*HEADER   FIMBRIAL PROTEIN                        05-OCT-95   1KB7    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: KB7 PILIN, TRANS;                                
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 DOMAIN: RESIDUES 128 - 144 (ACE-SCATTVDAKFRPNGCTD-OH);     
*COMPND  5 SYNONYM: FIMBRIAL PROTEIN;                                 
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;               
*SOURCE  4 STRAIN: KB7                                                
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES                 
*REVDAT  1   29-JAN-96 1KB7    0                                      



!BIOSYM restraint 1
! kb7_128-144.rstrnt
! pseudo-atom corrected
! stereosp assign for CYS_129, PRO_139, GLY_141, and CYS_142 
! SER_128:HB1=HBS,HB2=HBR
! CYS_129:HB1=HBS,HB2=HBR; CYS_142:HB1=HBS,HB2=HBR
! PHE_137:HB1=HBS,HB2=HBR
! ARG_138:HB1=HBS,HB2=HBR
! PRO_139:HB1=HBS,HB2=HBR,HD1=HDR,HD2=HDS.
! GLY_141:HA1=HAS, HA2=HAR
! ASP_144:HB1=HBS,HB2=HBR
!
#chiral
1:SER_128:CA       S
1:CYS_129:CA       R
1:ALA_130:CA       S
1:THR_131:CA       S
1:THR_131:CB       R
1:THR_132:CA       S
1:THR_132:CB       R
1:VAL_133:CA       S
1:ASP_134:CA       S
1:ALA_135:CA       S
1:LYS_136:CA       S
1:PHE_137:CA       S
1:ARG_138:CA       S
1:PRO_139:CA       S
1:ASN_140:CA       S
1:CYS_142:CA       R
1:THR_143:CA       S
1:THR_143:CB       R
1:ASP_144:CA       S
!
#distance
1:ASP_134:O        1:PHE_137:HN        1.800  2.500 10.00 10.00 1000.000
1:ASP_134:O        1:PHE_137:N         1.800  3.000 10.00 10.00 1000.000
1:PRO_139:O        1:CYS_142:HN        1.800  2.500 10.00 10.00 1000.000
1:PRO_139:O        1:CYS_142:N         1.800  3.000 10.00 10.00 1000.000
!
#NOE_distance
1:ARG_138:HH2*     1:ARG_138:HD*      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HH1*     1:ARG_138:HD*      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ASN_140:HD2*     1:ASN_140:HB*      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:NH*      1:ALA_135:HA        2.300  6.500  5.000 10.00 10.00 1000.000  0.00 
1:ARG_138:NH*      1:ARG_138:HD*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:NH*      1:ARG_138:HBS      -1.000  6.000  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:NH*      1:ARG_138:HG*      -1.000  5.000  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PHE_137:HA       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PHE_137:HBS      -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PHE_137:HBR      -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:ASP_134:HB*      -1.000  5.500  3.300 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:VAL_133:HG*       2.300  9.900  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PHE_137:HBS       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:ARG_138:HH2*     1:ARG_138:NH*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HH2*     1:ARG_138:HH1*     -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:NH*      1:ARG_138:HH1*     -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:THR_132:HN       1:THR_131:HN       -1.000  3.000  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:LYS_136:HN       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HD*      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:ALA_135:HB*      1:PHE_137:HN       -1.000  6.500  6.500 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:PHE_137:HD*       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:VAL_133:HN       1:ASP_134:HN       -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:GLY_141:HN       -1.000  2.800  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:ALA_135:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00 
1:ASP_134:HN       1:ALA_135:HN        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:ASN_140:HN        2.300  5.000  3.300 10.00 10.00 1000.000  0.00
1:ALA_130:HN       1:CYS_129:HN       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:THR_132:HN       1:THR_132:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:THR_132:HN       1:THR_132:HB       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:THR_132:HN       1:ALA_130:HB*      -1.000  6.500  3.300 10.00 10.00 1000.000  0.00
1:THR_132:HN       1:THR_132:HG*      -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:LYS_136:HA       -1.000  3.500  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:LYS_136:HD*      -1.000  3.700  3.300 10.00 10.00 1000.000  0.00
