============================================================
          |                                                          |
          |            Crystallography & NMR System (CNS)            |
          |                         CNSsolve                         |
          |                                                          |
          ============================================================
           Version: 1.1
           Status: Developmental version
          ============================================================
           Written by: A.T.Brunger, P.D.Adams, G.M.Clore, W.L.DeLano,
                       P.Gros, R.W.Grosse-Kunstleve, J.-S.Jiang,
                       J.Kuszewski, M.Nilges, N.S.Pannu, R.J.Read,
                       L.M.Rice, T.Simonson, G.L.Warren.
           Copyright (c) 1997-1999 Yale University
          ============================================================
           Running on machine: cesg-master.biochem.wisc.edu (Linux,32-bit)
           Program started by: francis
           Program started at: 15:57:20 on 21-Dec-05
          ============================================================

 FFT3C: Using FFTPACK4.1

 CNSsolve>define( 
 DEFINE>{* selection of atoms other than hydrogens for which coordinates 
 DEFINE>   will be generated *} 
 DEFINE>{* to generate coordinates for all unknown atoms use: (not(known)) *} 
 DEFINE>{===>} atom_build=(not(known)); 
 DEFINE>{============================= output files ================================} 
 DEFINE> 
 DEFINE>{* input coordinate file *} 
 DEFINE>{===>} coordinate_infile="1xxx_8.pdb"; 
 DEFINE> 
 DEFINE>{* output coordinate file *} 
 DEFINE>{===>} coordinate_outfile="1xxx_8_cns.pdb"; 
 DEFINE>) 
 CNSsolve> 
 CNSsolve> checkversion 1.1 
 Program version= 1.1 File version= 1.1
 CNSsolve> 
 CNSsolve> evaluate ($log_level=verbose) 
 Assuming literal string "VERBOSE"
 EVALUATE: symbol $LOG_LEVEL set to "VERBOSE" (string)
 CNSsolve> evaluate ($par_nonbonded="PROLSQ") 
 EVALUATE: symbol $PAR_NONBONDED set to "PROLSQ" (string)
 CNSsolve> 
 CNSsolve> !@generateProtonsJFD.inp 
 CNSsolve> 
 CNSsolve>{===========================================================================} 
 CNSsolve>{         things below this line do not need to be changed                  } 
 CNSsolve>{===========================================================================} 
 CNSsolve> 
 CNSsolve>remarks changed Tue Sep  2 09:48:07 CDT 2003 
 CNSsolve>remarks by jfd to include a fes residue 
 CNSsolve> 
 CNSsolve>!@generate_tmoc.inp 
 CNSsolve> 
 CNSsolve>topology reset end 
 CNSsolve>structure reset end 
 Status of internal molecular topology database:
 -> NATOM=          0(MAXA=       40000)  NBOND=          0(MAXB=       40000)
 -> NTHETA=         0(MAXT=       80000)  NGRP=           0(MAXGRP=     40000)
 -> NPHI=           0(MAXP=       80000)  NIMPHI=         0(MAXIMP=     40000)
 -> NNB=            0(MAXNB=      40000) 
 CNSsolve> 
 CNSsolve>topology 
 RTFRDR>{===>} @TOPPAR:topallhdg5.3.pro 
 ASSFIL: file /u/francis/waterrefine/toppar/topallhdg5.3.pro opened.
 RTFRDR>remark   file topallhdg.pro  version 5.3  date 23-Sept-02 
 RTFRDR>remark      for file parallhdg.pro version 5.3 date 13-Feb-02 or later 
 RTFRDR>remark   Geometric energy function parameters for distance geometry and 
 RTFRDR>remark      simulated annealing. 
 RTFRDR>remark   Author: Michael Nilges, EMBL Heidelberg; Institut Pasteur, Paris 
 RTFRDR>remark   This file contains modifications from M. Williams, UCL London 
 RTFRDR>remark   Last modification 16-Sept-02 
 RTFRDR> 
 RTFRDR>set echo off message off end 
 RTFRDR>end 
 CNSsolve> 
 CNSsolve>! no chain id. 
