AMBER: anal: dihedral error

From: renyanliang <yanliangren_2002.yahoo.com.cn>
Date: Tue, 21 Mar 2006 09:27:39 +0800 (CST)

Dear all,
   
      When I use anal to calculate the energy, there is something wrong in
  the out file. The error message is the following:
  -------------------
     number of non-bonded residue pairs = 109746
   DIHEDRAL ANGLE ERROR: 8227 22038 22029 22032 22047 49
  0 0.0000 0.0000
   
  -------------------
   
       I have searched the whole mailing list, someone also met this kind of
  the question. However, I don't know how to analyze the top file with rdparm
  and correct it.
   
       The top file is the same as that I used for the MD run. The dynamics
  calculation is completed well. Some lines of the top file are posted here.
   
  -------------------
  %VERSION VERSION_STAMP = V0001.000 DATE = 08/14/05 15:40:18
  %FLAG TITLE
  %FORMAT(20a4)
   
                                                                              
  %FLAG POINTERS
  %FORMAT(10I8) 7362
  15 3680 3761 8365 5093 15498 8932 0 0
     40624 468 3761 5093 8932 74 159 53 40
  0
         0 0 0 0 0 0 0 0 86
  0
         0
  %FLAG ATOM_NAME
  %FORMAT(20a4) N
  H1 H2 H3 CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
  HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O
  N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA
  HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
  HG21HG22HG23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
  HD11HD12HD13C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2
  HB3 C O N H CA HA2 HA3 C O N H CA HA CB HB CG1
  HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 OG HG C
  O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB1 HB2 HB3 C O
  N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C
  O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2
  HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3
  NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11
  HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
  HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2
  HG21HG22HG23
  CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG ND1 HD1
  CE1 HE1 NE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB
  HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
  HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG1
  HG11HG12HG13CG2 HG21HG22HG23
  C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA
  HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2
  HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB
  HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB1 HB2 HB3 C
  O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA
  HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2
  HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB1 HB2 HB3 C O N H
  CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3
  CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA
  CB HB2 HB3 CG HG CD1 HD11HD12HD13
  CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
  NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 OG
  HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O
  N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG OD1 OD2
  C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21HD22
  HD23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
  HD11HD12HD13
  C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2
  CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O
  N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA2
  HA3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2
  HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB CG2 HG21HG22HG23OG1
  HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C
  O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA
  CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 OG
  HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N
  H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N
  H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA
  CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG CD1
  HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG
  HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB CG2
  HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3
  CG OD1 OD2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA
  HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA
  HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
  HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG HG2
  HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
  CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
  CD OE1 NE2 HE21
  HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C
  O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2
  C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA
  HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA
  HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
  OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
  O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1
  HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE
  CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG CD1 HD1
  CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2
  HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB1 HB2
  HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ
  NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG OD1 ND2
  HD21HD22C O N H CA HA2 HA3 C O N H CA HA CB HB CG2
  HG21HG22HG23OG1 HG1 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA
  C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N
  H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N
  H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N
  CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2
  HB3 OG HG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O
  N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB
  HB CG2 HG21HG22
  HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1
  OD2 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
  HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE
  HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 OG HG C O
  N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB
  HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA
  CB HB2 HB3 CG HG CD1 HD11HD12HD13
  CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H
  CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA2 HA3 C O
  N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
  HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
  HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3
  CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG
  CD1 HD11HD12HD13CD2 HD21HD22
  HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23
  C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N CD
  HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB CG2
  HG21HG22
  HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG
  CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1
  HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O OXT N H1 H2
  H3 CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG ND1
  HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
  OE1 OE2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
  CB HB CG1 HG11HG12HG13
  CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 OG HG C O N H
  CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ
  CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
  HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1
  NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
  HE CZ NH1 HH11HH12
  NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2
  HD2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2
  CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
  HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG1
  HG11HG12HG13CG2 HG21HG22HG23
  C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N
  H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG
  CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2
  HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB
  CG2 HG21HG22HG23
  CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG OD1 OD2
  C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA
  HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H
  CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB
  HB1 HB2 HB3 C O N H CA HA2 HA3 C O N H CA HA CB HB CG2
  HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 SG HG C O N
  H CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB HB2
  HB3 CG OD1 OD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C
  O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2
  HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H CA
  HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB
  HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3
  CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3 OG HG
  C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2
  HD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H
  CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11
  HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1
  HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB2
  HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3
  CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE
  HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
  HD2 HD3 NE HE CZ NH1 HH11
  HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
  HZ CE2 HE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB
  HB2 HB3 OG HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2
  HG21HG22HG23C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
  HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2
  HB3 C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
  HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
  HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 OG HG
  C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ
  HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O OXT N H1
  H2 H3 CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2
  HZ3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H
  CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB1 HB2 HB3 C O
  N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2
  HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2
  HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA
  HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2
  HH21HH22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2
  HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE
  CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA2 HA3 C O N H CA
  HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1
  HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 OG HG C
  O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2
  C O N H CA HA CB HB2 HB3 CG HG CD1 HD11
  HD12HD13CD2 HD21HD22HD23C O N H CA HA2 HA3 C O N H CA HA2
  HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C
  O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N
  H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2
  HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB
  CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG OD1 OD2 C
  O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG2
  HG21HG22HG23CG1 HG12HG13CD1 HD11
  HD12HD13C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA
  CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N
  H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG
  HG CD1 HD11
  HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
  HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2
  HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG OD1 OD2
  C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H
  CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H
  CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2
  HH21HH22C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O
  N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12
  NH2 HH21HH22C O N H CA HA CB HB CG1 HG11HG12HG13CG2
  HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3
  CG HG CD1 HD11HD12HD13
  CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H
  CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 OG HG C
  O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB HB CG2
  HG21HG22HG23
  OG1 HG1 C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG
  OD1 OD2 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
  CB HB1 HB2 HB3 C O N H CA HA CB HB CG2 HG21HG22HG23CG1
  HG12HG13CD1 HD11HD12
  HD13C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA
  CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG CD1 HD1 NE1 HE1
  CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2 C O N H CA HA CB HB2 HB3
  OG HG C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
  HD11HD12HD13C O N H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1
  HD11HD12HD13C O N H CA HA CB HB2 HB3 OG HG C O N H CA
  HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 OG HG C O N
  CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2
  HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB
  HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O
  N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H
  CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3
  CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C
  O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA
  HA CB HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1
  HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2
  C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB CG1
  HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG2
  HG21HG22HG23
  CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2 HB3 CG HG2 HG3
  SD CE HE1 HE2 HE3 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1
  C O N H CA HA CB HB1 HB2 HB3 C O N CD HD2 HD3 CG HG2 HG3
  CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21HD22
  HD23C O N H CA HA CB HB2 HB3 SG HG C O N H CA HA CB
  HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
  HG21HG22HG23
  C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ
  HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 OG HG C O N H CA
  HA CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB
  HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H
  CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H
  CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD
  HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA
  HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N
  CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2
  HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB
  HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22
  HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23
  C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA
  HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H
  CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N CD
  HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3
  CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
  HG21HG22HG23C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H
  CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O
  N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N CD HD2
  HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG
  HG CD1 HD11HD12HD13CD2 HD21HD22HD23
  C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB
  CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG1
  HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG2
  HG21HG22HG23CG1 HG12HG13CD1 HD11
  HD12HD13C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N
  H CA HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2
  HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB
  HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H
  CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11HH12NH2
  HH21HH22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O
  N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA HA CB
  HB CG1 HG11HG12HG13CG2 HG21HG22
  HG23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3
  NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
  OH HH CE2 HE2 CD2 HD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA
  HA C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C
  O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1
  HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA
  HA CB HB CG1 HG11HG12HG13CG2 HG21
  HG22HG23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22
  HD23C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O
  N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB
  HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
  CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
  CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2
  HE21HE22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2
  HE21HE22C O N H CA HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2
  C O N H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3
  CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB CG2
  HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA2 HA3 C O N H CA
  HA CB HB CG2 HG21HG22HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG
  HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG
  CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3
  OG HG C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
  CB HB2 HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2
  HB3 CG HG2 HG3 SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG
  CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2 HD2 C O N CD HD2 HD3 CG HG2 HG3
  CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O
  N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1
  HH11HH12NH2 HH21HH22C O N H CA HA CB HB1 HB2 HB3 C O N CD
  HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB HB2 HB3
  CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG OD1 ND2
  HD21HD22C O N H CA HA CB HB CG1 HG11HG12
  HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
  CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12
  HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
  CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG2
  HG21HG22HG23OG1 HG1 C O N H CA HA CB HB CG2 HG21HG22HG23OG1 HG1
  C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ CE2 HE2 CD2
  HD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O
  N H CA HA2 HA3 C O N H CA HA2 HA3 C O N H CA HA CB
  HB2 HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
  NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG
  OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
  NE HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB2 HB3 CG
  HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB1 HB2 HB3 C O
  N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2
  HZ3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2
  HB3 OG HG C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE
  HE CZ NH1 HH11HH12NH2 HH21HH22C O N H CA HA CB HB CG2
  HG21HG22HG23
  OG1 HG1 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O
  N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O
  N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2
  HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N
  H CA HA CB HB CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N
  H CA HA CB HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA
  CB HB CG2 HG21HG22HG23
  OG1 HG1 C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
  CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13
  CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
  CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
  CD OE1 NE2 HE21HE22C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21
  HD22HD23C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22
  HD23C O N H CA HA2 HA3 C O N H CA HA CB HB1 HB2 HB3 C
  O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA
  HA2 HA3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O
  N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA CB
  HB CG2 HG21HG22
  HG23OG1 HG1 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH
  HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB CG1 HG11HG12HG13CG2
  HG21HG22HG23
  C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C O N H CA
  HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB
  HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
  HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H CA
  HA CB HB2 HB3 CG CD1 HD1 NE1 HE1 CE2 CZ2 HZ2 CH2 HH2 CZ3 HZ3 CE3 HE3 CD2
  C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB2
  HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA
  HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
  CZ HZ CE2 HE2 CD2 HD2 C O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA
  HA C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH
  HH CE2 HE2 CD2 HD2 C O N H CA HA2 HA3 C O N H CA HA CB
  HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N H CA HA CB HB2 HB3
  CG OD1 ND2 HD21HD22C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1
  CZ OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG OD1 OD2
  C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB
  CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB2 HB3 CG HG
  CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB HB2 HB3 CG OD1
  OD2 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB
  CG2 HG21HG22HG23CG1 HG12HG13CD1 HD11HD12HD13C O N H CA HA CB HB2
  HB3 CG OD1 OD2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3
  CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG HG2 HG3
  SD CE HE1 HE2 HE3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1
  OE2 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3
  NZ HZ1 HZ2 HZ3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
  O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C
  O N CD HD2 HD3 CG HG2 HG3 CB HB2 HB3 CA HA C O N H CA HA2
  HA3 C O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2
  HD21HD22HD23C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ HZ
  CE2 HE2 CD2 HD2 C O N H CA HA CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ
  OH HH CE2 HE2 CD2 HD2 C O N H CA HA CB HB1 HB2 HB3 C O N
  H CA HA2 HA3 C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
  O N H CA HA CB HB2 HB3 CG ND1 HD1 CE1 HE1 NE2 CD2 HD2 C O N
  H CA HA CB HB2 HB3 CG HG2 HG3 CD HD2 HD3 NE HE CZ NH1 HH11
  HH12NH2 HH21HH22C O N H CA HA2 HA3 C O N H CA HA2 HA3 C
  O N H CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C
  O N H CA HA CB HB2 HB3 OG HG C O N H CA HA CB HB CG1
  HG11HG12HG13
  CG2 HG21HG22HG23C O N H CA HA2 HA3 C O N H CA HA CB HB2
  HB3 CG HG2 HG3 CD HD2 HD3 CE HE2 HE3 NZ HZ1 HZ2 HZ3 C O N H CA
  HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG CD1
  HD11HD12HD13CD2 HD21
  HD22HD23C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
  CB HB2 HB3 OG HG C O N H CA HA2 HA3 C O N H CA HA CB
  HB2 HB3 SG HG C O N H CA HA CB HB2 HB3 CG OD1 ND2 HD21HD22C
  O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3
  C O N H CA HA CB HB2 HB3 CG OD1 OD2 C O N H CA HA CB
  HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H CA HA CB
  HB CG1 HG11HG12HG13CG2 HG21HG22HG23C O N H CA HA CB HB CG2
  HG21HG22HG23CG1 HG12HG13CD1 HD11
  HD12HD13C O N H CA HA CB HB2 HB3 OG HG C O N H CA HA
  CB HB2 HB3 CG CD1 HD1 CE1 HE1 CZ OH HH CE2 HE2 CD2 HD2 C O N H
  CA HA CB HB2 HB3 CG HG CD1 HD11HD12HD13CD2 HD21HD22HD23C O N H
  CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 OE2 C O N H CA HA CB HB2
  HB3 OG HG C O N H CA HA CB HB CG1 HG11HG12HG13CG2
  HG21HG22HG23C O N H CA HA CB HB2 HB3 OG HG C O OXT O3 H9
  C7 H7 H8 C6 H5 H6 O2 C5 H3 H4 C4 H2 H29 O1 C3 C8 C9 H11 H10
  C2 H28 C1 H1 C10 C11 C12 H12 H13 H14 C13 H15 H16 H17 C14 H18 H19 C15 C17
  H23 H24 H30 C18 H25 H26 H27 C16 H20 H21 H22 O8 C12 N7 H14 C11 O7 N6 C22
  C13 N8 C14 C15 H15 C16 C17 H16 H17 H18 C18 C19 H19 H20 H21 C20 H22 C21 N9
  C23 H23 H24 C24 O9 H26 H25 C25 O10 H28 H27 C26 O11 H30 H29 C27 H31 H32 O12
  P2 O13 H33 O14 O15 P1 O1 H1 O2 O3 C1 H2 H3 C2 C3 O5 H6 C4 O6
  H8 H7 H5 H4 O4 C5 H9 N1 C6 H10 N2 C7 C8 N3 H11 H12 N4 C9 H13
  N5 C10 C15 H9 C14 C13 H7 H8 O1 C9 C10 C11 C12 F1 H6 Cl1 C8 H5 C7
  N3 C6 S2 C5 S1 N1 N2 C1 H1 H10 C2 H2 H11 C3 H3 H12 C4 H4 H13
  --------------------------------
   
  Please give me some suggestions! Thanks in advance.

                
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 Ż1Gٷְٷ
 Ż-ɱɧ
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Received on Sun Mar 26 2006 - 06:10:09 PST
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