1:ALA_135:HA       1:PHE_137:HN        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_140:HA       1:CYS_142:HN        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:PHE_137:HA       -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:ARG_138:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:LYS_136:HA        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:PRO_139:HDR       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:PHE_137:HBS      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:ARG_138:HD*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:PHE_137:HBR      -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:ARG_138:HBS       2.300  4.000  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:ARG_138:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HN       1:ARG_138:HG*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:THR_131:HN       1:THR_131:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:THR_131:HN       1:THR_131:HB       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:THR_131:HN       1:ALA_130:HB*      -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:THR_131:HN       1:THR_131:HG*      -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:ASP_144:HN       1:ASP_144:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:ASP_144:HN       1:ASP_144:HBS       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP_144:HN       1:ASP_144:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_133:HN       1:VAL_133:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:VAL_133:HN       1:VAL_133:HB       -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:VAL_133:HN       1:VAL_133:HG*      -1.000  5.600  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:CYS_142:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:GLY_141:HAS       2.300  3.600  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:GLY_141:HAR      -1.000  2.800  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:CYS_142:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:CYS_142:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ALA_135:HN       1:ASP_134:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ALA_135:HN       1:ALA_135:HA       -1.000  2.900  2.700 10.00 10.00 1000.000  0.00
1:ALA_135:HN       1:ASP_134:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ALA_135:HN       1:ALA_135:HB*      -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:ASP_134:HA        2.300  5.000  3.300 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:LYS_136:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:ALA_135:HA       -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:ASP_134:HB*       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:LYS_136:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:LYS_136:HD*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:ALA_135:HB*      -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:LYS_136:HN       1:LYS_136:HG*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ALA_130:HN       1:CYS_129:HA       -1.000  3.600  2.700 10.00 10.00 1000.000  0.00
1:ALA_130:HN       1:ALA_130:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:ALA_130:HN       1:CYS_129:HBS       2.300  4.000  3.300 10.00 10.00 1000.000  0.00
1:ALA_130:HN       1:CYS_129:HBR      -1.000  2.700  3.300 10.00 10.00 1000.000  0.00
1:ALA_130:HN       1:ALA_130:HB*      -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:SER_128:HN       1:SER_128:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:SER_128:HN       1:SER_128:HBS       2.300  4.000  3.300 10.00 10.00 1000.000  0.00
1:SER_128:HN       1:SER_128:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:SER_128:HN       1:ACE_127:HA*      -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:SER_128:HN       1:THR_131:HG*      -1.000  4.200  3.300 10.00 10.00 1000.000  0.00 
1:ASP_134:HN       1:ASP_134:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HN       1:VAL_133:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HN       1:ASP_134:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HN       1:VAL_133:HG*      -1.000  5.600  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:GLY_141:HAS      -1.000  2.900  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:GLY_141:HAR      -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:ASN_140:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:ASN_140:HB*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:THR_143:HN       1:CYS_142:HA        2.300  4.000  2.700 10.00 10.00 1000.000  0.00
1:THR_143:HN       1:THR_143:HA       -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:THR_143:HN       1:THR_143:HB       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_143:HN       1:CYS_142:HBS      -1.000  2.700  3.300 10.00 10.00 1000.000  0.00
1:THR_143:HN       1:CYS_142:HBR       2.300  3.900  3.300 10.00 10.00 1000.000  0.00
1:THR_143:HN       1:THR_143:HG*      -1.000  3.800  3.300 10.00 10.00 1000.000  0.00
1:ASN_140:HN       1:ASN_140:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASN_140:HN       1:PRO_139:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASN_140:HN       1:ASN_140:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ASN_140:HN       1:PRO_139:HBS       2.300  4.000  3.300 10.00 10.00 1000.000  0.00 
1:ASN_140:HN       1:PRO_139:HBR       2.300  4.200  2.700 10.00 10.00 1000.000  0.00 