 CNSsolve>segment  name="    " 
 SEGMENT>    chain 
 CHAIN>        @TOPPAR:topallhdg5.3.pep 
 CHAIN>REMARKS  TOPH19.pep -MACRO for protein sequence 
 CHAIN>SET ECHO=FALSE END 
 CHAIN>        sequence 
 SEQUENCE>        	@1xxx.seq 
 SEQUENCE>GLY 
 SEQUence-element (terminate with END) =SER 
 SEQUence-element (terminate with END) =ASP 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =PHE 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =CYS 
 SEQUence-element (terminate with END) =PHE 
 SEQUence-element (terminate with END) =HIS 
 SEQUence-element (terminate with END) =TYR 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =THR 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =CYS 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =TRP 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =SER 
 SEQUence-element (terminate with END) =LYS 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =MET 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =PHE 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ILE 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =SER 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =ASP 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =PL	 
 %GENRES-ERR: residue PL   not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LL2 
 %GENRES-ERR: residue LL2  not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =LP	 
 %GENRES-ERR: residue LP   not found in topology file
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +CB   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =GLY 
 %PATCH-ERR: to be deleted bond -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -O    -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +CA   not found in molecular structure.
 %PATCH-ERR: to be deleted angle -C    +N    +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -C    +N    +CA   +C    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    +N    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted dihedral -CB   -CA   -C    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper -C    -CA   +N    -O    not found in molecular structure.
 %PATCH-ERR: to be deleted improper +N    -C    +CA   +HN   not found in molecular structure.
 %PATCH-ERR: to be deleted improper -CA   -C    +N    +CA   not found in molecular structure.
 SEQUence-element (terminate with END) =SER 
 SEQUence-element (terminate with END) =ASP 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =PHE 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =CYS 
 SEQUence-element (terminate with END) =PHE 
 SEQUence-element (terminate with END) =HIS 
 SEQUence-element (terminate with END) =TYR 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =THR 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =CYS 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =TRP 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =SER 
 SEQUence-element (terminate with END) =LYS 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =MET 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =PHE 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ILE 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =GLN 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =SER 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =ALA 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =VAL 
 SEQUence-element (terminate with END) =ASP 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =LEU 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =ARG 
 SEQUence-element (terminate with END) =GLU 
 SEQUence-element (terminate with END) =PRO 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =GLY 
 SEQUence-element (terminate with END) =	end 
 SEGMNT:   394 residues were inserted into segment "    "
 CHAIN>    end 
 SEGMENT>end 
 Status of internal molecular topology database:
 -> NATOM=       2941(MAXA=       40000)  NBOND=       2971(MAXB=       40000)
 -> NTHETA=      5385(MAXT=       80000)  NGRP=         190(MAXGRP=     40000)
 -> NPHI=        4400(MAXP=       80000)  NIMPHI=      1538(MAXIMP=     40000)
 -> NNB=          912(MAXNB=      40000) 
 CNSsolve> 
 CNSsolve>! turn peptide from trans to cis 
 CNSsolve>!patch CISP reference=nil=( resid 80 ) end 
 CNSsolve> 
 CNSsolve>coor @&coordinate_infile 
 COOR>HEADER    STRUCTURE FROM CYANA 2.1                21-DEC-05     1PDB 
 COOR>EXPDTA    NMR, 20 STRUCTURES 
 COOR>REMARK model 8 
 COOR>ATOM      1    N GLY A   1       3.967   5.341  -1.830  1.00 54.53 
 %READC-ERR: atom      1    GLY  H    not found in molecular structure
 %READC-ERR: atom      1    GLY  2HA  not found in molecular structure
 %READC-ERR: atom      1    GLY  3HA  not found in molecular structure
 %READC-ERR: atom      2    SER  H    not found in molecular structure
 %READC-ERR: atom      2    SER  2HB  not found in molecular structure
 %READC-ERR: atom      2    SER  3HB  not found in molecular structure
 %READC-ERR: atom      3    ASP  H    not found in molecular structure
 %READC-ERR: atom      3    ASP  2HB  not found in molecular structure
 %READC-ERR: atom      3    ASP  3HB  not found in molecular structure
 %READC-ERR: atom      4    PRO  2HB  not found in molecular structure
 %READC-ERR: atom      4    PRO  3HB  not found in molecular structure
 %READC-ERR: atom      4    PRO  2HG  not found in molecular structure
 %READC-ERR: atom      4    PRO  3HG  not found in molecular structure
 %READC-ERR: atom      4    PRO  2HD  not found in molecular structure
 %READC-ERR: atom      4    PRO  3HD  not found in molecular structure
 %READC-ERR: atom      5    GLY  H    not found in molecular structure
 %READC-ERR: atom      5    GLY  2HA  not found in molecular structure
 %READC-ERR: atom      5    GLY  3HA  not found in molecular structure
 %READC-ERR: atom      6    PRO  2HB  not found in molecular structure
 %READC-ERR: atom      6    PRO  3HB  not found in molecular structure
 %READC-ERR: atom      6    PRO  2HG  not found in molecular structure
 %READC-ERR: atom      6    PRO  3HG  not found in molecular structure
 %READC-ERR: atom      6    PRO  2HD  not found in molecular structure
 %READC-ERR: atom      6    PRO  3HD  not found in molecular structure
 %READC-ERR: atom      7    GLU  H    not found in molecular structure
 %READC-ERR: atom      7    GLU  2HB  not found in molecular structure
 %READC-ERR: atom      7    GLU  3HB  not found in molecular structure
 %READC-ERR: atom      7    GLU  2HG  not found in molecular structure
 %READC-ERR: atom      7    GLU  3HG  not found in molecular structure
 %READC-ERR: atom      8    ALA  H    not found in molecular structure
 %READC-ERR: atom      8    ALA  1HB  not found in molecular structure
 %READC-ERR: atom      8    ALA  2HB  not found in molecular structure
 %READC-ERR: atom      8    ALA  3HB  not found in molecular structure
 %READC-ERR: atom      9    ALA  H    not found in molecular structure
 %READC-ERR: atom      9    ALA  1HB  not found in molecular structure
 %READC-ERR: atom      9    ALA  2HB  not found in molecular structure
 %READC-ERR: atom      9    ALA  3HB  not found in molecular structure
 %READC-ERR: atom      10   ARG  H    not found in molecular structure
