97:C         1:PHE_98:N         1:PHE_98:CA        1:PHE_98:C         -170.000 -80.000 40.00 40.00 1000.000
1:ASP_100:C        1:ASP_101:N        1:ASP_101:CA       1:ASP_101:C        -170.000 -80.000 40.00 40.00 1000.000
1:ASP_101:C        1:GLU_102:N        1:GLU_102:CA       1:GLU_102:C        -170.000 -80.000 40.00 40.00 1000.000
1:LEU_82:C         1:ALA_83:N         1:ALA_83:CA        1:ALA_83:C         -170.000 -80.000 40.00 40.00 1000.000
1:ALA_83:C         1:HISD_84:N        1:HISD_84:CA       1:HISD_84:C        -170.000 -80.000 40.00 40.00 1000.000
1:HISD_84:C        1:ALA_85:N         1:ALA_85:CA        1:ALA_85:C         -170.000 -80.000 40.00 40.00 1000.000
1:ALA_85:C         1:TYR_86:N         1:TYR_86:CA        1:TYR_86:C         -170.000 -80.000 40.00 40.00 1000.000
1:TYR_86:C         1:ALA_87:N         1:ALA_87:CA        1:ALA_87:C         -170.000 -80.000 40.00 40.00 1000.000
1:LYS_28:C         1:ASP_29:N         1:ASP_29:CA        1:ASP_29:C         -90.000 -10.000 40.00 40.00 1000.000
1:ASP_29:C         1:ALA_30:N         1:ALA_30:CA        1:ALA_30:C         -90.000 -10.000 40.00 40.00 1000.000
1:ALA_30:C         1:VAL_31:N         1:VAL_31:CA        1:VAL_31:C         -90.000 -10.000 40.00 40.00 1000.000
1:VAL_31:C         1:ASP_32:N         1:ASP_32:CA        1:ASP_32:C         -90.000 -10.000 40.00 40.00 1000.000
1:ASP_32:C         1:SER_33:N         1:SER_33:CA        1:SER_33:C         -90.000 -10.000 40.00 40.00 1000.000
1:SER_33:C         1:ALA_34:N         1:ALA_34:CA        1:ALA_34:C         -90.000 -10.000 40.00 40.00 1000.000
1:ALA_34:C         1:VAL_35:N         1:VAL_35:CA        1:VAL_35:C         -90.000 -10.000 40.00 40.00 1000.000
1:VAL_35:C         1:GLU_36:N         1:GLU_36:CA        1:GLU_36:C         -90.000 -10.000 40.00 40.00 1000.000
1:GLU_36:C         1:LYS_37:N         1:LYS_37:CA        1:LYS_37:C         -90.000 -10.000 40.00 40.00 1000.000
1:LYS_37:C         1:ALA_38:N         1:ALA_38:CA        1:ALA_38:C         -90.000 -10.000 40.00 40.00 1000.000
1:ALA_38:C         1:LEU_39:N         1:LEU_39:CA        1:LEU_39:C         -90.000 -10.000 40.00 40.00 1000.000
1:LEU_39:C         1:LYS_40:N         1:LYS_40:CA        1:LYS_40:C         -90.000 -10.000 40.00 40.00 1000.000
1:LYS_40:C         1:VAL_41:N         1:VAL_41:CA        1:VAL_41:C         -90.000 -10.000 40.00 40.00 1000.000
1:VAL_41:C         1:TRP_42:N         1:TRP_42:CA        1:TRP_42:C         -90.000 -10.000 40.00 40.00 1000.000
1:TRP_42:C         1:GLU_43:N         1:GLU_43:CA        1:GLU_43:C         -90.000 -10.000 40.00 40.00 1000.000
1:GLU_43:C         1:GLU_44:N         1:GLU_44:CA        1:GLU_44:C         -90.000 -10.000 40.00 40.00 1000.000
1:GLU_44:C         1:VAL_45:N         1:VAL_45:CA        1:VAL_45:C         -90.000 -10.000 40.00 40.00 1000.000
1:VAL_45:C         1:THR_46:N         1:THR_46:CA        1:THR_46:C         -90.000 -10.000 40.00 40.00 1000.000
1:PHE_114:C        1:LEU_115:N        1:LEU_115:CA       1:LEU_115:C        -90.000 -10.000 40.00 40.00 1000.000
1:LEU_115:C        1:VAL_116:N        1:VAL_116:CA       1:VAL_116:C        -90.000 -10.000 40.00 40.00 1000.000
1:VAL_116:C        1:ALA_117:N        1:ALA_117:CA       1:ALA_117:C        -90.000 -10.000 40.00 40.00 1000.000
1:ALA_117:C        1:ALA_118:N        1:ALA_118:CA       1:ALA_118:C        -90.000 -10.000 40.00 40.00 1000.000
1:ALA_118:C        1:HISD_119:N       1:HISD_119:CA      1:HISD_119:C       -90.000 -10.000 40.00 40.00 1000.000
1:HISD_119:C       1:GLU_120:N        1:GLU_120:CA       1:GLU_120:C        -90.000 -10.000 40.00 40.00 1000.000
1:GLU_120:C        1:ILE_121:N        1:ILE_121:CA       1:ILE_121:C        -90.000 -10.000 40.00 40.00 1000.000
1:ILE_121:C        1:GLY_122:N        1:GLY_122:CA       1:GLY_122:C        -90.000 -10.000 40.00 40.00 1000.000
1:GLY_122:C        1:HISD_123:N       1:HISD_123:CA      1:HISD_123:C       -90.000 -10.000 40.00 40.00 1000.000
1:HISD_123:C       1:SER_124:N        1:SER_124:CA       1:SER_124:C        -90.000 -10.000 40.00 40.00 1000.000
1:SER_124:C        1:LEU_125:N        1:LEU_125:CA       1:LEU_125:C        -90.000 -10.000 40.00 40.00 1000.000
1:GLN_154:C        1:ASP_155:N        1:ASP_155:CA       1:ASP_155:C        -90.000 -10.000 40.00 40.00 1000.000
1:ASP_155:C        1:ASP_156:N        1:ASP_156:CA       1:ASP_156:C        -90.000 -10.000 40.00 40.00 1000.000
1:ASP_156:C        1:ILE_157:N        1:ILE_157:CA       1:ILE_157:C        -90.000 -10.000 40.00 40.00 1000.000
1:ILE_157:C        1:ASN_158:N        1:ASN_158:CA       1:ASN_158:C        -90.000 -10.000 40.00 40.00 1000.000
1:ASN_158:C        1:GLY_159:N        1:GLY_159:CA       1:GLY_159:C        -90.000 -10.000 40.00 40.00 1000.000
1:GLY_159:C        1:ILE_160:N        1:ILE_160:CA       1:ILE_160:C        -90.000 -10.000 40.00 40.00 1000.000
1:ILE_160:C        1:GLN_161:N        1:GLN_161:CA       1:GLN_161:C        -90.000 -10.000 40.00 40.00 1000.000
1:GLN_161:C        1:SER_162:N        1:SER_162:CA       1:SER_162:C        -90.000 -10.000 40.00 40.00 1000.000
1:SER_162:C        1:LEU_163:N        1:LEU_163:CA       1:LEU_163:C        -90.000 -10.000 40.00 40.00 1000.000
1:LEU_163:C        1:TYR_164:N        1:TYR_164:CA       1:TYR_164:C        -90.000 -10.000 40.00 40.00 1000.000
1:THIA_174:HN       1:THIA_174:N        1:THIA_174:C       1:THIA_174:O       180.000 180.000 40.00 40.00 1000.000
1:THIA_174:HN1      1:THIA_174:N1       1:THIA_174:C       1:THIA_174:O       180.000 180.000 40.00 40.00 1000.000

  Entry H atom name         Submitted Coord H atom name
    1   1H    PHE   1          1H        PHE   1  -4.149 -13.937 -13.937
    2   2H    PHE   1          2H        PHE   1  -4.802 -14.923 -14.923
    3    HA   PHE   1           HA       PHE   1  -4.069 -12.224 -12.224
    4   1HB   PHE   1          2HB       PHE   1  -4.860 -12.564 -12.564
    5   2HB   PHE   1          1HB       PHE   1  -3.914 -13.962 -13.962
    6    HD1  PHE   1           HD2      PHE   1  -5.031 -16.192 -16.192
    7    HD2  PHE   1           HD1      PHE   1  -7.310 -12.723 -12.723
    8    HE1  PHE   1           HE2      PHE   1  -6.997 -17.637 -17.637
    9    HE2  PHE   1           HE1      PHE   1  -9.290 -14.163 -14.163
   10    HZ   PHE   1           HZ       PHE   1  -9.052 -16.626 -16.626
   11    H    ARG   2           H        ARG   2  -5.833 -10.727 -10.727
   12    HA   ARG   2           HA       ARG   2  -8.521 -11.504 -11.504
   13   1HB   ARG   2          2HB       ARG   2  -6.899  -9.310  -9.310
   14   2HB   ARG   2          1HB       ARG   2  -8.546  -9.534  -9.534
   15   1HG   ARG   2          2HG       ARG   2  -8.043 -11.881 -11.881
   16   2HG   ARG   2          1HG       ARG   2  -6.367 -11.532 -11.532
   17   1HD   ARG   2          2HD       ARG   2  -6.608 -11.211 -11.211
   18   2HD   ARG   2          1HD       ARG   2  -6.447  -9.605  -9.605
   19   1HH1  ARG   2          2HH1      ARG   2  -7.868 -12.335 -12.335
   20   2HH1  ARG   2          1HH1      ARG   2  -9.476 -12.576 -12.576
   21   1HH2  ARG   2          1HH2      ARG   2 -10.628  -9.624  -9.624
   22   2HH2  ARG   2          2HH2      ARG   2 -10.976 -11.133 -11.133
   23    H    THR   3           H        THR   3 -10.299 -10.161 -10.161
   24    HA   THR   3           HA       THR   3  -9.586  -8.082  -8.082
   25    HB   THR   3           HB       THR   3 -11.833  -8.701  -8.701
   26    HG1  THR   3           HG1      THR   3 -11.659 -11.266 -11.266
   27   1HG2  THR   3          2HG2      THR   3  -9.730  -9.528  -9.528
   28   2HG2  THR   3          3HG2      THR   3  -9.768 -10.989 -10.989
   29   3HG2  THR   3          1HG2      THR   3 -11.015 -10.671 -10.671
   30    H    PHE   4           H        PHE   4 -10.873  -6.388  -6.388
   31    HA   PHE   4           HA       PHE   4 -11.644  -4.976  -4.976
   32   1HB   PHE   4          2HB       PHE   4 -12.669  -4.401  -4.401
   33   2HB   PHE   4          1HB       PHE   4 -12.676  -3.303  -3.303
   34    HD1  PHE   4           HD1      PHE   4 -10.485  -2.329  -2.329
   35    HD2  PHE   4           HD2      PHE   4 -10.767  -4.606  -4.606
   36    HE1  PHE   4           HE1      PHE   4  -8.307  -1.470  -1.470
   37    HE2  PHE   4           HE2      PHE   4  -8.585  -3.807  -3.807
   38    HZ   PHE   4           HZ       PHE   4  -7.354  -2.157  -2.157
   39    HA   PRO   5           HA       PRO   5 -15.790  -6.544  -6.544
   40   1HB   PRO   5          2HB       PRO   5 -17.237  -4.107  -4.107
   41   2HB   PRO   5          1HB       PRO   5 -16.136  -4.956  -4.956
   42   1HG   PRO   5          2HG       PRO   5 -15.485  -2.648  -2.648
   43   2HG   PRO   5          1HG       PRO   5 -15.156  -2.791  -2.791
   44   1HD   PRO   5          1HD       PRO   5 -13.269  -3.384  -3.384
   45   2HD   PRO   5          2HD       PRO   5 -13.428  -4.437  -4.437
   46    H    GLY   6           H        GLY   6 -17.088  -7.548  -7.548
   47   1HA   GLY   6          2HA       GLY   6 -19.024  -7.658  -7.658
   48   2HA   GLY   6          1HA       GLY   6 -18.623  -6.043  -6.043
   49    H    ILE   7           H        ILE   7 -15.717  -7.296  -7.296
   50    HA   ILE   7           HA       ILE   7 -14.434  -8.254  -8.254
   51    HB   ILE   7           HB       ILE   7 -16.723  -9.903  -9.903
   52   1HG1  ILE   7          2HG1      ILE   7 -14.699 -10.663 -10.663
   53   2HG1  ILE   7          1HG1      ILE   7 -16.438 -10.165 -10.165
   54   1HG2  ILE   7          3HG2      ILE   7 -13.646 -10.223 -10.223
   55   2HG2  ILE   7          1HG2      ILE   7 -14.792 -11.515 -11.515
   56   3HG2  ILE   7          2HG2      ILE   7 -14.909  -9.938  -9.938
   57   1HD1  ILE   7          2HD1      ILE   7 -17.083 -12.120 -12.120
   58   2HD1  ILE   7          3HD1      ILE   7 -15.485 -12.771 -12.771
   59   3HD1  ILE   7          1HD1      ILE   7 -16.245 -12.561 -12.561
   60    HA   PRO   8           HA       PRO   8 -15.977  -5.229  -5.229
   61   1HB   PRO   8          2HB       PRO   8 -14.543  -3.050  -3.050
   62   2HB   PRO   8          1HB       PRO   8 -15.866  -3.466  -3.466
   63   1HG   PRO   8          2HG       PRO   8 -12.899  -4.012  -4.012
   64   2HG   PRO   8          1HG       PRO   8 -13.999  -3.252  -3.252
   65   1HD   PRO   8          1HD       PRO   8 -13.301  -6.042  -6.042
   66   2HD   PRO   8          2HD       PRO   8 -14.912  -5.399  -5.399
   67    H    LYS   9           H        LYS   9 -15.353  -6.031  -6.031
   68    HA   LYS   9           HA       LYS   9 -12.496  -5.993  -5.993
   69   1HB   LYS   9          2HB       LYS   9 -12.468  -8.263  -8.263
   70   2HB   LYS   9          1HB       LYS   9 -13.033  -8.375  -8.375
   71   1HG   LYS   9          2HG       LYS   9 -15.327  -8.556  -8.556
   72   2HG   LYS   9          1HG       LYS   9 -14.825  -8.415  -8.415
   73   1HD   LYS   9          2HD       LYS   9 -13.401 -10.530 -10.530
   74   2HD   LYS   9          1HD       LYS   9 -14.134 -10.664 -10.664
   75   1HE   LYS   9          2HE       LYS   9 -16.482 -10.690 -10.690
   76   2HE   LYS   9          1HE       LYS   9 -15.842 -10.802 -10.802
   77   1HZ   LYS   9          1HZ       LYS   9 -14.498 -12.752 -12.752
   78   2HZ   LYS   9          2HZ       LYS   9 -15.467 -12.652 -12.652
   79    H    TRP  10           H        TRP  10 -12.172  -6.000  -6.000
   80    HA   TRP  10           HA       TRP  10 -14.168  -4.131  -4.131
   81   1HB   TRP  10          2HB       TRP  10 -11.466  -5.188  -5.188
   82   2HB   TRP  10          1HB       TRP  10 -12.535  -4.036  -4.036
   83    HD1  TRP  10           HD1      TRP  10  -9.756  -4.104  -4.104
   84    HE1  TRP  10           HE1      TRP  10  -9.183  -1.664  -1.664
   85    HE3  TRP  10           HE3      TRP  10 -14.011  -1.842  -1.842
   86    HZ2  TRP  10           HZ2      TRP  10 -10.433   0.886   0.886
   87    HZ3  TRP  10           HZ3      TRP  10 -14.428   0.586   0.586
   88    HH2  TRP  10           HH2      TRP  10 -12.636   1.929   1.929
   89    H    ARG  11           H        ARG  11 -15.920  -4.944  -4.944
   90    HA   ARG  11           HA       ARG  11 -15.992  -7.563  -7.563
   91   1HB   ARG  11          2HB       ARG  11 -18.201  -5.493  -5.493
   92   2HB   ARG  11          1HB       ARG  11 -18.315  -6.957  -6.957
   93   1HG   ARG  11          2HG       ARG  11 -17.920  -8.372  -8.372
   94   2HG   ARG  11          1HG       ARG  11 -17.417  -6.903  -6.903
   95   1HD   ARG  11          2HD       ARG  11 -20.157  -7.214  -7.214