1:CYS_129:HN       1:CYS_129:HA       -1.000  3.000  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:SER_128:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:SER_128:HBS      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:SER_128:HBR       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:CYS_129:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:CYS_129:HBR      -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:ALA_130:HB*       2.300  6.500  5.000 10.00 10.00 1000.000  0.00
1:CYS_142:HA       1:CYS_142:HBS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HA       1:CYS_142:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HA       1:PRO_139:HDS       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_129:HA       1:CYS_129:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HA       1:CYS_129:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HA       1:PHE_137:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HA       1:PHE_137:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASN_140:HA       1:ASN_140:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HA       1:PRO_139:HDR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HA       1:PRO_139:HDS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HA       1:ARG_138:HD*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HA       1:PRO_139:HBR      -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HA       1:ARG_138:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HA       1:ARG_138:HBR      -1.000  3.100  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HA       1:ARG_138:HG*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HA       1:VAL_133:HA        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASP_134:HA       1:ASP_134:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HA       1:VAL_133:HG*       2.300  7.900  5.000 10.00 10.00 1000.000  0.00
1:SER_128:HA       1:SER_128:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:SER_128:HA       1:SER_128:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:THR_143:HA       1:THR_143:HB       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP_144:HA       1:ASP_144:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP_144:HA       1:ASP_144:HBR      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_143:HA       1:THR_143:HG*      -1.000  3.200  2.700 10.00 10.00 1000.000  0.00
1:THR_132:HA       1:THR_132:HB       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_131:HA       1:ALA_130:HB*       2.300  6.500  5.000 10.00 10.00 1000.000  0.00
1:THR_132:HA       1:THR_132:HG*      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HA       1:PRO_139:HDR       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HA       1:PRO_139:HBS      -1.000  2.900  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HA       1:PRO_139:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HA       1:LYS_136:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HA       1:LYS_136:HD*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:ALA_135:HA       1:ALA_135:HB*      -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HA       1:LYS_136:HG*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ALA_135:HA       1:ARG_138:HD*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:VAL_133:HA       1:VAL_133:HB       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_133:HA       1:VAL_133:HG*      -1.000  5.600  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:PRO_139:HBS      -1.000  4.200  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:PRO_139:HBR      -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:ARG_138:HBS      -1.000  5.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:ARG_138:HBR      -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:ARG_138:HG*       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:PRO_139:HBS      -1.000  4.200  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:PRO_139:HBR      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:ARG_138:HBS      -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:ARG_138:HBR       2.300  5.000  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:ARG_138:HG*       2.300  5.000  3.300 10.00 10.00 1000.000  0.00
1:ARG_138:HD*      1:ARG_138:HBS      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HD*      1:ARG_138:HBR      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:ARG_138:HD*      1:ARG_138:HG*      -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HBR      1:VAL_133:HG*       2.300  9.000  5.000 10.00 10.00 1000.000  0.00
1:LYS_136:HE*      1:LYS_136:HD*      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:LYS_136:HE*      1:LYS_136:HG*      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HBS      1:PRO_139:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:VAL_133:HB       1:VAL_133:HG*      -1.000  5.600  2.700 10.00 10.00 1000.000  0.00
1:LYS_136:HD*      1:LYS_136:HG*      -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
!