 %READC-ERR: atom      10   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      10   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      10   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      10   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      10   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      10   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      10   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      10   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      10   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      10   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      11   LEU  H    not found in molecular structure
 %READC-ERR: atom      11   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      11   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      11   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      11   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      11   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      11   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      11   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      11   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      12   ARG  H    not found in molecular structure
 %READC-ERR: atom      12   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      12   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      12   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      12   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      12   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      12   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      12   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      12   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      12   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      12   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      13   PHE  H    not found in molecular structure
 %READC-ERR: atom      13   PHE  2HB  not found in molecular structure
 %READC-ERR: atom      13   PHE  3HB  not found in molecular structure
 %READC-ERR: atom      14   ARG  H    not found in molecular structure
 %READC-ERR: atom      14   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      14   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      14   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      14   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      14   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      14   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      14   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      14   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      14   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      14   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      15   CYS  H    not found in molecular structure
 %READC-ERR: atom      15   CYS  2HB  not found in molecular structure
 %READC-ERR: atom      15   CYS  3HB  not found in molecular structure
 %READC-ERR: atom      16   PHE  H    not found in molecular structure
 %READC-ERR: atom      16   PHE  2HB  not found in molecular structure
 %READC-ERR: atom      16   PHE  3HB  not found in molecular structure
 %READC-ERR: atom      17   HIS  H    not found in molecular structure
 %READC-ERR: atom      17   HIS  2HB  not found in molecular structure
 %READC-ERR: atom      17   HIS  3HB  not found in molecular structure
 %READC-ERR: atom      18   TYR  H    not found in molecular structure
 %READC-ERR: atom      18   TYR  2HB  not found in molecular structure
 %READC-ERR: atom      18   TYR  3HB  not found in molecular structure
 %READC-ERR: atom      19   GLU  H    not found in molecular structure
 %READC-ERR: atom      19   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      19   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      19   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      19   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      20   GLU  H    not found in molecular structure
 %READC-ERR: atom      20   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      20   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      20   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      20   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      21   ALA  H    not found in molecular structure
 %READC-ERR: atom      21   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      21   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      21   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      22   THR  H    not found in molecular structure
 %READC-ERR: atom      22   THR  1HG2 not found in molecular structure
 %READC-ERR: atom      22   THR  2HG2 not found in molecular structure
 %READC-ERR: atom      22   THR  3HG2 not found in molecular structure
 %READC-ERR: atom      23   GLY  H    not found in molecular structure
 %READC-ERR: atom      23   GLY  2HA  not found in molecular structure
 %READC-ERR: atom      23   GLY  3HA  not found in molecular structure
 %READC-ERR: atom      24   PRO  2HB  not found in molecular structure
 %READC-ERR: atom      24   PRO  3HB  not found in molecular structure
 %READC-ERR: atom      24   PRO  2HG  not found in molecular structure
 %READC-ERR: atom      24   PRO  3HG  not found in molecular structure
 %READC-ERR: atom      24   PRO  2HD  not found in molecular structure
 %READC-ERR: atom      24   PRO  3HD  not found in molecular structure
 %READC-ERR: atom      25   GLN  H    not found in molecular structure
 %READC-ERR: atom      25   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      25   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      25   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      25   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      25   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      25   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      26   GLU  H    not found in molecular structure
 %READC-ERR: atom      26   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      26   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      26   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      26   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      27   ALA  H    not found in molecular structure
 %READC-ERR: atom      27   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      27   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      27   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      28   LEU  H    not found in molecular structure
 %READC-ERR: atom      28   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      28   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      28   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      28   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      28   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      28   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      28   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      28   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      29   ALA  H    not found in molecular structure