   96   2HD   ARG  11          1HD       ARG  11 -19.984  -7.736  -7.736
   97   1HH1  ARG  11          2HH1      ARG  11 -21.802  -6.915  -6.915
   98   2HH1  ARG  11          1HH1      ARG  11 -22.827  -5.495  -5.495
   99   1HH2  ARG  11          1HH2      ARG  11 -20.225  -3.447  -3.447
  100   2HH2  ARG  11          2HH2      ARG  11 -22.045  -3.628  -3.628
  101    H    LYS  12           H        LYS  12 -14.064  -6.684  -6.684
  102    HA   LYS  12           HA       LYS  12 -15.021  -6.533  -6.533
  103   1HB   LYS  12          2HB       LYS  12 -13.908  -4.356  -4.356
  104   2HB   LYS  12          1HB       LYS  12 -15.337  -4.155  -4.155
  105   1HG   LYS  12          2HG       LYS  12 -14.218  -3.682  -3.682
  106   2HG   LYS  12          1HG       LYS  12 -12.635  -3.793  -3.793
  107   1HD   LYS  12          2HD       LYS  12 -12.870  -1.951  -1.951
  108   2HD   LYS  12          1HD       LYS  12 -14.592  -1.841  -1.841
  109   1HE   LYS  12          2HE       LYS  12 -14.213  -1.327  -1.327
  110   2HE   LYS  12          1HE       LYS  12 -12.410  -1.410  -1.410
  111   1HZ   LYS  12          1HZ       LYS  12 -14.101   0.456   0.456
  112   2HZ   LYS  12          2HZ       LYS  12 -12.477   0.394   0.394
  113    H    THR  13           H        THR  13 -13.291  -7.588  -7.588
  114    HA   THR  13           HA       THR  13 -10.872  -8.401  -8.401
  115    HB   THR  13           HB       THR  13 -10.352  -9.521  -9.521
  116    HG1  THR  13           HG1      THR  13 -11.989  -9.707  -9.707
  117   1HG2  THR  13          2HG2      THR  13 -11.236 -10.728 -10.728
  118   2HG2  THR  13          3HG2      THR  13 -12.837 -10.318 -10.318
  119   3HG2  THR  13          1HG2      THR  13 -11.863 -11.344 -11.344
  120    H    HIS  14           H        HIS  14 -11.168  -6.406  -6.406
  121    HA   HIS  14           HA       HIS  14  -8.322  -5.798  -5.798
  122   1HB   HIS  14          2HB       HIS  14  -9.450  -6.285  -6.285
  123   2HB   HIS  14          1HB       HIS  14 -10.671  -5.076  -5.076
  124    HD1  HIS  14           HD1      HIS  14  -9.303  -2.413  -2.413
  125    HD2  HIS  14           HD2      HIS  14  -7.572  -5.781  -5.781
  126    HE1  HIS  14           HE1      HIS  14  -7.589  -1.582  -1.582
  127    H    LEU  15           H        LEU  15  -7.258  -4.026  -4.026
  128    HA   LEU  15           HA       LEU  15  -9.163  -2.038  -2.038
  129   1HB   LEU  15          2HB       LEU  15  -6.661  -2.803  -2.803
  130   2HB   LEU  15          1HB       LEU  15  -7.571  -1.420  -1.420
  131    HG   LEU  15           HG       LEU  15  -8.864  -4.269  -4.269
  132   1HD1  LEU  15          3HD1      LEU  15  -7.434  -2.939  -2.939
  133   2HD1  LEU  15          1HD1      LEU  15  -8.483  -4.307  -4.307
  134   3HD1  LEU  15          2HD1      LEU  15  -7.030  -4.495  -4.495
  135   1HD2  LEU  15          3HD2      LEU  15 -10.497  -2.434  -2.434
  136   2HD2  LEU  15          1HD2      LEU  15 -10.535  -3.490  -3.490
  137   3HD2  LEU  15          2HD2      LEU  15  -9.694  -1.947  -1.947
  138    H    THR  16           H        THR  16  -8.222  -0.196  -0.196
  139    HA   THR  16           HA       THR  16  -7.053   1.594   1.594
  140    HB   THR  16           HB       THR  16  -8.947   3.283   3.283
  141    HG1  THR  16           HG1      THR  16 -10.093   1.215   1.215
  142   1HG2  THR  16          3HG2      THR  16  -9.766   0.531   0.531
  143   2HG2  THR  16          1HG2      THR  16 -10.616   2.079   2.079
  144   3HG2  THR  16          2HG2      THR  16  -8.975   1.834   1.834
  145    H    TYR  17           H        TYR  17  -5.431   2.461   2.461
  146    HA   TYR  17           HA       TYR  17  -6.058   3.610   3.610
  147   1HB   TYR  17          2HB       TYR  17  -3.822   3.379   3.379
  148   2HB   TYR  17          1HB       TYR  17  -4.350   1.861   1.861
  149    HD1  TYR  17           HD1      TYR  17  -3.573   1.403   1.403
  150    HD2  TYR  17           HD2      TYR  17  -1.691   4.108   4.108
  151    HE1  TYR  17           HE1      TYR  17  -1.478   1.099   1.099
  152    HE2  TYR  17           HE2      TYR  17   0.397   3.951   3.951
  153    HH   TYR  17           HH       TYR  17   0.589   1.644   1.644
  154    H    ARG  18           H        ARG  18  -5.061   5.545   5.545
  155    HA   ARG  18           HA       ARG  18  -3.707   7.224   7.224
  156   1HB   ARG  18          2HB       ARG  18  -6.055   7.955   7.955
  157   2HB   ARG  18          1HB       ARG  18  -5.923   8.062   8.062
  158   1HG   ARG  18          2HG       ARG  18  -4.201   9.910   9.910
  159   2HG   ARG  18          1HG       ARG  18  -4.378   9.767   9.767
  160   1HD   ARG  18          2HD       ARG  18  -6.653  10.582  10.582
  161   2HD   ARG  18          1HD       ARG  18  -6.597  10.647  10.647
  162   1HH1  ARG  18          2HH1      ARG  18  -7.779  12.510  12.510
  163   2HH1  ARG  18          1HH1      ARG  18  -7.629  14.297  14.297
  164   1HH2  ARG  18          1HH2      ARG  18  -4.217  14.030  14.030
  165   2HH2  ARG  18          2HH2      ARG  18  -5.678  15.207  15.207
  166    H    ILE  19           H        ILE  19  -1.939   8.317   8.317
  167    HA   ILE  19           HA       ILE  19  -0.912   7.849   7.849
  168    HB   ILE  19           HB       ILE  19   0.627   8.996   8.996
  169   1HG1  ILE  19          2HG1      ILE  19   0.672   6.222   6.222
  170   2HG1  ILE  19          1HG1      ILE  19  -0.194   6.406   6.406
  171   1HG2  ILE  19          2HG2      ILE  19   1.442   9.689   9.689
  172   2HG2  ILE  19          3HG2      ILE  19   1.601   7.999   7.999
  173   3HG2  ILE  19          1HG2      ILE  19   2.650   8.626   8.626
  174   1HD1  ILE  19          3HD1      ILE  19   2.850   6.688   6.688
  175   2HD1  ILE  19          1HD1      ILE  19   2.041   5.204   5.204
  176   3HD1  ILE  19          2HD1      ILE  19   2.017   6.719   6.719
  177    H    VAL  20           H        VAL  20  -1.222   9.603   9.603
  178    HA   VAL  20           HA       VAL  20  -2.249  12.282  12.282
  179    HB   VAL  20           HB       VAL  20  -2.006  11.299  11.299
  180   1HG1  VAL  20          3HG1      VAL  20  -3.418  13.948  13.948
  181   2HG1  VAL  20          1HG1      VAL  20  -3.354  13.431  13.431
  182   3HG1  VAL  20          2HG1      VAL  20  -1.901  13.773  13.773
  183   1HG2  VAL  20          3HG2      VAL  20  -3.764  10.188  10.188
  184   2HG2  VAL  20          1HG2      VAL  20  -4.518  11.406  11.406
  185   3HG2  VAL  20          2HG2      VAL  20  -4.458  11.749  11.749
  186    H    ASN  21           H        ASN  21   0.584  11.758  11.758
  187    HA   ASN  21           HA       ASN  21   2.070  13.688  13.688
  188   1HB   ASN  21          2HB       ASN  21   2.528  15.425  15.425
  189   2HB   ASN  21          1HB       ASN  21   0.905  15.255  15.255
  190   1HD2  ASN  21          1HD2      ASN  21   1.940  14.777  14.777
  191   2HD2  ASN  21          2HD2      ASN  21   3.266  15.137  15.137
  192    H    TYR  22           H        TYR  22   4.285  13.901  13.901
  193    HA   TYR  22           HA       TYR  22   5.516  11.289  11.289
  194   1HB   TYR  22          2HB       TYR  22   6.781  13.684  13.684
  195   2HB   TYR  22          1HB       TYR  22   7.648  12.306  12.306
  196    HD1  TYR  22           HD2      TYR  22   7.025   9.997   9.997
  197    HD2  TYR  22           HD1      TYR  22   5.342  13.470  13.470
  198    HE1  TYR  22           HE2      TYR  22   6.464   8.683   8.683
  199    HE2  TYR  22           HE1      TYR  22   4.809  12.121  12.121
  200    HH   TYR  22           HH       TYR  22   4.969  10.213  10.213
  201    H    THR  23           H        THR  23   6.797  11.184  11.184
  202    HA   THR  23           HA       THR  23   6.800  13.482  13.482
  203    HB   THR  23           HB       THR  23   6.483  11.263  11.263
  204    HG1  THR  23           HG1      THR  23   7.686  11.519  11.519
  205   1HG2  THR  23          2HG2      THR  23   8.037   9.878   9.878
  206   2HG2  THR  23          3HG2      THR  23   9.388  10.360  10.360
  207   3HG2  THR  23          1HG2      THR  23   7.938   9.482   9.482
  208    HA   PRO  24           HA       PRO  24  10.777  15.428  15.428
  209   1HB   PRO  24          2HB       PRO  24  10.971  16.231  16.231
  210   2HB   PRO  24          1HB       PRO  24  11.306  17.195  17.195
  211   1HG   PRO  24          2HG       PRO  24   8.905  17.504  17.504
  212   2HG   PRO  24          1HG       PRO  24   8.801  17.169  17.169
  213   1HD   PRO  24          1HD       PRO  24   8.237  15.153  15.153
  214   2HD   PRO  24          2HD       PRO  24   7.450  15.547  15.547
  215    H    ASP  25           H        ASP  25  10.835  13.176  13.176
  216    HA   ASP  25           HA       ASP  25  13.806  12.869  12.869
  217   1HB   ASP  25          2HB       ASP  25  11.584  10.877  10.877
  218   2HB   ASP  25          1HB       ASP  25  13.126  10.870  10.870
  219    HD2  ASP  25           HD2      ASP  25  10.625  12.704  12.704
  220    H    LEU  26           H        LEU  26  11.713  11.593  11.593
  221    HA   LEU  26           HA       LEU  26  13.926   9.810   9.810
  222   1HB   LEU  26          2HB       LEU  26  10.992   8.872   8.872
  223   2HB   LEU  26          1HB       LEU  26  11.753   8.138   8.138
  224    HG   LEU  26           HG       LEU  26  12.758   8.116   8.116
  225   1HD1  LEU  26          3HD1      LEU  26  11.394   5.997   5.997
  226   2HD1  LEU  26          1HD1      LEU  26  11.932   5.626   5.626
  227   3HD1  LEU  26          2HD1      LEU  26  10.585   6.743   6.743
  228   1HD2  LEU  26          3HD2      LEU  26  14.697   7.736   7.736
  229   2HD2  LEU  26          1HD2      LEU  26  14.298   6.234   6.234
  230   3HD2  LEU  26          2HD2      LEU  26  13.908   6.485   6.485
  231    HA   PRO  27           HA       PRO  27  12.888  11.591  11.591
  232   1HB   PRO  27          2HB       PRO  27  14.216   9.770   9.770
  233   2HB   PRO  27          1HB       PRO  27  15.089  10.838  10.838
  234   1HG   PRO  27          2HG       PRO  27  14.465   7.806   7.806
  235   2HG   PRO  27          1HG       PRO  27  15.973   8.795   8.795
  236   1HD   PRO  27          1HD       PRO  27  14.071   8.116   8.116
  237   2HD   PRO  27          2HD       PRO  27  15.224   9.529   9.529
  238    H    LYS  28           H        LYS  28  11.596  11.173  11.173
  239    HA   LYS  28           HA       LYS  28   9.256   9.791   9.791
  240   1HB   LYS  28          2HB       LYS  28  10.419  10.523  10.523
  241   2HB   LYS  28          1HB       LYS  28   8.719  10.100  10.100
  242   1HG   LYS  28          2HG       LYS  28   8.617  12.036  12.036
  243   2HG   LYS  28          1HG       LYS  28  10.113  12.549  12.549
  244   1HD   LYS  28          2HD       LYS  28   9.144  12.807  12.807
  245   2HD   LYS  28          1HD       LYS  28   7.509  12.198  12.198
  246   1HE   LYS  28          2HE       LYS  28   7.652  14.361  14.361
  247   2HE   LYS  28          1HE       LYS  28   9.162  14.690  14.690
  248   1HZ   LYS  28          1HZ       LYS  28   6.584  14.562  14.562
  249   2HZ   LYS  28          2HZ       LYS  28   7.222  15.886  15.886
  250    H    ASP  29           H        ASP  29  11.857   8.479   8.479
  251    HA   ASP  29           HA       ASP  29  10.398   6.082   6.082
  252   1HB   ASP  29          2HB       ASP  29  13.508   6.527   6.527
  253   2HB   ASP  29          1HB       ASP  29  12.756   5.152   5.152
  254    HD2  ASP  29           HD2      ASP  29  13.470   8.478   8.478
  255    H    ALA  30           H        ALA  30  12.195   6.432   6.432
  256    HA   ALA  30           HA       ALA  30  11.858   3.467   3.467
  257   1HB   ALA  30          2HB       ALA  30  13.802   4.719   4.719
  258   2HB   ALA  30          3HB       ALA  30  12.664   5.576   5.576
  259   3HB   ALA  30          1HB       ALA  30  12.918   3.854   3.854
  260    H    VAL  31           H        VAL  31  10.122   6.203   6.203
  261    HA   VAL  31           HA       VAL  31   8.032   4.862   4.862
  262    HB   VAL  31           HB       VAL  31   7.831   7.404   7.404
  263   1HG1  VAL  31          2HG1      VAL  31   5.503   6.508   6.508
  264   2HG1  VAL  31          3HG1      VAL  31   6.095   6.604   6.604
  265   3HG1  VAL  31          1HG1      VAL  31   5.799   8.061   8.061
  266   1HG2  VAL  31          3HG2      VAL  31   9.473   7.831   7.831