#NMR_dihedral
!phi-angle restraints
1:ASP_134:C        1:ALA_135:N        1:ALA_135:CA       1:ALA_135:C       -90.000 -30.000 30.00  30.00 1000.000  
1:LYS_136:C        1:PHE_137:N        1:PHE_137:CA       1:PHE_137:C      -120.000 -60.000 30.00  30.00 1000.000  
1:CYS_142:C        1:THR_143:N        1:THR_143:CA       1:THR_143:C      -125.000 -65.000 30.00  30.00 1000.000
!omega-angle restraints
1:SER_128:CA       1:SER_128:C        1:CYS_129:N        1:CYS_129:CA       179.000 -179.000 100.00 100.00 1000.000
1:CYS_129:CA       1:CYS_129:C        1:ALA_130:N        1:ALA_130:CA       179.000 -179.000 100.00 100.00 1000.000
1:ALA_130:CA       1:ALA_130:C        1:THR_131:N        1:THR_131:CA       179.000 -179.000 100.00 100.00 1000.000
1:THR_131:CA       1:THR_131:C        1:THR_132:N        1:THR_132:CA       179.000 -179.000 100.00 100.00 1000.000
1:THR_132:CA       1:THR_132:C        1:VAL_133:N        1:VAL_133:CA       179.000 -179.000 100.00 100.00 1000.000
1:VAL_133:CA       1:VAL_133:C        1:ASP_134:N        1:ASP_134:CA       179.000 -179.000 100.00 100.00 1000.000
1:ASP_134:CA       1:ASP_134:C        1:ALA_135:N        1:ALA_135:CA       179.000 -179.000 100.00 100.00 1000.000
1:ALA_135:CA       1:ALA_135:C        1:LYS_136:N        1:LYS_136:CA       179.000 -179.000 100.00 100.00 1000.000
1:LYS_136:CA       1:LYS_136:C        1:PHE_137:N        1:PHE_137:CA       179.000 -179.000 100.00 100.00 1000.000
1:PHE_137:CA       1:PHE_137:C        1:ARG_138:N        1:ARG_138:CA       179.000 -179.000 100.00 100.00 1000.000
1:ARG_138:CA       1:ARG_138:C        1:PRO_139:N        1:PRO_139:CA       179.000 -179.000 100.00 100.00 1000.000
1:PRO_139:CA       1:PRO_139:C        1:ASN_140:N        1:ASN_140:CA       179.000 -179.000 100.00 100.00 1000.000
1:ASN_140:CA       1:ASN_140:C        1:GLY_141:N        1:GLY_141:CA       179.000 -179.000 100.00 100.00 1000.000
1:GLY_141:CA       1:GLY_141:C        1:CYS_142:N        1:CYS_142:CA       179.000 -179.000 100.00 100.00 1000.000
1:CYS_142:CA       1:CYS_142:C        1:THR_143:N        1:THR_143:CA       179.000 -179.000 100.00 100.00 1000.000
1:THR_143:CA       1:THR_143:C        1:ASP_144:N        1:ASP_144:CA       179.000 -179.000 100.00 100.00 1000.000

  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1   1HH3  ACE 127          1HA       ACE 127  -3.186  -7.815  -4.766
    2   2HH3  ACE 127          2HA       ACE 127  -4.955  -7.935  -4.927
    3   3HH3  ACE 127          3HA       ACE 127  -4.085  -9.081  -3.878
    4    H    SER 128           H        SER 128  -2.548  -7.754  -2.302
    5    HA   SER 128           HA       SER 128  -4.373  -5.995  -0.625
    6   1HB   SER 128          1HB       SER 128  -2.829  -6.454   1.231
    7   2HB   SER 128          2HB       SER 128  -3.377  -7.956   0.478
    8    HG   SER 128           HG       SER 128  -1.409  -8.003  -0.683
    9    H    CYS 129           H        CYS 129  -3.785  -4.027   0.147
   10    HA   CYS 129           HA       CYS 129  -2.147  -2.238  -1.531
   11   1HB   CYS 129          1HB       CYS 129  -4.174  -1.444  -0.341
   12   2HB   CYS 129          2HB       CYS 129  -3.394  -1.717   1.235
   13    H    ALA 130           H        ALA 130  -1.631  -3.394   1.867
   14    HA   ALA 130           HA       ALA 130   1.247  -2.457   1.818
   15   1HB   ALA 130          1HB       ALA 130   1.309  -3.243   4.186
   16   2HB   ALA 130          2HB       ALA 130  -0.355  -3.862   4.052
   17   3HB   ALA 130          3HB       ALA 130  -0.030  -2.114   3.910
   18    H    THR 131           H        THR 131   2.503  -3.690   0.637