 %READC-ERR: atom      29   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      29   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      29   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      30   GLN  H    not found in molecular structure
 %READC-ERR: atom      30   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      30   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      30   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      30   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      30   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      30   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      31   LEU  H    not found in molecular structure
 %READC-ERR: atom      31   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      31   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      31   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      31   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      31   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      31   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      31   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      31   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      32   ARG  H    not found in molecular structure
 %READC-ERR: atom      32   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      32   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      32   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      32   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      32   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      32   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      32   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      32   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      32   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      32   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      33   GLU  H    not found in molecular structure
 %READC-ERR: atom      33   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      33   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      33   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      33   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      34   LEU  H    not found in molecular structure
 %READC-ERR: atom      34   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      34   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      34   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      34   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      34   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      34   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      34   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      34   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      35   CYS  H    not found in molecular structure
 %READC-ERR: atom      35   CYS  2HB  not found in molecular structure
 %READC-ERR: atom      35   CYS  3HB  not found in molecular structure
 %READC-ERR: atom      36   ARG  H    not found in molecular structure
 %READC-ERR: atom      36   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      36   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      36   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      36   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      36   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      36   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      36   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      36   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      36   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      36   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      37   GLN  H    not found in molecular structure
 %READC-ERR: atom      37   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      37   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      37   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      37   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      37   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      37   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      38   TRP  H    not found in molecular structure
 %READC-ERR: atom      38   TRP  2HB  not found in molecular structure
 %READC-ERR: atom      38   TRP  3HB  not found in molecular structure
 %READC-ERR: atom      39   LEU  H    not found in molecular structure
 %READC-ERR: atom      39   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      39   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      39   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      39   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      39   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      39   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      39   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      39   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      40   ARG  H    not found in molecular structure
 %READC-ERR: atom      40   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      40   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      40   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      40   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      40   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      40   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      40   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      40   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      40   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      40   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      41   PRO  2HB  not found in molecular structure
 %READC-ERR: atom      41   PRO  3HB  not found in molecular structure
 %READC-ERR: atom      41   PRO  2HG  not found in molecular structure
 %READC-ERR: atom      41   PRO  3HG  not found in molecular structure
 %READC-ERR: atom      41   PRO  2HD  not found in molecular structure
 %READC-ERR: atom      41   PRO  3HD  not found in molecular structure
 %READC-ERR: atom      42   GLU  H    not found in molecular structure
 %READC-ERR: atom      42   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      42   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      42   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      42   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      43   VAL  H    not found in molecular structure
 %READC-ERR: atom      43   VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      43   VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      43   VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      43   VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      43   VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      43   VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      44   ARG  H    not found in molecular structure