  267   2HG2  VAL  31          1HG2      VAL  31   8.062   8.841   8.841
  268   3HG2  VAL  31          2HG2      VAL  31   8.315   7.346   7.346
  269    H    ASP  32           H        ASP  32   8.228   5.521   5.521
  270    HA   ASP  32           HA       ASP  32   5.569   4.256   4.256
  271   1HB   ASP  32          2HB       ASP  32   7.837   5.121   5.121
  272   2HB   ASP  32          1HB       ASP  32   6.092   4.534   4.534
  273    HD2  ASP  32           HD2      ASP  32   6.402   8.207   8.207
  274    H    SER  33           H        SER  33   9.025   3.218   3.218
  275    HA   SER  33           HA       SER  33   8.644   0.583   0.583
  276   1HB   SER  33          2HB       SER  33  10.703   1.259   1.259
  277   2HB   SER  33          1HB       SER  33  10.806  -0.172  -0.172
  278    HG   SER  33           HG       SER  33  11.051   2.544   2.544
  279    H    ALA  34           H        ALA  34   8.643   1.287   1.287
  280    HA   ALA  34           HA       ALA  34   7.289  -1.417  -1.417
  281   1HB   ALA  34          2HB       ALA  34   8.913  -0.896  -0.896
  282   2HB   ALA  34          3HB       ALA  34   7.870   0.419   0.419
  283   3HB   ALA  34          1HB       ALA  34   7.279  -1.229  -1.229
  284    H    VAL  35           H        VAL  35   5.926   1.715   1.715
  285    HA   VAL  35           HA       VAL  35   3.249   0.883   0.883
  286    HB   VAL  35           HB       VAL  35   4.161   2.903   2.903
  287   1HG1  VAL  35          3HG1      VAL  35   1.184   2.123   2.123
  288   2HG1  VAL  35          1HG1      VAL  35   1.720   3.747   3.747
  289   3HG1  VAL  35          2HG1      VAL  35   2.055   2.259   2.259
  290   1HG2  VAL  35          3HG2      VAL  35   4.298   3.416   3.416
  291   2HG2  VAL  35          1HG2      VAL  35   3.485   4.654   4.654
  292   3HG2  VAL  35          2HG2      VAL  35   2.588   3.337   3.337
  293    H    GLU  36           H        GLU  36   4.775   0.609   0.609
  294    HA   GLU  36           HA       GLU  36   3.135  -1.356  -1.356
  295   1HB   GLU  36          2HB       GLU  36   6.131  -0.694  -0.694
  296   2HB   GLU  36          1HB       GLU  36   5.341  -1.964  -1.964
  297   1HG   GLU  36          2HG       GLU  36   3.716  -0.001  -0.001
  298   2HG   GLU  36          1HG       GLU  36   4.617   1.051   1.051
  299    HE1  GLU  36           HE2      GLU  36   7.258   1.221   1.221
  300    H    LYS  37           H        LYS  37   5.907  -2.014  -2.014
  301    HA   LYS  37           HA       LYS  37   5.585  -4.875  -4.875
  302   1HB   LYS  37          2HB       LYS  37   6.584  -3.316  -3.316
  303   2HB   LYS  37          1HB       LYS  37   6.543  -4.997  -4.997
  304   1HG   LYS  37          2HG       LYS  37   8.122  -5.074  -5.074
  305   2HG   LYS  37          1HG       LYS  37   8.183  -3.300  -3.300
  306   1HD   LYS  37          2HD       LYS  37   9.177  -3.254  -3.254
  307   2HD   LYS  37          1HD       LYS  37   9.383  -5.058  -5.058
  308   1HE   LYS  37          2HE       LYS  37  10.785  -4.708  -4.708
  309   2HE   LYS  37          1HE       LYS  37  10.625  -2.952  -2.952
  310   1HZ   LYS  37          1HZ       LYS  37  12.690  -3.796  -3.796
  311   2HZ   LYS  37          2HZ       LYS  37  11.848  -3.001  -3.001
  312    H    ALA  38           H        ALA  38   3.860  -2.596  -2.596
  313    HA   ALA  38           HA       ALA  38   2.240  -4.785  -4.785
  314   1HB   ALA  38          2HB       ALA  38   2.450  -2.575  -2.575
  315   2HB   ALA  38          3HB       ALA  38   1.241  -1.925  -1.925
  316   3HB   ALA  38          1HB       ALA  38   0.845  -3.363  -3.363
  317    H    LEU  39           H        LEU  39   1.809  -3.055  -3.055
  318    HA   LEU  39           HA       LEU  39  -1.157  -3.368  -3.368
  319   1HB   LEU  39          2HB       LEU  39   1.075  -2.557  -2.557
  320   2HB   LEU  39          1HB       LEU  39  -0.638  -2.619  -2.619
  321    HG   LEU  39           HG       LEU  39   0.622  -0.832  -0.832
  322   1HD1  LEU  39          2HD1      LEU  39   1.397  -0.408  -0.408
  323   2HD1  LEU  39          3HD1      LEU  39  -0.273  -0.148  -0.148
  324   3HD1  LEU  39          1HD1      LEU  39   0.479   0.966   0.966
  325   1HD2  LEU  39          3HD2      LEU  39  -1.931  -1.354  -1.354
  326   2HD2  LEU  39          1HD2      LEU  39  -1.433   0.354   0.354
  327   3HD2  LEU  39          2HD2      LEU  39  -2.121  -0.258  -0.258
  328    H    LYS  40           H        LYS  40   1.866  -4.576  -4.576
  329    HA   LYS  40           HA       LYS  40   0.835  -7.072  -7.072
  330   1HB   LYS  40          2HB       LYS  40   3.240  -6.776  -6.776
  331   2HB   LYS  40          1HB       LYS  40   3.495  -6.140  -6.140
  332   1HG   LYS  40          2HG       LYS  40   3.406  -9.111  -9.111
  333   2HG   LYS  40          1HG       LYS  40   4.675  -8.082  -8.082
  334   1HD   LYS  40          2HD       LYS  40   3.251  -7.837  -7.837
  335   2HD   LYS  40          1HD       LYS  40   2.431  -9.161  -9.161
  336   1HE   LYS  40          2HE       LYS  40   4.307 -10.027 -10.027
  337   2HE   LYS  40          1HE       LYS  40   5.012 -10.371 -10.371
  338   1HZ   LYS  40          1HZ       LYS  40   6.619  -9.264  -9.264
  339   2HZ   LYS  40          2HZ       LYS  40   6.060  -8.310  -8.310
  340    H    VAL  41           H        VAL  41   1.613  -6.096  -6.096
  341    HA   VAL  41           HA       VAL  41   1.656  -8.500  -8.500
  342    HB   VAL  41           HB       VAL  41   0.496  -6.334  -6.334
  343   1HG1  VAL  41          3HG1      VAL  41   0.773  -9.196  -9.196
  344   2HG1  VAL  41          1HG1      VAL  41   0.563  -7.793  -7.793
  345   3HG1  VAL  41          2HG1      VAL  41  -0.802  -8.292  -8.292
  346   1HG2  VAL  41          3HG2      VAL  41   3.120  -6.650  -6.650
  347   2HG2  VAL  41          1HG2      VAL  41   2.643  -6.719  -6.719
  348   3HG2  VAL  41          2HG2      VAL  41   2.931  -8.170  -8.170
  349    H    TRP  42           H        TRP  42  -0.655  -7.023  -7.023
  350    HA   TRP  42           HA       TRP  42  -3.351  -8.549  -8.549
  351   1HB   TRP  42          2HB       TRP  42  -2.917  -5.862  -5.862
  352   2HB   TRP  42          1HB       TRP  42  -4.428  -6.506  -6.506
  353    HD1  TRP  42           HD1      TRP  42  -2.531  -3.942  -3.942
  354    HE1  TRP  42           HE1      TRP  42  -1.546  -3.884  -3.884
  355    HE3  TRP  42           HE3      TRP  42  -4.627  -8.326  -8.326
  356    HZ2  TRP  42           HZ2      TRP  42  -2.091  -5.289  -5.289
  357    HZ3  TRP  42           HZ3      TRP  42  -4.339  -8.923  -8.923
  358    HH2  TRP  42           HH2      TRP  42  -3.062  -7.445  -7.445
  359    H    GLU  43           H        GLU  43  -1.980  -7.624  -7.624
  360    HA   GLU  43           HA       GLU  43  -3.238  -9.522  -9.522
  361   1HB   GLU  43          2HB       GLU  43  -1.623  -7.371  -7.371
  362   2HB   GLU  43          1HB       GLU  43  -0.403  -8.519  -8.519
  363   1HG   GLU  43          2HG       GLU  43  -1.450  -9.754  -9.754
  364   2HG   GLU  43          1HG       GLU  43  -2.765  -8.435  -8.435
  365    HE1  GLU  43           HE2      GLU  43   1.030  -7.771  -7.771
  366    H    GLU  44           H        GLU  44  -0.490 -10.168 -10.168
  367    HA   GLU  44           HA       GLU  44  -0.051 -12.952 -12.952
  368   1HB   GLU  44          2HB       GLU  44   1.427 -11.427 -11.427
  369   2HB   GLU  44          1HB       GLU  44   1.505 -13.117 -13.117
  370   1HG   GLU  44          2HG       GLU  44   2.102 -12.919 -12.919
  371   2HG   GLU  44          1HG       GLU  44   2.488 -11.266 -11.266
  372    HE2  GLU  44           HE2      GLU  44   5.635 -12.263 -12.263
  373    H    VAL  45           H        VAL  45  -1.724 -11.413 -11.413
  374    HA   VAL  45           HA       VAL  45  -2.659 -13.766 -13.766
  375    HB   VAL  45           HB       VAL  45  -4.506 -12.657 -12.657
  376   1HG1  VAL  45          2HG1      VAL  45  -2.276 -11.495 -11.495
  377   2HG1  VAL  45          3HG1      VAL  45  -2.750 -10.403 -10.403
  378   3HG1  VAL  45          1HG1      VAL  45  -3.715 -10.312 -10.312
  379   1HG2  VAL  45          3HG2      VAL  45  -5.308 -10.855 -10.855
  380   2HG2  VAL  45          1HG2      VAL  45  -6.279 -11.601 -11.601
  381   3HG2  VAL  45          2HG2      VAL  45  -5.353 -10.156 -10.156
  382    H    THR  46           H        THR  46  -4.618 -12.177 -12.177
  383    HA   THR  46           HA       THR  46  -5.780 -14.900 -14.900
  384    HB   THR  46           HB       THR  46  -8.082 -14.238 -14.238
  385    HG1  THR  46           HG1      THR  46  -7.087 -11.964 -11.964
  386   1HG2  THR  46          2HG2      THR  46  -6.918 -15.201 -15.201
  387   2HG2  THR  46          3HG2      THR  46  -7.024 -13.645 -13.645
  388   3HG2  THR  46          1HG2      THR  46  -8.454 -14.478 -14.478
  389    HA   PRO  47           HA       PRO  47  -5.292 -12.052 -12.052
  390   1HB   PRO  47          2HB       PRO  47  -7.488 -11.796 -11.796
  391   2HB   PRO  47          1HB       PRO  47  -7.000 -13.470 -13.470
  392   1HG   PRO  47          2HG       PRO  47  -9.210 -11.914 -11.914
  393   2HG   PRO  47          1HG       PRO  47  -9.272 -13.610 -13.610
  394   1HD   PRO  47          1HD       PRO  47  -8.586 -12.851 -12.851
  395   2HD   PRO  47          2HD       PRO  47  -8.034 -14.332 -14.332
  396    H    LEU  48           H        LEU  48  -5.673 -10.331 -10.331
  397    HA   LEU  48           HA       LEU  48  -7.482  -8.165  -8.165
  398   1HB   LEU  48          2HB       LEU  48  -5.521  -8.243  -8.243
  399   2HB   LEU  48          1HB       LEU  48  -6.625  -6.929  -6.929
  400    HG   LEU  48           HG       LEU  48  -7.374  -9.808  -9.808
  401   1HD1  LEU  48          2HD1      LEU  48  -6.456  -8.178  -8.178
  402   2HD1  LEU  48          3HD1      LEU  48  -7.802  -7.080  -7.080
  403   3HD1  LEU  48          1HD1      LEU  48  -8.046  -8.767  -8.767
  404   1HD2  LEU  48          2HD2      LEU  48  -9.115  -7.490  -7.490
  405   2HD2  LEU  48          3HD2      LEU  48  -9.034  -9.163  -9.163
  406   3HD2  LEU  48          1HD2      LEU  48  -9.799  -8.737  -8.737
  407    H    THR  49           H        THR  49  -7.182  -6.931  -6.931
  408    HA   THR  49           HA       THR  49  -4.388  -6.075  -6.075
  409    HB   THR  49           HB       THR  49  -6.628  -5.024  -5.024
  410    HG1  THR  49           HG1      THR  49  -6.350  -7.644  -7.644
  411   1HG2  THR  49          2HG2      THR  49  -4.158  -4.607  -4.607
  412   2HG2  THR  49          3HG2      THR  49  -4.057  -6.383  -6.383
  413   3HG2  THR  49          1HG2      THR  49  -5.129  -5.529  -5.529
  414    H    PHE  50           H        PHE  50  -5.313  -3.486  -3.486
  415    HA   PHE  50           HA       PHE  50  -5.504  -1.523  -1.523
  416   1HB   PHE  50          2HB       PHE  50  -2.620  -2.567  -2.567
  417   2HB   PHE  50          1HB       PHE  50  -2.968  -0.860  -0.860
  418    HD1  PHE  50           HD2      PHE  50  -5.104   0.080   0.080
  419    HD2  PHE  50           HD1      PHE  50  -3.315  -3.790  -3.790
  420    HE1  PHE  50           HE2      PHE  50  -5.855   0.129   0.129
  421    HE2  PHE  50           HE1      PHE  50  -3.920  -3.618  -3.618
  422    HZ   PHE  50           HZ       PHE  50  -5.055  -1.659  -1.659
  423    H    SER  51           H        SER  51  -5.694   0.230   0.230
  424    HA   SER  51           HA       SER  51  -3.912   0.742   0.742
  425   1HB   SER  51          2HB       SER  51  -5.538   1.704   1.704
  426   2HB   SER  51          1HB       SER  51  -6.425   0.358   0.358
  427    HG   SER  51           HG       SER  51  -6.233   2.969   2.969
  428    H    ARG  52           H        ARG  52  -2.503   2.396   2.396
  429    HA   ARG  52           HA       ARG  52  -2.392   4.156   4.156
  430   1HB   ARG  52          2HB       ARG  52  -0.434   3.135   3.135
  431   2HB   ARG  52          1HB       ARG  52  -0.688   4.285   4.285
  432   1HG   ARG  52          2HG       ARG  52  -0.017   6.206   6.206
  433   2HG   ARG  52          1HG       ARG  52  -0.005   5.222   5.222
  434   1HD   ARG  52          2HD       ARG  52   1.875   3.895   3.895
  435   2HD   ARG  52          1HD       ARG  52   1.819   4.746   4.746
  436   1HH1  ARG  52          2HH1      ARG  52   4.157   4.170   4.170
  437   2HH1  ARG  52          1HH1      ARG  52   5.552   5.342   5.342
  438   1HH2  ARG  52          1HH2      ARG  52   3.384   7.621   7.621