   19    HA   THR 131           HA       THR 131   2.645  -6.710   1.094
   20    HB   THR 131           HB       THR 131   2.709  -5.419  -1.709
   21    HG1  THR 131           HG1      THR 131   0.648  -5.452  -0.767
   22   1HG2  THR 131          1HG2      THR 131   4.044  -7.563  -1.586
   23   2HG2  THR 131          2HG2      THR 131   2.557  -7.780  -2.535
   24   3HG2  THR 131          3HG2      THR 131   2.640  -8.399  -0.868
   25    H    THR 132           H        THR 132   4.362  -4.181  -0.833
   26    HA   THR 132           HA       THR 132   7.038  -5.225   0.154
   27    HB   THR 132           HB       THR 132   6.452  -2.968  -1.863
   28    HG1  THR 132           HG1      THR 132   5.717  -5.020  -2.505
   29   1HG2  THR 132          1HG2      THR 132   8.798  -3.359  -2.649
   30   2HG2  THR 132          2HG2      THR 132   8.806  -2.857  -0.946
   31   3HG2  THR 132          3HG2      THR 132   9.057  -4.569  -1.367
   32    H    VAL 133           H        VAL 133   8.195  -4.193   1.666
   33    HA   VAL 133           HA       VAL 133   6.897  -2.078   3.309
   34    HB   VAL 133           HB       VAL 133   7.881  -4.032   4.338
   35   1HG1  VAL 133          1HG1      VAL 133  10.732  -3.035   3.721
   36   2HG1  VAL 133          2HG1      VAL 133   9.952  -4.438   2.953
   37   3HG1  VAL 133          3HG1      VAL 133  10.263  -4.442   4.697
   38   1HG2  VAL 133          1HG2      VAL 133   9.246  -1.463   5.322
   39   2HG2  VAL 133          2HG2      VAL 133   7.574  -1.961   5.671
   40   3HG2  VAL 133          3HG2      VAL 133   8.930  -2.934   6.273
   41    H    ASP 134           H        ASP 134   6.843  -0.293   2.120
   42    HA   ASP 134           HA       ASP 134   9.212   1.524   2.249
   43   1HB   ASP 134          1HB       ASP 134   8.833   2.303  -0.244
   44   2HB   ASP 134          2HB       ASP 134   8.012   0.784  -0.514
   45    HD2  ASP 134           HD2      ASP 134  10.917  -0.949  -1.005
   46    H    ALA 135           H        ALA 135   8.563   3.587   2.464
   47    HA   ALA 135           HA       ALA 135   5.771   4.297   3.049
   48   1HB   ALA 135          1HB       ALA 135   8.192   6.159   2.537
   49   2HB   ALA 135          2HB       ALA 135   6.653   6.629   3.298
   50   3HB   ALA 135          3HB       ALA 135   7.715   5.465   4.108
   51    H    LYS 136           H        LYS 136   7.691   4.759   0.080
   52    HA   LYS 136           HA       LYS 136   5.573   6.367  -1.327
   53   1HB   LYS 136          1HB       LYS 136   7.064   6.170  -3.329
   54   2HB   LYS 136          2HB       LYS 136   7.764   6.938  -1.940
   55   1HG   LYS 136          1HG       LYS 136   9.474   5.689  -2.985
   56   2HG   LYS 136          2HG       LYS 136   9.165   4.931  -1.434
   57   1HD   LYS 136          1HD       LYS 136   8.078   3.869  -4.126
   58   2HD   LYS 136          2HD       LYS 136   7.914   3.074  -2.555
   59   1HE   LYS 136          1HE       LYS 136  10.598   3.615  -3.982
   60   2HE   LYS 136          2HE       LYS 136  10.442   2.879  -2.379
   61   1HZ   LYS 136          1HZ       LYS 136  10.647   1.209  -4.061
   62   2HZ   LYS 136          2HZ       LYS 136   9.176   1.084  -3.358
   63    H    PHE 137           H        PHE 137   5.994   2.988  -0.806
   64    HA   PHE 137           HA       PHE 137   4.766   2.020  -3.319
   65   1HB   PHE 137          1HB       PHE 137   6.302   0.646  -1.900
   66   2HB   PHE 137          2HB       PHE 137   5.128   0.639  -0.595
   67    HD1  PHE 137           HD1      PHE 137   3.308  -0.995  -0.590