 %READC-ERR: atom      44   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      44   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      44   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      44   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      44   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      44   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      44   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      44   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      44   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      44   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      45   SER  H    not found in molecular structure
 %READC-ERR: atom      45   SER  2HB  not found in molecular structure
 %READC-ERR: atom      45   SER  3HB  not found in molecular structure
 %READC-ERR: atom      46   LYS  H    not found in molecular structure
 %READC-ERR: atom      46   LYS  2HB  not found in molecular structure
 %READC-ERR: atom      46   LYS  3HB  not found in molecular structure
 %READC-ERR: atom      46   LYS  2HG  not found in molecular structure
 %READC-ERR: atom      46   LYS  3HG  not found in molecular structure
 %READC-ERR: atom      46   LYS  2HD  not found in molecular structure
 %READC-ERR: atom      46   LYS  3HD  not found in molecular structure
 %READC-ERR: atom      46   LYS  2HE  not found in molecular structure
 %READC-ERR: atom      46   LYS  3HE  not found in molecular structure
 %READC-ERR: atom      46   LYS  1HZ  not found in molecular structure
 %READC-ERR: atom      46   LYS  2HZ  not found in molecular structure
 %READC-ERR: atom      46   LYS  3HZ  not found in molecular structure
 %READC-ERR: atom      47   GLU  H    not found in molecular structure
 %READC-ERR: atom      47   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      47   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      47   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      47   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      48   GLN  H    not found in molecular structure
 %READC-ERR: atom      48   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      48   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      48   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      48   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      48   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      48   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      49   MET  H    not found in molecular structure
 %READC-ERR: atom      49   MET  2HB  not found in molecular structure
 %READC-ERR: atom      49   MET  3HB  not found in molecular structure
 %READC-ERR: atom      49   MET  2HG  not found in molecular structure
 %READC-ERR: atom      49   MET  3HG  not found in molecular structure
 %READC-ERR: atom      49   MET  1HE  not found in molecular structure
 %READC-ERR: atom      49   MET  2HE  not found in molecular structure
 %READC-ERR: atom      49   MET  3HE  not found in molecular structure
 %READC-ERR: atom      50   LEU  H    not found in molecular structure
 %READC-ERR: atom      50   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      50   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      50   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      50   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      50   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      50   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      50   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      50   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      51   GLU  H    not found in molecular structure
 %READC-ERR: atom      51   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      51   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      51   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      51   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      52   LEU  H    not found in molecular structure
 %READC-ERR: atom      52   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      52   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      52   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      52   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      52   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      52   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      52   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      52   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      53   LEU  H    not found in molecular structure
 %READC-ERR: atom      53   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      53   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      53   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      53   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      53   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      53   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      53   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      53   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      54   VAL  H    not found in molecular structure
 %READC-ERR: atom      54   VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      54   VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      54   VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      54   VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      54   VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      54   VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      55   LEU  H    not found in molecular structure
 %READC-ERR: atom      55   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      55   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      55   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      55   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      55   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      55   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      55   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      55   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      56   GLU  H    not found in molecular structure
 %READC-ERR: atom      56   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      56   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      56   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      56   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      57   GLN  H    not found in molecular structure
 %READC-ERR: atom      57   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      57   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      57   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      57   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      57   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      57   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      58   PHE  H    not found in molecular structure
 %READC-ERR: atom      58   PHE  2HB  not found in molecular structure
 %READC-ERR: atom      58   PHE  3HB  not found in molecular structure
 %READC-ERR: atom      59   LEU  H    not found in molecular structure