  439   2HH2  ARG  52          2HH2      ARG  52   5.177   7.176   7.176
  440    H    LEU  53           H        LEU  53  -3.078   5.934   5.934
  441    HA   LEU  53           HA       LEU  53  -3.849   7.961   7.961
  442   1HB   LEU  53          2HB       LEU  53  -5.502   7.241   7.241
  443   2HB   LEU  53          1HB       LEU  53  -6.012   8.517   8.517
  444    HG   LEU  53           HG       LEU  53  -5.891   5.583   5.583
  445   1HD1  LEU  53          3HD1      LEU  53  -8.277   7.250   7.250
  446   2HD1  LEU  53          1HD1      LEU  53  -8.372   5.693   5.693
  447   3HD1  LEU  53          2HD1      LEU  53  -7.523   5.706   5.706
  448   1HD2  LEU  53          2HD2      LEU  53  -7.051   8.067   8.067
  449   2HD2  LEU  53          3HD2      LEU  53  -5.660   7.024   7.024
  450   3HD2  LEU  53          1HD2      LEU  53  -7.243   6.289   6.289
  451    H    TYR  54           H        TYR  54  -3.863   9.945   9.945
  452    HA   TYR  54           HA       TYR  54  -2.357  11.083  11.083
  453   1HB   TYR  54          2HB       TYR  54  -2.147  12.226  12.226
  454   2HB   TYR  54          1HB       TYR  54  -1.265  12.661  12.661
  455    HD1  TYR  54           HD1      TYR  54   0.272  10.718  10.718
  456    HD2  TYR  54           HD2      TYR  54  -1.333  10.538  10.538
  457    HE1  TYR  54           HE1      TYR  54   1.867   9.019   9.019
  458    HE2  TYR  54           HE2      TYR  54   0.442   8.812   8.812
  459    HH   TYR  54           HH       TYR  54   2.245   7.126   7.126
  460    H    GLU  55           H        GLU  55  -5.228  11.201  11.201
  461    HA   GLU  55           HA       GLU  55  -6.168  13.685  13.685
  462   1HB   GLU  55          2HB       GLU  55  -6.989  13.283  13.283
  463   2HB   GLU  55          1HB       GLU  55  -7.324  14.700  14.700
  464   1HG   GLU  55          2HG       GLU  55  -5.030  15.438  15.438
  465   2HG   GLU  55          1HG       GLU  55  -4.432  14.092  14.092
  466    HE1  GLU  55           HE2      GLU  55  -6.249  17.412  17.412
  467    H    GLY  56           H        GLY  56  -8.637  13.786  13.786
  468   1HA   GLY  56          2HA       GLY  56 -10.829  12.803  12.803
  469   2HA   GLY  56          1HA       GLY  56 -10.312  11.457  11.457
  470    H    GLU  57           H        GLU  57 -11.798  10.351  10.351
  471    HA   GLU  57           HA       GLU  57 -10.995   9.803   9.803
  472   1HB   GLU  57          2HB       GLU  57 -13.190  11.080  11.080
  473   2HB   GLU  57          1HB       GLU  57 -13.857   9.493   9.493
  474   1HG   GLU  57          2HG       GLU  57 -13.426   8.489   8.489
  475   2HG   GLU  57          1HG       GLU  57 -12.734   9.917   9.917
  476    HE2  GLU  57           HE2      GLU  57 -15.765  11.357  11.357
  477    H    ALA  58           H        ALA  58 -10.926   7.697   7.697
  478    HA   ALA  58           HA       ALA  58 -11.856   5.321   5.321
  479   1HB   ALA  58          2HB       ALA  58 -10.055   5.932   5.932
  480   2HB   ALA  58          3HB       ALA  58  -8.796   5.787   5.787
  481   3HB   ALA  58          1HB       ALA  58  -9.586   4.374   4.374
  482    H    ASP  59           H        ASP  59 -12.237   5.018   5.018
  483    HA   ASP  59           HA       ASP  59 -10.871   5.845   5.845
  484   1HB   ASP  59          2HB       ASP  59 -13.149   5.310   5.310
  485   2HB   ASP  59          1HB       ASP  59 -12.904   3.605   3.605
  486    HD2  ASP  59           HD2      ASP  59 -13.355   4.415   4.415
  487    H    ILE  60           H        ILE  60  -9.055   4.867   4.867
  488    HA   ILE  60           HA       ILE  60  -7.417   3.789   3.789
  489    HB   ILE  60           HB       ILE  60  -7.555   1.676   1.676
  490   1HG1  ILE  60          2HG1      ILE  60  -5.438   0.824   0.824
  491   2HG1  ILE  60          1HG1      ILE  60  -5.120   2.294   2.294
  492   1HG2  ILE  60          3HG2      ILE  60  -7.330   2.140   2.140
  493   2HG2  ILE  60          1HG2      ILE  60  -7.436   0.444   0.444
  494   3HG2  ILE  60          2HG2      ILE  60  -8.727   1.564   1.564
  495   1HD1  ILE  60          3HD1      ILE  60  -5.176   2.521   2.521
  496   2HD1  ILE  60          1HD1      ILE  60  -3.790   2.275   2.275
  497   3HD1  ILE  60          2HD1      ILE  60  -4.782   3.760   3.760
  498    H    MET  61           H        MET  61  -7.435   5.681   5.681
  499    HA   MET  61           HA       MET  61  -5.473   7.189   7.189
  500   1HB   MET  61          2HB       MET  61  -7.080   8.494   8.494
  501   2HB   MET  61          1HB       MET  61  -6.235   9.309   9.309
  502   1HG   MET  61          2HG       MET  61  -8.611   7.543   7.543
  503   2HG   MET  61          1HG       MET  61  -8.867   9.076   9.076
  504   1HE   MET  61          3HE       MET  61  -8.305  11.505  11.505
  505   2HE   MET  61          1HE       MET  61  -8.671  11.639  11.639
  506   3HE   MET  61          2HE       MET  61  -9.824  10.810  10.810
  507    H    ILE  62           H        ILE  62  -3.409   6.532   6.532
  508    HA   ILE  62           HA       ILE  62  -2.872   5.782   5.782
  509    HB   ILE  62           HB       ILE  62  -1.077   6.392   6.392
  510   1HG1  ILE  62          2HG1      ILE  62  -2.100   3.577   3.577
  511   2HG1  ILE  62          1HG1      ILE  62  -2.648   4.578   4.578
  512   1HG2  ILE  62          3HG2      ILE  62  -0.445   4.903   4.903
  513   2HG2  ILE  62          1HG2      ILE  62   0.706   4.973   4.973
  514   3HG2  ILE  62          2HG2      ILE  62   0.205   6.420   6.420
  515   1HD1  ILE  62          2HD1      ILE  62  -0.148   4.636   4.636
  516   2HD1  ILE  62          3HD1      ILE  62   0.207   3.352   3.352
  517   3HD1  ILE  62          1HD1      ILE  62  -0.957   3.072   3.072
  518    H    SER  63           H        SER  63  -3.149   7.531   7.531
  519    HA   SER  63           HA       SER  63  -1.107   9.383   9.383
  520   1HB   SER  63          2HB       SER  63  -2.674  11.319  11.319
  521   2HB   SER  63          1HB       SER  63  -3.660  10.104  10.104
  522    HG   SER  63           HG       SER  63  -4.420   9.863   9.863
  523    H    PHE  64           H        PHE  64  -2.343  11.073  11.073
  524    HA   PHE  64           HA       PHE  64  -0.212  11.349  11.349
  525   1HB   PHE  64          2HB       PHE  64   0.264  13.047  13.047
  526   2HB   PHE  64          1HB       PHE  64   1.116  13.384  13.384
  527    HD1  PHE  64           HD1      PHE  64   0.849  10.920  10.920
  528    HD2  PHE  64           HD2      PHE  64   2.938  11.992  11.992
  529    HE1  PHE  64           HE1      PHE  64   2.649   9.351   9.351
  530    HE2  PHE  64           HE2      PHE  64   4.910  10.485  10.485
  531    HZ   PHE  64           HZ       PHE  64   4.667   9.248   9.248
  532    H    ALA  65           H        ALA  65   0.056  12.909  12.909
  533    HA   ALA  65           HA       ALA  65  -1.106  15.604  15.604
  534   1HB   ALA  65          2HB       ALA  65  -3.075  14.313  14.313
  535   2HB   ALA  65          3HB       ALA  65  -2.185  13.665  13.665
  536   3HB   ALA  65          1HB       ALA  65  -2.543  15.405  15.405
  537    H    VAL  66           H        VAL  66   0.419  16.589  16.589
  538    HA   VAL  66           HA       VAL  66   2.451  16.227  16.227
  539    HB   VAL  66           HB       VAL  66   3.556  18.331  18.331
  540   1HG1  VAL  66          2HG1      VAL  66   3.856  16.302  16.302
  541   2HG1  VAL  66          3HG1      VAL  66   2.649  16.980  16.980
  542   3HG1  VAL  66          1HG1      VAL  66   4.171  17.883  17.883
  543   1HG2  VAL  66          3HG2      VAL  66   1.520  19.768  19.768
  544   2HG2  VAL  66          1HG2      VAL  66   2.786  19.904  19.904
  545   3HG2  VAL  66          2HG2      VAL  66   1.253  19.042  19.042
  546    H    ARG  67           H        ARG  67   1.155  15.868  15.868
  547    HA   ARG  67           HA       ARG  67   0.566  16.349  16.349
  548   1HB   ARG  67          2HB       ARG  67   1.021  19.295  19.295
  549   2HB   ARG  67          1HB       ARG  67   0.120  18.855  18.855
  550   1HG   ARG  67          2HG       ARG  67   2.980  17.941  17.941
  551   2HG   ARG  67          1HG       ARG  67   2.532  19.310  19.310
  552   1HD   ARG  67          2HD       ARG  67   1.018  17.696  17.696
  553   2HD   ARG  67          1HD       ARG  67   1.851  16.288  16.288
  554   1HH1  ARG  67          2HH1      ARG  67   1.353  16.642  16.642
  555   2HH1  ARG  67          1HH1      ARG  67   2.357  16.320  16.320
  556   1HH2  ARG  67          1HH2      ARG  67   5.111  17.567  17.567
  557   2HH2  ARG  67          2HH2      ARG  67   4.374  16.971  16.971
  558    H    GLU  68           H        GLU  68  -1.333  18.608  18.608
  559    HA   GLU  68           HA       GLU  68  -3.878  17.027  17.027
  560   1HB   GLU  68          2HB       GLU  68  -3.307  19.926  19.926
  561   2HB   GLU  68          1HB       GLU  68  -4.816  19.684  19.684
  562   1HG   GLU  68          2HG       GLU  68  -3.656  17.849  17.849
  563   2HG   GLU  68          1HG       GLU  68  -4.558  19.244  19.244
  564    HE2  GLU  68           HE2      GLU  68  -7.629  17.712  17.712
  565    H    HIS  69           H        HIS  69  -5.683  17.574  17.574
  566    HA   HIS  69           HA       HIS  69  -5.493  19.543  19.543
  567   1HB   HIS  69          2HB       HIS  69  -5.751  17.965  17.965
  568   2HB   HIS  69          1HB       HIS  69  -4.387  17.467  17.467
  569    HD1  HIS  69           HD1      HIS  69  -4.596  15.262  15.262
  570    HD2  HIS  69           HD2      HIS  69  -7.449  15.935  15.935
  571    HE1  HIS  69           HE1      HIS  69  -5.557  13.103  13.103
  572    H    GLY  70           H        GLY  70  -7.800  17.153  17.153
  573   1HA   GLY  70          2HA       GLY  70  -9.924  18.655  18.655
  574   2HA   GLY  70          1HA       GLY  70 -10.103  19.064  19.064
  575    H    ASP  71           H        ASP  71  -9.782  16.174  16.174
  576    HA   ASP  71           HA       ASP  71 -12.278  15.034  15.034
  577   1HB   ASP  71          2HB       ASP  71 -11.386  12.775  12.775
  578   2HB   ASP  71          1HB       ASP  71 -10.651  14.030  14.030
  579    HD2  ASP  71           HD2      ASP  71  -8.310  11.462  11.462
  580    H    PHE  72           H        PHE  72 -10.059  13.293  13.293
  581    HA   PHE  72           HA       PHE  72 -11.853  13.753  13.753
  582   1HB   PHE  72          2HB       PHE  72 -11.583  10.969  10.969
  583   2HB   PHE  72          1HB       PHE  72 -12.266  11.193  11.193
  584    HD1  PHE  72           HD1      PHE  72 -14.457  12.635  12.635
  585    HD2  PHE  72           HD2      PHE  72 -13.068  10.813  10.813
  586    HE1  PHE  72           HE1      PHE  72 -16.747  12.663  12.663
  587    HE2  PHE  72           HE2      PHE  72 -15.377  10.882  10.882
  588    HZ   PHE  72           HZ       PHE  72 -17.178  11.754  11.754
  589    H    TYR  73           H        TYR  73  -8.987  11.999  11.999
  590    HA   TYR  73           HA       TYR  73  -8.182  11.658  11.658
  591   1HB   TYR  73          2HB       TYR  73  -7.074  10.220  10.220
  592   2HB   TYR  73          1HB       TYR  73  -6.654   9.901   9.901
  593    HD1  TYR  73           HD2      TYR  73  -9.326   9.465   9.465
  594    HD2  TYR  73           HD1      TYR  73  -7.884   8.538   8.538
  595    HE1  TYR  73           HE2      TYR  73 -11.046   7.546   7.546
  596    HE2  TYR  73           HE1      TYR  73  -9.316   6.569   6.569
  597    HH   TYR  73           HH       TYR  73 -11.678   5.760   5.760
  598    HA   PRO  74           HA       PRO  74  -4.901  14.861  14.861
  599   1HB   PRO  74          2HB       PRO  74  -4.631  14.784  14.784
  600   2HB   PRO  74          1HB       PRO  74  -4.682  16.252  16.252
  601   1HG   PRO  74          2HG       PRO  74  -7.003  15.679  15.679
  602   2HG   PRO  74          1HG       PRO  74  -7.133  16.084  16.084
  603   1HD   PRO  74          1HD       PRO  74  -7.054  13.224  13.224
  604   2HD   PRO  74          2HD       PRO  74  -8.222  14.069  14.069
  605    H    PHE  75           H        PHE  75  -2.636  14.904  14.904
  606    HA   PHE  75           HA       PHE  75  -1.443  12.168  12.168
  607   1HB   PHE  75          2HB       PHE  75  -0.436  14.379  14.379
  608   2HB   PHE  75          1HB       PHE  75   0.518  12.985  12.985
  609    HD1  PHE  75           HD1      PHE  75  -0.276  10.592  10.592
  610    HD2  PHE  75           HD2      PHE  75  -2.255  14.094  14.094