   68    HD2  PHE 137           HD2      PHE 137   5.743  -0.545  -4.113
   69    HE1  PHE 137           HE1      PHE 137   2.308  -3.021  -1.556
   70    HE2  PHE 137           HE2      PHE 137   4.736  -2.586  -5.053
   71    HZ   PHE 137           HZ       PHE 137   3.017  -3.824  -3.779
   72    H    ARG 138           H        ARG 138   3.354   2.276   0.003
   73    HA   ARG 138           HA       ARG 138   0.701   1.385  -0.902
   74   1HB   ARG 138          1HB       ARG 138   1.358   2.718   1.783
   75   2HB   ARG 138          2HB       ARG 138  -0.139   1.934   1.309
   76   1HG   ARG 138          1HG       ARG 138   1.292  -0.225   0.862
   77   2HG   ARG 138          2HG       ARG 138   0.771   0.227   2.477
   78   1HD   ARG 138          1HD       ARG 138   3.033   1.300   2.921
   79   2HD   ARG 138          2HD       ARG 138   3.604   0.735   1.343
   80   1HH1  ARG 138          1HH1      ARG 138   4.964  -2.493   4.809
   81   2HH1  ARG 138          2HH1      ARG 138   3.657  -3.021   3.635
   82   1HH2  ARG 138          1HH2      ARG 138   4.772   0.818   3.887
   83   2HH2  ARG 138          2HH2      ARG 138   5.557  -0.459   4.945
   84    HA   PRO 139           HA       PRO 139  -0.555   5.697  -2.157
   85   1HB   PRO 139          1HB       PRO 139  -3.218   4.424  -2.845
   86   2HB   PRO 139          2HB       PRO 139  -2.135   5.390  -3.860
   87   1HG   PRO 139          1HG       PRO 139  -2.323   2.683  -4.214
   88   2HG   PRO 139          2HG       PRO 139  -0.748   3.500  -4.365
   89   1HD   PRO 139          1HD       PRO 139  -1.834   1.974  -1.922
   90   2HD   PRO 139          2HD       PRO 139  -0.238   1.853  -2.700
   91    H    ASN 140           H        ASN 140  -1.961   7.325  -1.436
   92    HA   ASN 140           HA       ASN 140  -2.900   7.098   1.354
   93   1HB   ASN 140          1HB       ASN 140  -3.256   9.423  -0.653
   94   2HB   ASN 140          2HB       ASN 140  -1.836   9.155   0.335
   95   1HD2  ASN 140          1HD2      ASN 140  -4.917  10.599   0.309
   96   2HD2  ASN 140          2HD2      ASN 140  -4.919  11.111   2.071
   97    H    GLY 141           H        GLY 141  -4.730   6.158   1.890
   98   1HA   GLY 141          1HA       GLY 141  -7.121   5.752   2.021
   99   2HA   GLY 141          2HA       GLY 141  -7.362   6.747   0.564
  100    H    CYS 142           H        CYS 142  -5.172   3.950   0.676
  101    HA   CYS 142           HA       CYS 142  -6.580   2.717  -1.645
  102   1HB   CYS 142          1HB       CYS 142  -4.100   2.778  -1.518
  103   2HB   CYS 142          2HB       CYS 142  -4.698   1.123  -1.647
  104    H    THR 143           H        THR 143  -7.482   0.712  -1.777
  105    HA   THR 143           HA       THR 143  -8.735  -0.448   0.737
  106    HB   THR 143           HB       THR 143  -9.282  -1.083  -2.230
  107    HG1  THR 143           HG1      THR 143  -9.827   1.014  -1.537
  108   1HG2  THR 143          1HG2      THR 143 -11.425  -2.095  -1.386
  109   2HG2  THR 143          2HG2      THR 143 -10.029  -2.989  -0.750
  110   3HG2  THR 143          3HG2      THR 143 -10.906  -1.846   0.299
  111    H    ASP 144           H        ASP 144  -7.804  -2.102   1.696
  112    HA   ASP 144           HA       ASP 144  -5.576  -3.691   0.405
  113   1HB   ASP 144          1HB       ASP 144  -5.401  -2.666   2.747
  114   2HB   ASP 144          2HB       ASP 144  -6.632  -3.804   3.300
  115    HD2  ASP 144           HD2      ASP 144  -3.486  -3.266   2.595
  116    HXT  ASP 144           HO        OH 145  -6.343  -5.007  -0.879
   
  No H/Q in entry =         116