 %READC-ERR: atom      59   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      59   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      59   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      59   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      59   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      59   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      59   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      59   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      60   GLY  H    not found in molecular structure
 %READC-ERR: atom      60   GLY  2HA  not found in molecular structure
 %READC-ERR: atom      60   GLY  3HA  not found in molecular structure
 %READC-ERR: atom      61   ALA  H    not found in molecular structure
 %READC-ERR: atom      61   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      61   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      61   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      62   LEU  H    not found in molecular structure
 %READC-ERR: atom      62   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      62   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      62   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      62   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      62   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      62   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      62   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      62   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      63   PRO  2HB  not found in molecular structure
 %READC-ERR: atom      63   PRO  3HB  not found in molecular structure
 %READC-ERR: atom      63   PRO  2HG  not found in molecular structure
 %READC-ERR: atom      63   PRO  3HG  not found in molecular structure
 %READC-ERR: atom      63   PRO  2HD  not found in molecular structure
 %READC-ERR: atom      63   PRO  3HD  not found in molecular structure
 %READC-ERR: atom      64   PRO  2HB  not found in molecular structure
 %READC-ERR: atom      64   PRO  3HB  not found in molecular structure
 %READC-ERR: atom      64   PRO  2HG  not found in molecular structure
 %READC-ERR: atom      64   PRO  3HG  not found in molecular structure
 %READC-ERR: atom      64   PRO  2HD  not found in molecular structure
 %READC-ERR: atom      64   PRO  3HD  not found in molecular structure
 %READC-ERR: atom      65   GLU  H    not found in molecular structure
 %READC-ERR: atom      65   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      65   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      65   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      65   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      66   ILE  H    not found in molecular structure
 %READC-ERR: atom      66   ILE  1HG2 not found in molecular structure
 %READC-ERR: atom      66   ILE  2HG2 not found in molecular structure
 %READC-ERR: atom      66   ILE  3HG2 not found in molecular structure
 %READC-ERR: atom      66   ILE  2HG1 not found in molecular structure
 %READC-ERR: atom      66   ILE  3HG1 not found in molecular structure
 %READC-ERR: atom      66   ILE  1HD1 not found in molecular structure
 %READC-ERR: atom      66   ILE  2HD1 not found in molecular structure
 %READC-ERR: atom      66   ILE  3HD1 not found in molecular structure
 %READC-ERR: atom      67   GLN  H    not found in molecular structure
 %READC-ERR: atom      67   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      67   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      67   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      67   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      67   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      67   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      68   ALA  H    not found in molecular structure
 %READC-ERR: atom      68   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      68   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      68   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      69   ARG  H    not found in molecular structure
 %READC-ERR: atom      69   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      69   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      69   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      69   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      69   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      69   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      69   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      69   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      69   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      69   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      70   VAL  H    not found in molecular structure
 %READC-ERR: atom      70   VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      70   VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      70   VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      70   VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      70   VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      70   VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      71   GLN  H    not found in molecular structure
 %READC-ERR: atom      71   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      71   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      71   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      71   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      71   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      71   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      72   GLY  H    not found in molecular structure
 %READC-ERR: atom      72   GLY  2HA  not found in molecular structure
 %READC-ERR: atom      72   GLY  3HA  not found in molecular structure
 %READC-ERR: atom      73   GLN  H    not found in molecular structure
 %READC-ERR: atom      73   GLN  2HB  not found in molecular structure
 %READC-ERR: atom      73   GLN  3HB  not found in molecular structure
 %READC-ERR: atom      73   GLN  2HG  not found in molecular structure
 %READC-ERR: atom      73   GLN  3HG  not found in molecular structure
 %READC-ERR: atom      73   GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      73   GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      74   ARG  H    not found in molecular structure
 %READC-ERR: atom      74   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      74   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      74   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      74   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      74   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      74   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      74   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      74   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      74   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      74   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      75   PRO  2HB  not found in molecular structure