  611    HE1  PHE  75           HE1      PHE  75  -1.367   9.239   9.239
  612    HE2  PHE  75           HE2      PHE  75  -3.299  12.729  12.729
  613    HZ   PHE  75           HZ       PHE  75  -2.966  10.383  10.383
  614    H    ASP  76           H        ASP  76   0.340  11.812  11.812
  615    HA   ASP  76           HA       ASP  76   1.230  13.575  13.575
  616   1HB   ASP  76          2HB       ASP  76   2.439  11.651  11.651
  617   2HB   ASP  76          1HB       ASP  76   0.960  11.000  11.000
  618    HD2  ASP  76           HD2      ASP  76   3.883   8.968   8.968
  619    H    GLY  77           H        GLY  77   2.620  12.906  12.906
  620   1HA   GLY  77          2HA       GLY  77   4.620  14.049  14.049
  621   2HA   GLY  77          1HA       GLY  77   5.035  14.600  14.600
  622    HA   PRO  78           HA       PRO  78   7.777  10.934  10.934
  623   1HB   PRO  78          2HB       PRO  78   9.053  11.362  11.362
  624   2HB   PRO  78          1HB       PRO  78   9.845  11.255  11.255
  625   1HG   PRO  78          2HG       PRO  78   9.541  13.742  13.742
  626   2HG   PRO  78          1HG       PRO  78   9.307  13.499  13.499
  627   1HD   PRO  78          1HD       PRO  78   7.117  13.577  13.577
  628   2HD   PRO  78          2HD       PRO  78   7.286  14.535  14.535
  629    H    GLY  79           H        GLY  79   7.890   8.734   8.734
  630   1HA   GLY  79          2HA       GLY  79   7.675   6.748   6.748
  631   2HA   GLY  79          1HA       GLY  79   7.075   7.756   7.756
  632    H    ASN  80           H        ASN  80   5.992   5.282   5.282
  633    HA   ASN  80           HA       ASN  80   3.852   4.050   4.050
  634   1HB   ASN  80          2HB       ASN  80   2.705   6.702   6.702
  635   2HB   ASN  80          1HB       ASN  80   2.033   5.212   5.212
  636   1HD2  ASN  80          1HD2      ASN  80   4.636   6.437   6.437
  637   2HD2  ASN  80          2HD2      ASN  80   4.343   7.539   7.539
  638    H    VAL  81           H        VAL  81   1.893   6.663   6.663
  639    HA   VAL  81           HA       VAL  81   0.434   5.180   5.180
  640    HB   VAL  81           HB       VAL  81   0.655   8.203   8.203
  641   1HG1  VAL  81          3HG1      VAL  81  -1.442   6.497   6.497
  642   2HG1  VAL  81          1HG1      VAL  81  -1.707   8.255   8.255
  643   3HG1  VAL  81          2HG1      VAL  81  -0.398   7.687   7.687
  644   1HG2  VAL  81          2HG2      VAL  81  -1.423   6.227   6.227
  645   2HG2  VAL  81          3HG2      VAL  81  -0.243   7.146   7.146
  646   3HG2  VAL  81          1HG2      VAL  81  -1.549   7.997   7.997
  647    H    LEU  82           H        LEU  82   1.065   4.569   4.569
  648    HA   LEU  82           HA       LEU  82   3.140   5.955   5.955
  649   1HB   LEU  82          2HB       LEU  82   1.374   3.444   3.444
  650   2HB   LEU  82          1HB       LEU  82   2.593   3.896   3.896
  651    HG   LEU  82           HG       LEU  82   3.052   3.109   3.109
  652   1HD1  LEU  82          3HD1      LEU  82   3.519   1.431   1.431
  653   2HD1  LEU  82          1HD1      LEU  82   4.137   0.950   0.950
  654   3HD1  LEU  82          2HD1      LEU  82   2.465   1.100   1.100
  655   1HD2  LEU  82          2HD2      LEU  82   5.257   3.655   3.655
  656   2HD2  LEU  82          3HD2      LEU  82   4.997   4.560   4.560
  657   3HD2  LEU  82          1HD2      LEU  82   5.524   2.824   2.824
  658    H    ALA  83           H        ALA  83  -0.575   5.042   5.042
  659    HA   ALA  83           HA       ALA  83  -0.799   7.882   7.882
  660   1HB   ALA  83          2HB       ALA  83  -0.505   6.045   6.045
  661   2HB   ALA  83          3HB       ALA  83  -1.824   5.148   5.148
  662   3HB   ALA  83          1HB       ALA  83  -2.157   6.686   6.686
  663    H    HIS  84           H        HIS  84  -2.951   7.975   7.975
  664    HA   HIS  84           HA       HIS  84  -4.743   6.145   6.145
  665   1HB   HIS  84          2HB       HIS  84  -6.775   7.427   7.427
  666   2HB   HIS  84          1HB       HIS  84  -6.010   7.720   7.720
  667    HD1  HIS  84           HD1      HIS  84  -5.174  10.365  10.365
  668    HD2  HIS  84           HD2      HIS  84  -6.742   9.415   9.415
  669    HE1  HIS  84           HE1      HIS  84  -5.816  12.498  12.498
  670    H    ALA  85           H        ALA  85  -4.676   4.685   4.685
  671    HA   ALA  85           HA       ALA  85  -3.659   4.584   4.584
  672   1HB   ALA  85          3HB       ALA  85  -3.762   2.174   2.174
  673   2HB   ALA  85          1HB       ALA  85  -3.489   2.061   2.061
  674   3HB   ALA  85          2HB       ALA  85  -2.426   3.118   3.118
  675    H    TYR  86           H        TYR  86  -6.439   4.875   4.875
  676    HA   TYR  86           HA       TYR  86  -8.387   3.387   3.387
  677   1HB   TYR  86          2HB       TYR  86  -8.978   5.247   5.247
  678   2HB   TYR  86          1HB       TYR  86 -10.155   4.633   4.633
  679    HD1  TYR  86           HD2      TYR  86  -9.708   4.900   4.900
  680    HD2  TYR  86           HD1      TYR  86  -8.668   7.540   7.540
  681    HE1  TYR  86           HE2      TYR  86  -9.929   6.930   6.930
  682    HE2  TYR  86           HE1      TYR  86  -8.879   9.465   9.465
  683    HH   TYR  86           HH       TYR  86  -9.884  10.208  10.208
  684    H    ALA  87           H        ALA  87  -9.361   1.823   1.823
  685    HA   ALA  87           HA       ALA  87  -9.051  -0.309  -0.309
  686   1HB   ALA  87          2HB       ALA  87  -9.492  -0.385  -0.385
  687   2HB   ALA  87          3HB       ALA  87 -11.217   0.061   0.061
  688   3HB   ALA  87          1HB       ALA  87 -10.618  -1.488  -1.488
  689    HA   PRO  88           HA       PRO  88 -12.238  -0.398  -0.398
  690   1HB   PRO  88          2HB       PRO  88 -13.352  -3.021  -3.021
  691   2HB   PRO  88          1HB       PRO  88 -12.740  -2.517  -2.517
  692   1HG   PRO  88          2HG       PRO  88 -11.106  -4.070  -4.070
  693   2HG   PRO  88          1HG       PRO  88 -10.564  -2.590  -2.590
  694   1HD   PRO  88          1HD       PRO  88 -11.250  -2.787  -2.787
  695   2HD   PRO  88          2HD       PRO  88  -9.737  -2.195  -2.195
  696    H    GLY  89           H        GLY  89 -13.916   0.613   0.613
  697   1HA   GLY  89          2HA       GLY  89 -16.577   0.523   0.523
  698   2HA   GLY  89          1HA       GLY  89 -15.970   1.332   1.332
  699    HA   PRO  90           HA       PRO  90 -16.689   4.306   4.306
  700   1HB   PRO  90          2HB       PRO  90 -18.763   5.829   5.829
  701   2HB   PRO  90          1HB       PRO  90 -19.068   4.261   4.261
  702   1HG   PRO  90          2HG       PRO  90 -18.860   5.003   5.003
  703   2HG   PRO  90          1HG       PRO  90 -19.878   3.735   3.735
  704   1HD   PRO  90          1HD       PRO  90 -17.544   3.417   3.417
  705   2HD   PRO  90          2HD       PRO  90 -18.280   2.123   2.123
  706    H    GLY  91           H        GLY  91 -15.573   6.209   6.209
  707   1HA   GLY  91          2HA       GLY  91 -14.380   8.160   8.160
  708   2HA   GLY  91          1HA       GLY  91 -15.546   8.592   8.592
  709    H    ILE  92           H        ILE  92 -14.819   8.533   8.533
  710    HA   ILE  92           HA       ILE  92 -11.904   8.626   8.626
  711    HB   ILE  92           HB       ILE  92 -12.198   8.885   8.885
  712   1HG1  ILE  92          2HG1      ILE  92 -13.611   7.194   7.194
  713   2HG1  ILE  92          1HG1      ILE  92 -14.288   8.547   8.547
  714   1HG2  ILE  92          2HG2      ILE  92 -13.059  10.819  10.819
  715   2HG2  ILE  92          3HG2      ILE  92 -14.723  10.322  10.322
  716   3HG2  ILE  92          1HG2      ILE  92 -13.509  10.793  10.793
  717   1HD1  ILE  92          2HD1      ILE  92 -16.061   8.298   8.298
  718   2HD1  ILE  92          3HD1      ILE  92 -15.397   6.724   6.724
  719   3HD1  ILE  92          1HD1      ILE  92 -16.197   7.136   7.136
  720    H    ASN  93           H        ASN  93 -14.125   5.817   5.817
  721    HA   ASN  93           HA       ASN  93 -12.025   3.993   3.993
  722   1HB   ASN  93          2HB       ASN  93 -14.885   3.690   3.690
  723   2HB   ASN  93          1HB       ASN  93 -13.940   2.332   2.332
  724   1HD2  ASN  93          1HD2      ASN  93 -14.003   2.054   2.054
  725   2HD2  ASN  93          2HD2      ASN  93 -13.271   1.524   1.524
  726    H    GLY  94           H        GLY  94 -10.235   3.189   3.189
  727   1HA   GLY  94          2HA       GLY  94 -10.177   1.871   1.871
  728   2HA   GLY  94          1HA       GLY  94 -10.584   3.297   3.297
  729    H    ASP  95           H        ASP  95  -9.036   4.406   4.406
  730    HA   ASP  95           HA       ASP  95  -6.653   5.003   5.003
  731   1HB   ASP  95          2HB       ASP  95  -8.389   7.247   7.247
  732   2HB   ASP  95          1HB       ASP  95  -7.149   7.460   7.460
  733    HD2  ASP  95           HD2      ASP  95 -10.504   7.914   7.914
  734    H    ALA  96           H        ALA  96  -4.946   5.943   5.943
  735    HA   ALA  96           HA       ALA  96  -4.660   6.315   6.315
  736   1HB   ALA  96          2HB       ALA  96  -3.234   4.513   4.513
  737   2HB   ALA  96          3HB       ALA  96  -2.640   5.801   5.801
  738   3HB   ALA  96          1HB       ALA  96  -2.139   5.793   5.793
  739    H    HIS  97           H        HIS  97  -3.088   7.450   7.450
  740    HA   HIS  97           HA       HIS  97  -3.003  10.401  10.401
  741   1HB   HIS  97          2HB       HIS  97  -5.048   9.367   9.367
  742   2HB   HIS  97          1HB       HIS  97  -4.366  10.909  10.909
  743    HD2  HIS  97           HD2      HIS  97  -4.859  12.514  12.514
  744    HE1  HIS  97           HE1      HIS  97  -8.516  10.727  10.727
  745    HE2  HIS  97           HE2      HIS  97  -7.060  12.760  12.760
  746    H    PHE  98           H        PHE  98  -0.788   9.812   9.812
  747    HA   PHE  98           HA       PHE  98   0.421   8.753   8.753
  748   1HB   PHE  98          2HB       PHE  98   1.381  10.378  10.378
  749   2HB   PHE  98          1HB       PHE  98   2.331  10.418  10.418
  750    HD1  PHE  98           HD2      PHE  98   2.862   7.949   7.949
  751    HD2  PHE  98           HD1      PHE  98   1.868   8.519   8.519
  752    HE1  PHE  98           HE2      PHE  98   4.079   5.878   5.878
  753    HE2  PHE  98           HE1      PHE  98   3.254   6.597   6.597
  754    HZ   PHE  98           HZ       PHE  98   4.326   5.336   5.336
  755    H    ASP  99           H        ASP  99   1.729   9.980   9.980
  756    HA   ASP  99           HA       ASP  99   0.690  12.654  12.654
  757   1HB   ASP  99          2HB       ASP  99   1.954  10.210  10.210
  758   2HB   ASP  99          1HB       ASP  99   3.184  11.076  11.076
  759    HD2  ASP  99           HD2      ASP  99   3.700  11.479  11.479
  760    H    ASP 100           H        ASP 100   2.645  14.214  14.214
  761    HA   ASP 100           HA       ASP 100   4.938  13.809  13.809
  762   1HB   ASP 100          2HB       ASP 100   4.454  16.208  16.208
  763   2HB   ASP 100          1HB       ASP 100   4.980  15.999  15.999
  764    HD2  ASP 100           HD2      ASP 100   7.821  17.148  17.148
  765    H    ASP 101           H        ASP 101   4.673  11.885  11.885
  766    HA   ASP 101           HA       ASP 101   5.227  10.938  10.938
  767   1HB   ASP 101          2HB       ASP 101   3.818   9.804   9.804
  768   2HB   ASP 101          1HB       ASP 101   5.123   9.281   9.281
  769    HD1  ASP 101           HD2      ASP 101   3.510   8.008   8.008
  770    H    GLU 102           H        GLU 102   7.275   9.433   9.433
  771    HA   GLU 102           HA       GLU 102   9.538   9.799   9.799
  772   1HB   GLU 102          2HB       GLU 102   9.106   7.154   7.154
  773   2HB   GLU 102          1HB       GLU 102  10.206   7.455   7.455
  774   1HG   GLU 102          2HG       GLU 102   7.228   6.983   6.983
  775   2HG   GLU 102          1HG       GLU 102   8.448   6.157   6.157
  776    HE2  GLU 102           HE2      GLU 102   6.536   9.003   9.003
  777    H    GLN 103           H        GLN 103  11.664   8.837   8.837
  778    HA   GLN 103           HA       GLN 103  12.441  10.600  10.600
  779   1HB   GLN 103          2HB       GLN 103  13.804  10.737  10.737
  780   2HB   GLN 103          1HB       GLN 103  14.082   9.029   9.029
  781   1HG   GLN 103          2HG       GLN 103  16.108  10.327  10.327
  782   2HG   GLN 103          1HG       GLN 103  15.506   9.160   9.160
  783   1HE2  GLN 103          1HE2      GLN 103  15.089  13.203  13.203
  784   2HE2  GLN 103          2HE2      GLN 103  14.955  12.715  12.715
  785    H    TRP 104           H        TRP 104  11.407   9.535   9.535
  786    HA   TRP 104           HA       TRP 104  11.596   6.722   6.722
  787   1HB   TRP 104          2HB       TRP 104  10.776   8.855   8.855
  788   2HB   TRP 104          1HB       TRP 104  10.599   7.156   7.156
  789    HD1  TRP 104           HD1      TRP 104   8.916  10.069  10.069
  790    HE1  TRP 104           HE1      TRP 104   6.938   9.592   9.592
  791    HE3  TRP 104           HE3      TRP 104   9.748   5.043   5.043
  792    HZ2  TRP 104           HZ2      TRP 104   6.086   7.347   7.347
  793    HZ3  TRP 104           HZ3      TRP 104   8.413   3.863   3.863
  794    HH2  TRP 104           HH2      TRP 104   6.720   4.875   4.875
  795    H    THR 105           H        THR 105  12.705   5.227   5.227
  796    HA   THR 105           HA       THR 105  14.971   5.883   5.883
  797    HB   THR 105           HB       THR 105  16.339   4.096   4.096
  798    HG1  THR 105           HG1      THR 105  15.094   3.036   3.036
  799   1HG2  THR 105          2HG2      THR 105  16.855   6.478   6.478
  800   2HG2  THR 105          3HG2      THR 105  15.806   6.693   6.693
  801   3HG2  THR 105          1HG2      THR 105  17.309   5.696   5.696
  802    H    LYS 106           H        LYS 106  15.686   4.229   4.229
  803    HA   LYS 106           HA       LYS 106  13.844   2.092   2.092
  804   1HB   LYS 106          2HB       LYS 106  15.828   2.082   2.082
  805   2HB   LYS 106          1HB       LYS 106  15.176   3.728   3.728
  806   1HG   LYS 106          2HG       LYS 106  17.798   2.777   2.777
  807   2HG   LYS 106          1HG       LYS 106  17.831   3.250   3.250
  808   1HD   LYS 106          2HD       LYS 106  18.049   5.390   5.390
  809   2HD   LYS 106          1HD       LYS 106  16.350   5.536   5.536
  810   1HE   LYS 106          2HE       LYS 106  17.492   6.490   6.490
  811   2HE   LYS 106          1HE       LYS 106  17.115   4.923   4.923
  812   1HZ   LYS 106          1HZ       LYS 106  19.409   4.192   4.192
  813   2HZ   LYS 106          2HZ       LYS 106  19.711   5.622   5.622
  814    H    ASP 107           H        ASP 107  16.595   2.338   2.338
  815    HA   ASP 107           HA       ASP 107  16.625  -0.693  -0.693
  816   1HB   ASP 107          2HB       ASP 107  18.827  -0.568  -0.568
  817   2HB   ASP 107          1HB       ASP 107  18.662   0.313   0.313
  818    HD1  ASP 107           HD2      ASP 107  19.903   2.103   2.103
  819    H    THR 108           H        THR 108  17.310  -1.067  -1.067
  820    HA   THR 108           HA       THR 108  15.165   0.093   0.093
  821    HB   THR 108           HB       THR 108  17.470  -1.872  -1.872
  822    HG1  THR 108           HG1      THR 108  15.747  -3.452  -3.452
  823   1HG2  THR 108          2HG2      THR 108  16.300  -1.185  -1.185
  824   2HG2  THR 108          3HG2      THR 108  14.821  -1.809  -1.809
  825   3HG2  THR 108          1HG2      THR 108  16.137  -2.846  -2.846
  826    H    THR 109           H        THR 109  18.323   1.143   1.143
  827    HA   THR 109           HA       THR 109  19.188   2.075   2.075
  828    HB   THR 109           HB       THR 109  20.308   4.034   4.034
  829    HG1  THR 109           HG1      THR 109  20.417   4.171   4.171
  830   1HG2  THR 109          2HG2      THR 109  21.390   1.870   1.870
  831   2HG2  THR 109          3HG2      THR 109  20.845   1.276   1.276
  832   3HG2  THR 109          1HG2      THR 109  22.051   2.627   2.627
  833    H    GLY 110           H        GLY 110  17.082   4.051   4.051
  834   1HA   GLY 110          2HA       GLY 110  16.512   6.060   6.060
  835   2HA   GLY 110          1HA       GLY 110  16.058   6.254   6.254
  836    H    THR 111           H        THR 111  14.391   4.667   4.667
  837    HA   THR 111           HA       THR 111  12.763   3.201   3.201
  838    HB   THR 111           HB       THR 111  11.189   5.650   5.650
  839    HG1  THR 111           HG1      THR 111  12.860   5.355   5.355
  840   1HG2  THR 111          3HG2      THR 111  10.480   3.516   3.516
  841   2HG2  THR 111          1HG2      THR 111   9.438   4.886   4.886
  842   3HG2  THR 111          2HG2      THR 111   9.748   3.575   3.575
  843    H    ASN 112           H        ASN 112  12.129   1.508   1.508
  844    HA   ASN 112           HA       ASN 112  12.572   1.639   1.639
  845   1HB   ASN 112          2HB       ASN 112  13.236  -0.302  -0.302
  846   2HB   ASN 112          1HB       ASN 112  11.568  -0.594  -0.594
  847   1HD2  ASN 112          1HD2      ASN 112  12.603  -1.341  -1.341
  848   2HD2  ASN 112          2HD2      ASN 112  13.114   0.084   0.084
  849    H    LEU 113           H        LEU 113  11.318   2.423   2.423
  850    HA   LEU 113           HA       LEU 113   8.390   2.785   2.785
  851   1HB   LEU 113          2HB       LEU 113   9.646   4.481   4.481
  852   2HB   LEU 113          1HB       LEU 113   9.868   3.390   3.390
  853    HG   LEU 113           HG       LEU 113   7.461   3.239   3.239
  854   1HD1  LEU 113          3HD1      LEU 113   7.008   5.330   5.330
  855   2HD1  LEU 113          1HD1      LEU 113   5.806   4.933   4.933
  856   3HD1  LEU 113          2HD1      LEU 113   6.365   3.696   3.696
  857   1HD2  LEU 113          3HD2      LEU 113   8.919   4.998   4.998
  858   2HD2  LEU 113          1HD2      LEU 113   7.200   5.397   5.397
  859   3HD2  LEU 113          2HD2      LEU 113   8.424   6.158   6.158
  860    H    PHE 114           H        PHE 114  10.081   0.285   0.285
  861    HA   PHE 114           HA       PHE 114   7.868  -1.048  -1.048
  862   1HB   PHE 114          2HB       PHE 114  10.491  -1.711  -1.711
  863   2HB   PHE 114          1HB       PHE 114  10.103  -2.572  -2.572
  864    HD1  PHE 114           HD1      PHE 114   7.256  -3.256  -3.256
  865    HD2  PHE 114           HD2      PHE 114  11.481  -4.097  -4.097
  866    HE1  PHE 114           HE1      PHE 114   6.963  -5.515  -5.515
  867    HE2  PHE 114           HE2      PHE 114  11.069  -6.269  -6.269
  868    HZ   PHE 114           HZ       PHE 114   8.918  -7.002  -7.002
  869    H    LEU 115           H        LEU 115   9.166  -1.892  -1.892
  870    HA   LEU 115           HA       LEU 115   7.110  -3.695  -3.695
  871   1HB   LEU 115          2HB       LEU 115   9.085  -1.687  -1.687
  872   2HB   LEU 115          1HB       LEU 115   7.855  -2.552  -2.552
  873    HG   LEU 115           HG       LEU 115   9.760  -4.053  -4.053
  874   1HD1  LEU 115          3HD1      LEU 115  10.157  -3.375  -3.375
  875   2HD1  LEU 115          1HD1      LEU 115  11.089  -4.594  -4.594
  876   3HD1  LEU 115          2HD1      LEU 115  11.193  -2.912  -2.912
  877   1HD2  LEU 115          3HD2      LEU 115   7.491  -5.150  -5.150
  878   2HD2  LEU 115          1HD2      LEU 115   9.013  -5.992  -5.992
  879   3HD2  LEU 115          2HD2      LEU 115   8.275  -4.987  -4.987
  880    H    VAL 116           H        VAL 116   7.230  -0.231  -0.231
  881    HA   VAL 116           HA       VAL 116   4.642  -0.088  -0.088
  882    HB   VAL 116           HB       VAL 116   6.422   2.333   2.333
  883   1HG1  VAL 116          3HG1      VAL 116   3.819   2.509   2.509
  884   2HG1  VAL 116          1HG1      VAL 116   4.945   3.855   3.855
  885   3HG1  VAL 116          2HG1      VAL 116   4.211   3.049   3.049
  886   1HG2  VAL 116          2HG2      VAL 116   6.072   0.910   0.910
  887   2HG2  VAL 116          3HG2      VAL 116   7.526   1.150   1.150
  888   3HG2  VAL 116          1HG2      VAL 116   6.682   2.505   2.505
  889    H    ALA 117           H        ALA 117   5.502   0.779   0.779
  890    HA   ALA 117           HA       ALA 117   2.718   1.394   1.394
  891   1HB   ALA 117          3HB       ALA 117   5.180   0.215   0.215
  892   2HB   ALA 117          1HB       ALA 117   3.664   0.760   0.760
  893   3HB   ALA 117          2HB       ALA 117   4.680   1.985   1.985
  894    H    ALA 118           H        ALA 118   4.490  -1.918  -1.918
  895    HA   ALA 118           HA       ALA 118   2.158  -3.321  -3.321
  896   1HB   ALA 118          2HB       ALA 118   4.616  -4.116  -4.116
  897   2HB   ALA 118          3HB       ALA 118   4.342  -4.569  -4.569
  898   3HB   ALA 118          1HB       ALA 118   3.355  -5.338  -5.338
  899    H    HIS 119           H        HIS 119   3.055  -2.588  -2.588
  900    HA   HIS 119           HA       HIS 119   0.660  -4.001  -4.001
  901   1HB   HIS 119          2HB       HIS 119   2.966  -3.731  -3.731
  902   2HB   HIS 119          1HB       HIS 119   2.923  -1.989  -1.989
  903    HD1  HIS 119           HD1      HIS 119   1.801  -4.815  -4.815
  904    HD2  HIS 119           HD2      HIS 119   1.529  -0.589  -0.589
  905    HE1  HIS 119           HE1      HIS 119   0.610  -3.642  -3.642
  906    H    GLU 120           H        GLU 120   1.319  -0.474  -0.474
  907    HA   GLU 120           HA       GLU 120  -1.468   0.178   0.178
  908   1HB   GLU 120          2HB       GLU 120   0.553   1.930   1.930
  909   2HB   GLU 120          1HB       GLU 120  -0.915   2.517   2.517
  910   1HG   GLU 120          2HG       GLU 120   1.389   1.572   1.572
  911   2HG   GLU 120          1HG       GLU 120   0.827   3.184   3.184
  912    HE2  GLU 120           HE2      GLU 120  -1.015   2.715   2.715
  913    H    ILE 121           H        ILE 121  -0.096  -0.338  -0.338
  914    HA   ILE 121           HA       ILE 121  -2.649   0.261   0.261
  915    HB   ILE 121           HB       ILE 121  -0.503  -1.599  -1.599
  916   1HG1  ILE 121          2HG1      ILE 121   0.255   0.916   0.916
  917   2HG1  ILE 121          1HG1      ILE 121   0.157   0.550   0.550
  918   1HG2  ILE 121          2HG2      ILE 121  -2.778  -2.050  -2.050
  919   2HG2  ILE 121          3HG2      ILE 121  -3.012  -0.330  -0.330
  920   3HG2  ILE 121          1HG2      ILE 121  -1.649  -1.165  -1.165
  921   1HD1  ILE 121          3HD1      ILE 121  -1.969   2.118   2.118
  922   2HD1  ILE 121          1HD1      ILE 121  -0.711   2.765   2.765
  923   3HD1  ILE 121          2HD1      ILE 121  -2.003   1.717   1.717
  924    H    GLY 122           H        GLY 122  -1.190  -2.697  -2.697
  925   1HA   GLY 122          2HA       GLY 122  -3.161  -4.692  -4.692
  926   2HA   GLY 122          1HA       GLY 122  -2.135  -4.556  -4.556
  927    H    HIS 123           H        HIS 123  -2.978  -2.315  -2.315
  928    HA   HIS 123           HA       HIS 123  -5.581  -2.832  -2.832
  929   1HB   HIS 123          2HB       HIS 123  -3.772  -0.435  -0.435
  930   2HB   HIS 123          1HB       HIS 123  -5.443  -0.271  -0.271
  931    HD1  HIS 123           HD1      HIS 123  -6.037  -2.216  -2.216
  932    HD2  HIS 123           HD2      HIS 123  -1.988  -1.301  -1.301
  933    HE1  HIS 123           HE1      HIS 123  -4.378  -3.023  -3.023
  934    H    SER 124           H        SER 124  -4.659  -0.520  -0.520
  935    HA   SER 124           HA       SER 124  -7.463   0.241   0.241
  936   1HB   SER 124          2HB       SER 124  -4.897   0.545   0.545
  937   2HB   SER 124          1HB       SER 124  -6.496   0.843   0.843
  938    HG   SER 124           HG       SER 124  -6.768   2.204   2.204
  939    H    LEU 125           H        LEU 125  -5.889  -2.699  -2.699
  940    HA   LEU 125           HA       LEU 125  -8.213  -3.252  -3.252
  941   1HB   LEU 125          2HB       LEU 125  -5.252  -3.882  -3.882
  942   2HB   LEU 125          1HB       LEU 125  -6.061  -5.332  -5.332
  943    HG   LEU 125           HG       LEU 125  -7.508  -3.436  -3.436
  944   1HD1  LEU 125          3HD1      LEU 125  -4.539  -3.335  -3.335
  945   2HD1  LEU 125          1HD1      LEU 125  -5.548  -3.305  -3.305
  946   3HD1  LEU 125          2HD1      LEU 125  -5.780  -2.077  -2.077
  947   1HD2  LEU 125          3HD2      LEU 125  -7.793  -5.905  -5.905
  948   2HD2  LEU 125          1HD2      LEU 125  -7.169  -5.200  -5.200
  949   3HD2  LEU 125          2HD2      LEU 125  -6.127  -6.014  -6.014
  950    H    GLY 126           H        GLY 126  -7.909  -3.865  -3.865
  951   1HA   GLY 126          2HA       GLY 126 -10.186  -5.229  -5.229
  952   2HA   GLY 126          1HA       GLY 126  -9.462  -6.529  -6.529
  953    H    LEU 127           H        LEU 127  -6.813  -6.406  -6.406
  954    HA   LEU 127           HA       LEU 127  -7.437  -8.018  -8.018
  955   1HB   LEU 127          2HB       LEU 127  -4.788  -7.425  -7.425
  956   2HB   LEU 127          1HB       LEU 127  -4.997  -8.428  -8.428
  957    HG   LEU 127           HG       LEU 127  -6.277  -8.957  -8.957
  958   1HD1  LEU 127          2HD1      LEU 127  -3.724  -9.034  -9.034
  959   2HD1  LEU 127          3HD1      LEU 127  -3.792 -10.208 -10.208
  960   3HD1  LEU 127          1HD1      LEU 127  -4.473 -10.623 -10.623
  961   1HD2  LEU 127          2HD2      LEU 127  -5.975 -10.653 -10.653
  962   2HD2  LEU 127          3HD2      LEU 127  -7.500 -10.253 -10.253
  963   3HD2  LEU 127          1HD2      LEU 127  -6.368 -11.347 -11.347
  964    H    PHE 128           H        PHE 128  -7.154  -7.551  -7.551
  965    HA   PHE 128           HA       PHE 128  -6.410  -4.633  -4.633
  966   1HB   PHE 128          2HB       PHE 128  -8.723  -5.339  -5.339
  967   2HB   PHE 128          1HB       PHE 128  -8.148  -6.764  -6.764
  968    HD1  PHE 128           HD1      PHE 128  -7.190  -3.075  -3.075
  969    HD2  PHE 128           HD2      PHE 128  -8.817  -6.634  -6.634
  970    HE1  PHE 128           HE1      PHE 128  -7.455  -1.866  -1.866
  971    HE2  PHE 128           HE2      PHE 128  -9.061  -5.412  -5.412
  972    HZ   PHE 128           HZ       PHE 128  -8.518  -3.025  -3.025
  973    H    HIS 129           H        HIS 129  -6.103  -7.011  -7.011
  974    HA   HIS 129           HA       HIS 129  -3.079  -6.702  -6.702
  975   1HB   HIS 129          2HB       HIS 129  -4.882  -6.263  -6.263
  976   2HB   HIS 129          1HB       HIS 129  -3.186  -6.602  -6.602
  977    HD1  HIS 129           HD1      HIS 129  -5.234  -3.481  -3.481
  978    HD2  HIS 129           HD2      HIS 129  -1.692  -4.831  -4.831
  979    HE1  HIS 129           HE1      HIS 129  -3.707  -1.516  -1.516
  980    H    SER 130           H        SER 130  -2.018  -8.448  -8.448
  981    HA   SER 130           HA       SER 130  -3.125 -11.064 -11.064
  982   1HB   SER 130          2HB       SER 130  -2.274 -10.673 -10.673
  983   2HB   SER 130          1HB       SER 130  -0.593 -10.556 -10.556
  984    HG   SER 130           HG       SER 130  -1.162 -12.701 -12.701
  985    H    ALA 131           H        ALA 131  -2.547 -11.710 -11.710
  986    HA   ALA 131           HA       ALA 131  -0.113 -10.525 -10.525
  987   1HB   ALA 131          2HB       ALA 131  -2.297 -10.931 -10.931
  988   2HB   ALA 131          3HB       ALA 131  -2.082 -12.653 -12.653
  989   3HB   ALA 131          1HB       ALA 131  -0.938 -11.708 -11.708
  990    H    ASN 132           H        ASN 132   1.350 -11.339 -11.339
  991    HA   ASN 132           HA       ASN 132   2.514 -14.127 -14.127
  992   1HB   ASN 132          2HB       ASN 132   0.958 -14.053 -14.053
  993   2HB   ASN 132          1HB       ASN 132   2.194 -13.060 -13.060
  994   1HD2  ASN 132          1HD2      ASN 132   3.021 -16.971 -16.971
  995   2HD2  ASN 132          2HD2      ASN 132   1.719 -16.224 -16.224
  996    H    THR 133           H        THR 133   3.342 -11.193 -11.193
  997    HA   THR 133           HA       THR 133   5.365  -9.766  -9.766
  998    HB   THR 133           HB       THR 133   7.546 -10.607 -10.607
  999    HG1  THR 133           HG1      THR 133   6.148 -13.038 -13.038
 1000   1HG2  THR 133          3HG2      THR 133   5.376 -11.272 -11.272
 1001   2HG2  THR 133          1HG2      THR 133   7.163 -11.036 -11.036
 1002   3HG2  THR 133          2HG2      THR 133   6.109  -9.722  -9.722
 1003    H    GLU 134           H        GLU 134   6.238 -12.986 -12.986
 1004    HA   GLU 134           HA       GLU 134   7.464 -11.538 -11.538
 1005   1HB   GLU 134          2HB       GLU 134   8.125 -13.748 -13.748
 1006   2HB   GLU 134          1HB       GLU 134   8.491 -13.649 -13.649
 1007   1HG   GLU 134          2HG       GLU 134   5.896 -14.997 -14.997
 1008   2HG   GLU 134          1HG       GLU 134   7.403 -15.812 -15.812
 1009    HE1  GLU 134           HE2      GLU 134   6.198 -15.414 -15.414
 1010    H    ALA 135           H        ALA 135   4.143 -12.563 -12.563
 1011    HA   ALA 135           HA       ALA 135   3.475 -12.706 -12.706
 1012   1HB   ALA 135          2HB       ALA 135   2.034 -13.689 -13.689
 1013   2HB   ALA 135          3HB       ALA 135   1.675 -12.092 -12.092
 1014   3HB   ALA 135          1HB       ALA 135   1.201 -12.628 -12.628
 1015    H    LEU 136           H        LEU 136   4.792  -9.950  -9.950
 1016    HA   LEU 136           HA       LEU 136   4.708  -7.756  -7.756
 1017   1HB   LEU 136          2HB       LEU 136   4.563  -8.622  -8.622
 1018   2HB   LEU 136          1HB       LEU 136   2.886  -8.872  -8.872
 1019    HG   LEU 136           HG       LEU 136   2.479  -6.391  -6.391
 1020   1HD1  LEU 136          3HD1      LEU 136   5.558  -6.285  -6.285
 1021   2HD1  LEU 136          1HD1      LEU 136   4.498  -4.927  -4.927
 1022   3HD1  LEU 136          2HD1      LEU 136   4.623  -5.436  -5.436
 1023   1HD2  LEU 136          3HD2      LEU 136   2.372  -7.703  -7.703
 1024   2HD2  LEU 136          1HD2      LEU 136   2.930  -6.014  -6.014
 1025   3HD2  LEU 136          2HD2      LEU 136   4.098  -7.347  -7.347
 1026    H    MET 137           H        MET 137   1.326  -8.836  -8.836
 1027    HA   MET 137           HA       MET 137   0.263  -6.160  -6.160
 1028   1HB   MET 137          2HB       MET 137  -1.161  -8.921  -8.921
 1029   2HB   MET 137          1HB       MET 137  -1.932  -7.374  -7.374
 1030   1HG   MET 137          2HG       MET 137  -0.726  -8.556  -8.556
 1031   2HG   MET 137          1HG       MET 137  -2.358  -8.119  -8.119
 1032   1HE   MET 137          2HE       MET 137  -3.114  -5.667  -5.667
 1033   2HE   MET 137          3HE       MET 137  -1.852  -4.952  -4.952
 1034   3HE   MET 137          1HE       MET 137  -2.269  -4.162  -4.162
 1035    H    TYR 138           H        TYR 138   2.227  -6.842  -6.842
 1036    HA   TYR 138           HA       TYR 138   1.061  -7.578  -7.578
 1037   1HB   TYR 138          2HB       TYR 138   3.361  -8.413  -8.413
 1038   2HB   TYR 138          1HB       TYR 138   3.921  -6.739  -6.739
 1039    HD1  TYR 138           HD1      TYR 138   2.153  -9.268  -9.268
 1040    HD2  TYR 138           HD2      TYR 138   5.116  -6.089  -6.089
 1041    HE1  TYR 138           HE1      TYR 138   2.613  -9.505  -9.505
 1042    HE2  TYR 138           HE2      TYR 138   5.539  -6.379  -6.379
 1043    HH   TYR 138           HH       TYR 138   5.039  -7.538  -7.538
 1044    HA   PRO 139           HA       PRO 139   0.025  -3.155  -3.155
 1045   1HB   PRO 139          2HB       PRO 139   0.862  -3.878  -3.878
 1046   2HB   PRO 139          1HB       PRO 139  -0.602  -2.977  -2.977
 1047   1HG   PRO 139          2HG       PRO 139  -0.814  -5.627  -5.627
 1048   2HG   PRO 139          1HG       PRO 139  -1.726  -5.029  -5.029
 1049   1HD   PRO 139          1HD       PRO 139   0.936  -6.671  -6.671
 1050   2HD   PRO 139          2HD       PRO 139  -0.402  -6.762  -6.762
 1051    H    LEU 140           H        LEU 140   3.277  -4.149  -4.149
 1052    HA   LEU 140           HA       LEU 140   4.103  -1.158  -1.158
 1053   1HB   LEU 140          2HB       LEU 140   5.467  -3.379  -3.379
 1054   2HB   LEU 140          1HB       LEU 140   6.053  -1.772  -1.772
 1055    HG   LEU 140           HG       LEU 140   3.298  -2.488  -2.488
 1056   1HD1  LEU 140          3HD1      LEU 140   5.933  -2.073  -2.073
 1057   2HD1  LEU 140          1HD1      LEU 140   4.324  -2.071  -2.071
 1058   3HD1  LEU 140          2HD1      LEU 140   4.874  -3.548  -3.548
 1059   1HD2  LEU 140          3HD2      LEU 140   3.548  -0.014  -0.014
 1060   2HD2  LEU 140          1HD2      LEU 140   3.282  -0.302  -0.302
 1061   3HD2  LEU 140          2HD2      LEU 140   4.893   0.084   0.084
 1062    H    TYR 141           H        TYR 141   5.675  -0.601  -0.601
 1063    HA   TYR 141           HA       TYR 141   7.121  -2.432  -2.432
 1064   1HB   TYR 141          2HB       TYR 141   6.299  -0.313  -0.313
 1065   2HB   TYR 141          1HB       TYR 141   7.120   0.604   0.604
 1066    HD1  TYR 141           HD2      TYR 141   9.633   0.830   0.830
 1067    HD2  TYR 141           HD1      TYR 141   7.707  -1.038  -1.038
 1068    HE1  TYR 141           HE2      TYR 141  11.649   1.136   1.136
 1069    HE2  TYR 141           HE1      TYR 141   9.737  -0.517  -0.517
 1070    HH   TYR 141           HH       TYR 141  12.695   0.637   0.637
 1071    H    HIS 142           H        HIS 142   8.719  -3.592  -3.592
 1072    HA   HIS 142           HA       HIS 142  10.516  -2.907  -2.907
 1073   1HB   HIS 142          2HB       HIS 142  11.153  -5.280  -5.280
 1074   2HB   HIS 142          1HB       HIS 142   9.519  -4.988  -4.988
 1075    HD1  HIS 142           HD1      HIS 142   7.679  -6.005  -6.005
 1076    HD2  HIS 142           HD2      HIS 142  11.841  -6.832  -6.832
 1077    HE1  HIS 142           HE1      HIS 142   8.049  -8.004  -8.004
 1078    H    SER 143           H        SER 143  12.244  -4.788  -4.788
 1079    HA   SER 143           HA       SER 143  13.698  -2.667  -2.667
 1080   1HB   SER 143          2HB       SER 143  15.061  -3.635  -3.635
 1081   2HB   SER 143          1HB       SER 143  15.947  -2.858  -2.858
 1082    HG   SER 143           HG       SER 143  13.619  -1.574  -1.574
 1083    H    LEU 144           H        LEU 144  13.295  -4.253  -4.253
 1084    HA   LEU 144           HA       LEU 144  14.720  -6.978  -6.978
 1085   1HB   LEU 144          2HB       LEU 144  13.058  -5.757  -5.757
 1086   2HB   LEU 144          1HB       LEU 144  13.914  -7.327  -7.327
 1087    HG   LEU 144           HG       LEU 144  11.539  -6.727  -6.727
 1088   1HD1  LEU 144          2HD1      LEU 144  11.006  -7.022  -7.022
 1089   2HD1  LEU 144          3HD1      LEU 144  11.779  -8.541  -8.541
 1090   3HD1  LEU 144          1HD1      LEU 144  10.332  -8.371  -8.371
 1091   1HD2  LEU 144          3HD2      LEU 144  13.133  -8.323  -8.323
 1092   2HD2  LEU 144          1HD2      LEU 144  11.683  -9.106  -9.106
 1093   3HD2  LEU 144          2HD2      LEU 144  13.144  -9.379  -9.379
 1094    H    THR 145           H        THR 145  16.682  -6.376  -6.376
 1095    HA   THR 145           HA       THR 145  18.307  -4.536  -4.536
 1096    HB   THR 145           HB       THR 145  20.335  -5.802  -5.802
 1097    HG1  THR 145           HG1      THR 145  19.527  -7.394  -7.394
 1098   1HG2  THR 145          2HG2      THR 145  19.218  -4.152  -4.152
 1099   2HG2  THR 145          3HG2      THR 145  18.317  -5.414  -5.414
 1100   3HG2  THR 145          1HG2      THR 145  20.106  -5.456  -5.456
 1101    H    ASP 146           H        ASP 146  17.779  -7.694  -7.694
 1102    HA   ASP 146           HA       ASP 146  19.186  -7.691  -7.691
 1103   1HB   ASP 146          2HB       ASP 146  18.234 -10.202 -10.202
 1104   2HB   ASP 146          1HB       ASP 146  18.914 -10.165 -10.165
 1105    HD2  ASP 146           HD2      ASP 146  21.508  -9.797  -9.797
 1106    H    LEU 147           H        LEU 147  17.523  -6.440  -6.440
 1107    HA   LEU 147           HA       LEU 147  14.662  -7.159  -7.159
 1108   1HB   LEU 147          2HB       LEU 147  16.466  -5.421  -5.421
 1109   2HB   LEU 147          1HB       LEU 147  14.859  -5.719  -5.719
 1110    HG   LEU 147           HG       LEU 147  15.509  -4.564  -4.564
 1111   1HD1  LEU 147          2HD1      LEU 147  16.308  -3.080  -3.080
 1112   2HD1  LEU 147          3HD1      LEU 147  14.672  -2.980  -2.980
 1113   3HD1  LEU 147          1HD1      LEU 147  14.987  -2.357  -2.357
 1114   1HD2  LEU 147          2HD2      LEU 147  12.814  -4.537  -4.537
 1115   2HD2  LEU 147          3HD2      LEU 147  13.100  -5.471  -5.471
 1116   3HD2  LEU 147          1HD2      LEU 147  13.095  -3.733  -3.733
 1117    H    THR 148           H        THR 148  17.178  -8.786  -8.786
 1118    HA   THR 148           HA       THR 148  15.470  -9.911  -9.911
 1119    HB   THR 148           HB       THR 148  17.210 -11.639 -11.639
 1120    HG1  THR 148           HG1      THR 148  19.202 -11.211 -11.211
 1121   1HG2  THR 148          2HG2      THR 148  17.501  -9.364  -9.364
 1122   2HG2  THR 148          3HG2      THR 148  18.351  -8.738  -8.738
 1123   3HG2  THR 148          1HG2      THR 148  19.119 -10.050 -10.050
 1124    H    ARG 149           H        ARG 149  15.814 -10.772 -10.772
 1125    HA   ARG 149           HA       ARG 149  14.334 -13.452 -13.452
 1126   1HB   ARG 149          2HB       ARG 149  14.899 -11.549 -11.549
 1127   2HB   ARG 149          1HB       ARG 149  14.337 -13.178 -13.178
 1128   1HG   ARG 149          2HG       ARG 149  17.141 -12.338 -12.338
 1129   2HG   ARG 149          1HG       ARG 149  16.769 -12.795 -12.795
 1130   1HD   ARG 149          2HD       ARG 149  17.488 -14.877 -14.877
 1131   2HD   ARG 149          1HD       ARG 149  15.809 -15.139 -15.139
 1132   1HH1  ARG 149          2HH1      ARG 149  19.070 -14.052 -14.052
 1133   2HH1  ARG 149          1HH1      ARG 149  20.084 -14.095 -14.095
 1134   1HH2  ARG 149          1HH2      ARG 149  17.284 -15.097 -15.097
 1135   2HH2  ARG 149          2HH2      ARG 149  19.074 -14.677 -14.677
 1136    H    PHE 150           H        PHE 150  13.143 -10.395 -10.395
 1137    HA   PHE 150           HA       PHE 150  10.710 -10.508 -10.508
 1138   1HB   PHE 150          2HB       PHE 150  11.693  -8.384  -8.384
 1139   2HB   PHE 150          1HB       PHE 150  11.630  -8.498  -8.498
 1140    HD1  PHE 150           HD1      PHE 150   8.610  -9.287  -9.287
 1141    HD2  PHE 150           HD2      PHE 150  10.497  -6.508  -6.508
 1142    HE1  PHE 150           HE1      PHE 150   6.493  -8.126  -8.126
 1143    HE2  PHE 150           HE2      PHE 150   8.290  -5.345  -5.345
 1144    HZ   PHE 150           HZ       PHE 150   6.335  -6.222  -6.222
 1145    H    ARG 151           H        ARG 151   9.735 -12.324 -12.324
 1146    HA   ARG 151           HA       ARG 151   8.321 -12.559 -12.559
 1147   1HB   ARG 151          2HB       ARG 151   8.357 -14.961 -14.961
 1148   2HB   ARG 151          1HB       ARG 151   9.938 -14.339 -14.339
 1149   1HG   ARG 151          2HG       ARG 151  10.136 -14.543 -14.543
 1150   2HG   ARG 151          1HG       ARG 151   8.565 -15.276 -15.276
 1151   1HD   ARG 151          2HD       ARG 151   9.299 -17.181 -17.181
 1152   2HD   ARG 151          1HD       ARG 151  10.961 -16.540 -16.540
 1153   1HH1  ARG 151          2HH1      ARG 151  10.783 -18.974 -18.974
 1154   2HH1  ARG 151          1HH1      ARG 151  10.905 -20.377 -20.377
 1155   1HH2  ARG 151          1HH2      ARG 151  10.116 -18.238 -18.238
 1156   2HH2  ARG 151          2HH2      ARG 151  10.772 -19.942 -19.942
 1157    H    LEU 152           H        LEU 152   6.137 -13.146 -13.146
 1158    HA   LEU 152           HA       LEU 152   4.507 -12.374 -12.374
 1159   1HB   LEU 152          2HB       LEU 152   3.629 -13.403 -13.403
 1160   2HB   LEU 152          1HB       LEU 152   2.557 -13.010 -13.010
 1161    HG   LEU 152           HG       LEU 152   4.482 -10.998 -10.998
 1162   1HD1  LEU 152          3HD1      LEU 152   1.495 -11.404 -11.404
 1163   2HD1  LEU 152          1HD1      LEU 152   2.489 -10.124 -10.124
 1164   3HD1  LEU 152          2HD1      LEU 152   2.800 -11.813 -11.813
 1165   1HD2  LEU 152          2HD2      LEU 152   2.240 -10.373 -10.373
 1166   2HD2  LEU 152          3HD2      LEU 152   3.976 -10.263 -10.263
 1167   3HD2  LEU 152          1HD2      LEU 152   3.210  -9.188  -9.188
 1168    H    SER 153           H        SER 153   4.093 -13.698 -13.698
 1169    HA   SER 153           HA       SER 153   4.751 -16.527 -16.527
 1170   1HB   SER 153          2HB       SER 153   4.097 -16.711 -16.711
 1171   2HB   SER 153          1HB       SER 153   4.791 -15.151 -15.151
 1172    HG   SER 153           HG       SER 153   2.793 -15.376 -15.376
 1173    H    GLN 154           H        GLN 154   3.411 -18.318 -18.318
 1174    HA   GLN 154           HA       GLN 154   1.385 -18.819 -18.819
 1175   1HB   GLN 154          2HB       GLN 154   2.963 -20.570 -20.570
 1176   2HB   GLN 154          1HB       GLN 154   1.824 -20.575 -20.575
 1177   1HG   GLN 154          2HG       GLN 154   1.162 -22.416 -22.416
 1178   2HG   GLN 154          1HG       GLN 154  -0.102 -21.176 -21.176
 1179   1HE2  GLN 154          1HE2      GLN 154   0.414 -21.524 -21.524
 1180   2HE2  GLN 154          2HE2      GLN 154  -0.772 -21.286 -21.286
 1181    H    ASP 155           H        ASP 155   0.937 -17.855 -17.855
 1182    HA   ASP 155           HA       ASP 155  -1.888 -18.323 -18.323
 1183   1HB   ASP 155          2HB       ASP 155  -0.153 -17.775 -17.775
 1184   2HB   ASP 155          1HB       ASP 155   0.050 -16.132 -16.132
 1185    HD2  ASP 155           HD2      ASP 155  -2.318 -14.834 -14.834
 1186    H    ASP 156           H        ASP 156  -0.416 -15.323 -15.323
 1187    HA   ASP 156           HA       ASP 156  -2.933 -14.035 -14.035
 1188   1HB   ASP 156          2HB       ASP 156  -0.133 -13.639 -13.639
 1189   2HB   ASP 156          1HB       ASP 156  -1.516 -12.581 -12.581
 1190    HD2  ASP 156           HD2      ASP 156   0.953 -11.158 -11.158
 1191    H    ILE 157           H        ILE 157  -0.571 -15.987 -15.987
 1192    HA   ILE 157           HA       ILE 157  -2.210 -15.877 -15.877
 1193    HB   ILE 157           HB       ILE 157  -0.263 -18.106 -18.106
 1194   1HG1  ILE 157          2HG1      ILE 157   0.345 -15.965 -15.965
 1195   2HG1  ILE 157          1HG1      ILE 157   0.598 -15.524 -15.524
 1196   1HG2  ILE 157          3HG2      ILE 157  -1.305 -17.521 -17.521
 1197   2HG2  ILE 157          1HG2      ILE 157  -0.031 -18.698 -18.698
 1198   3HG2  ILE 157          2HG2      ILE 157  -1.651 -18.944 -18.944
 1199   1HD1  ILE 157          2HD1      ILE 157   2.169 -17.308 -17.308
 1200   2HD1  ILE 157          3HD1      ILE 157   2.108 -17.787 -17.787
 1201   3HD1  ILE 157          1HD1      ILE 157   2.777 -16.277 -16.277
 1202    H    ASN 158           H        ASN 158  -2.338 -18.461 -18.461
 1203    HA   ASN 158           HA       ASN 158  -4.631 -19.938 -19.938
 1204   1HB   ASN 158          2HB       ASN 158  -3.877 -19.463 -19.463
 1205   2HB   ASN 158          1HB       ASN 158  -5.105 -20.649 -20.649
 1206   1HD2  ASN 158          1HD2      ASN 158  -2.350 -22.813 -22.813
 1207   2HD2  ASN 158          2HD2      ASN 158  -3.423 -21.878 -21.878
 1208    H    GLY 159           H        GLY 159  -4.684 -17.337 -17.337
 1209   1HA   GLY 159          2HA       GLY 159  -7.607 -17.146 -17.146
 1210   2HA   GLY 159          1HA       GLY 159  -6.644 -15.749 -15.749
 1211    H    ILE 160           H        ILE 160  -5.517 -15.022 -15.022
 1212    HA   ILE 160           HA       ILE 160  -8.089 -14.179 -14.179
 1213    HB   ILE 160           HB       ILE 160  -6.955 -12.753 -12.753
 1214   1HG1  ILE 160          2HG1      ILE 160  -6.162 -12.329 -12.329
 1215   2HG1  ILE 160          1HG1      ILE 160  -7.862 -12.257 -12.257
 1216   1HG2  ILE 160          3HG2      ILE 160  -4.352 -13.781 -13.781
 1217   2HG2  ILE 160          1HG2      ILE 160  -4.347 -12.018 -12.018
 1218   3HG2  ILE 160          2HG2      ILE 160  -4.353 -12.984 -12.984
 1219   1HD1  ILE 160          3HD1      ILE 160  -5.876 -10.382 -10.382
 1220   2HD1  ILE 160          1HD1      ILE 160  -6.746  -9.985  -9.985
 1221   3HD1  ILE 160          2HD1      ILE 160  -7.655 -10.389 -10.389
 1222    H    GLN 161           H        GLN 161  -6.087 -16.604 -16.604
 1223    HA   GLN 161           HA       GLN 161  -7.150 -17.164 -17.164
 1224   1HB   GLN 161          2HB       GLN 161  -6.078 -18.608 -18.608
 1225   2HB   GLN 161          1HB       GLN 161  -7.125 -19.533 -19.533
 1226   1HG   GLN 161          2HG       GLN 161  -5.672 -19.325 -19.325
 1227   2HG   GLN 161          1HG       GLN 161  -4.552 -18.257 -18.257
 1228   1HE2  GLN 161          1HE2      GLN 161  -2.747 -21.401 -21.401
 1229   2HE2  GLN 161          2HE2      GLN 161  -2.788 -19.685 -19.685
 1230    H    SER 162           H        SER 162  -8.175 -17.765 -17.765
 1231    HA   SER 162           HA       SER 162 -10.854 -18.881 -18.881
 1232   1HB   SER 162          2HB       SER 162 -11.358 -19.078 -19.078
 1233   2HB   SER 162          1HB       SER 162  -9.695 -19.748 -19.748
 1234    HG   SER 162           HG       SER 162  -9.401 -17.181 -17.181
 1235    H    LEU 163           H        LEU 163  -9.449 -15.917 -15.917
 1236    HA   LEU 163           HA       LEU 163 -12.176 -14.415 -14.415
 1237   1HB   LEU 163          2HB       LEU 163  -9.603 -12.877 -12.877
 1238   2HB   LEU 163          1HB       LEU 163 -11.262 -12.243 -12.243
 1239    HG   LEU 163           HG       LEU 163  -9.591 -13.785 -13.785
 1240   1HD1  LEU 163          2HD1      LEU 163  -8.713 -11.492 -11.492
 1241   2HD1  LEU 163          3HD1      LEU 163 -10.288 -10.794 -10.794
 1242   3HD1  LEU 163          1HD1      LEU 163  -9.439 -11.740 -11.740
 1243   1HD2  LEU 163          2HD2      LEU 163 -12.372 -12.373 -12.373
 1244   2HD2  LEU 163          3HD2      LEU 163 -12.044 -14.038 -14.038
 1245   3HD2  LEU 163          1HD2      LEU 163 -11.559 -12.909 -12.909
 1246    H    TYR 164           H        TYR 164  -9.788 -13.748 -13.748
 1247    HA   TYR 164           HA       TYR 164 -12.190 -13.041 -13.041
 1248   1HB   TYR 164          2HB       TYR 164  -9.119 -12.777 -12.777
 1249   2HB   TYR 164          1HB       TYR 164 -10.218 -12.317 -12.317
 1250    HD1  TYR 164           HD1      TYR 164 -12.259 -10.621 -10.621
 1251    HD2  TYR 164           HD2      TYR 164  -8.241 -10.793 -10.793
 1252    HE1  TYR 164           HE1      TYR 164 -12.393  -8.323  -8.323
 1253    HE2  TYR 164           HE2      TYR 164  -8.432  -8.504  -8.504
 1254    HH   TYR 164           HH       TYR 164  -9.868  -6.829  -6.829
 1255    H    GLY 165           H        GLY 165 -10.240 -16.028 -16.028
 1256   1HA   GLY 165          2HA       GLY 165 -11.123 -18.005 -18.005
 1257   2HA   GLY 165          1HA       GLY 165 -11.492 -17.115 -17.115
 1258    HA   PRO 166           HA       PRO 166  -6.607 -18.238 -18.238
 1259   1HB   PRO 166          2HB       PRO 166  -6.818 -20.839 -20.839
 1260   2HB   PRO 166          1HB       PRO 166  -6.039 -20.406 -20.406
 1261   1HG   PRO 166          2HG       PRO 166  -8.717 -21.593 -21.593
 1262   2HG   PRO 166          1HG       PRO 166  -7.804 -21.445 -21.445
 1263   1HD   PRO 166          1HD       PRO 166 -10.076 -19.980 -19.980
 1264   2HD   PRO 166          2HD       PRO 166  -9.014 -19.524 -19.524
 1265    HA   PRO 167           HA       PRO 167  -5.858 -16.701 -16.701
 1266   1HB   PRO 167          2HB       PRO 167  -3.195 -17.188 -17.188
 1267   2HB   PRO 167          1HB       PRO 167  -3.688 -16.179 -16.179
 1268   1HG   PRO 167          2HG       PRO 167  -2.861 -18.981 -18.981
 1269   2HG   PRO 167          1HG       PRO 167  -2.382 -17.516 -17.516
 1270   1HD   PRO 167          1HD       PRO 167  -4.333 -19.370 -19.370
 1271   2HD   PRO 167          2HD       PRO 167  -4.336 -17.670 -17.670
 1272    HA   PRO 168           HA       PRO 168  -6.485 -20.087 -20.087
 1273   1HB   PRO 168          2HB       PRO 168  -7.213 -18.627 -18.627
 1274   2HB   PRO 168          1HB       PRO 168  -8.261 -18.740 -18.740
 1275   1HG   PRO 168          2HG       PRO 168  -6.565 -16.306 -16.306
 1276   2HG   PRO 168          1HG       PRO 168  -8.204 -16.350 -16.350
 1277   1HD   PRO 168          1HD       PRO 168  -5.667 -16.029 -16.029
 1278   2HD   PRO 168          2HD       PRO 168  -7.220 -16.544 -16.544
 1279    H1   ATT 174           H1       THI 174  -9.076   1.172   1.172
 1280   1H3   ATT 174          1H3       THI 174 -11.406   2.386   2.386
 1281   2H3   ATT 174          2H3       THI 174  -9.935   2.832   2.832
 1282   3H3   ATT 174          3H3       THI 174 -11.492   3.339   3.339
 1283    HN   ATT 174           HN       THI 174  -6.035   2.403   2.403
 1284    HN1  ATT 174           HN1      THI 174  -8.048   2.204   2.204
 1285    HN2  ATT 174           H2       THI 174 -11.981   0.648   0.648
 1286   1H4   ATT 174          1H4       THI 174  -9.762   3.829   3.829
 1287   2H4   ATT 174          2H4       THI 174 -10.361   3.259   3.259
 1288    H7   ATT 174           H7       THI 174  -5.506   5.664   5.664
 1289    H8   ATT 174           H8       THI 174  -5.091   4.995   4.995
 1290    H9   ATT 174           H9       THI 174  -6.791   3.760   3.760
 1291    H10  ATT 174           H10      THI 174  -8.783   2.893   2.893
 1292    H6   ATT 174           H6       THI 174  -7.525   4.772   4.772
 1293   1H    HOH 175          1H1       WTR 175  -8.205  14.812  14.812
 1294   2H    HOH 175          2H1       WTR 175  -7.262  15.754  15.754
 1295   1H    HOH 176          1H1       WTR 176   3.780  19.581  19.581
 1296   2H    HOH 176          2H1       WTR 176   2.697  19.094  19.094