 %READC-ERR: atom      75   PRO  3HB  not found in molecular structure
 %READC-ERR: atom      75   PRO  2HG  not found in molecular structure
 %READC-ERR: atom      75   PRO  3HG  not found in molecular structure
 %READC-ERR: atom      75   PRO  2HD  not found in molecular structure
 %READC-ERR: atom      75   PRO  3HD  not found in molecular structure
 %READC-ERR: atom      76   GLY  H    not found in molecular structure
 %READC-ERR: atom      76   GLY  2HA  not found in molecular structure
 %READC-ERR: atom      76   GLY  3HA  not found in molecular structure
 %READC-ERR: atom      77   SER  H    not found in molecular structure
 %READC-ERR: atom      77   SER  2HB  not found in molecular structure
 %READC-ERR: atom      77   SER  3HB  not found in molecular structure
 %READC-ERR: atom      78   PRO  2HB  not found in molecular structure
 %READC-ERR: atom      78   PRO  3HB  not found in molecular structure
 %READC-ERR: atom      78   PRO  2HG  not found in molecular structure
 %READC-ERR: atom      78   PRO  3HG  not found in molecular structure
 %READC-ERR: atom      78   PRO  2HD  not found in molecular structure
 %READC-ERR: atom      78   PRO  3HD  not found in molecular structure
 %READC-ERR: atom      79   GLU  H    not found in molecular structure
 %READC-ERR: atom      79   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      79   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      79   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      79   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      80   GLU  H    not found in molecular structure
 %READC-ERR: atom      80   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      80   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      80   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      80   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      81   ALA  H    not found in molecular structure
 %READC-ERR: atom      81   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      81   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      81   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      82   ALA  H    not found in molecular structure
 %READC-ERR: atom      82   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      82   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      82   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      83   ALA  H    not found in molecular structure
 %READC-ERR: atom      83   ALA  1HB  not found in molecular structure
 %READC-ERR: atom      83   ALA  2HB  not found in molecular structure
 %READC-ERR: atom      83   ALA  3HB  not found in molecular structure
 %READC-ERR: atom      84   LEU  H    not found in molecular structure
 %READC-ERR: atom      84   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      84   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      84   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      84   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      84   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      84   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      84   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      84   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      85   VAL  H    not found in molecular structure
 %READC-ERR: atom      85   VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      85   VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      85   VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      85   VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      85   VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      85   VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      86   ASP  H    not found in molecular structure
 %READC-ERR: atom      86   ASP  2HB  not found in molecular structure
 %READC-ERR: atom      86   ASP  3HB  not found in molecular structure
 %READC-ERR: atom      87   GLY  H    not found in molecular structure
 %READC-ERR: atom      87   GLY  2HA  not found in molecular structure
 %READC-ERR: atom      87   GLY  3HA  not found in molecular structure
 %READC-ERR: atom      88   LEU  H    not found in molecular structure
 %READC-ERR: atom      88   LEU  2HB  not found in molecular structure
 %READC-ERR: atom      88   LEU  3HB  not found in molecular structure
 %READC-ERR: atom      88   LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      88   LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      88   LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      88   LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      88   LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      88   LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      89   ARG  H    not found in molecular structure
 %READC-ERR: atom      89   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      89   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      89   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      89   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      89   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      89   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      89   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      89   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      89   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      89   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      90   ARG  H    not found in molecular structure
 %READC-ERR: atom      90   ARG  2HB  not found in molecular structure
 %READC-ERR: atom      90   ARG  3HB  not found in molecular structure
 %READC-ERR: atom      90   ARG  2HG  not found in molecular structure
 %READC-ERR: atom      90   ARG  3HG  not found in molecular structure
 %READC-ERR: atom      90   ARG  2HD  not found in molecular structure
 %READC-ERR: atom      90   ARG  3HD  not found in molecular structure
 %READC-ERR: atom      90   ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      90   ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      90   ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      90   ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      91   GLU  H    not found in molecular structure
 %READC-ERR: atom      91   GLU  2HB  not found in molecular structure
 %READC-ERR: atom      91   GLU  3HB  not found in molecular structure
 %READC-ERR: atom      91   GLU  2HG  not found in molecular structure
 %READC-ERR: atom      91   GLU  3HG  not found in molecular structure
 %READC-ERR: atom      92   PRO  2HB  not found in molecular structure
 %READC-ERR: atom      92   PRO  3HB  not found in molecular structure
 %READC-ERR: atom      92   PRO  2HG  not found in molecular structure
 %READC-ERR: atom      92   PRO  3HG  not found in molecular structure
 %READC-ERR: atom      92   PRO  2HD  not found in molecular structure
 %READC-ERR: atom      92   PRO  3HD  not found in molecular structure
 %READC-ERR: atom      93   GLY  H    not found in molecular structure
 %READC-ERR: atom      93   GLY  2HA  not found in molecular structure
 %READC-ERR: atom      93   GLY  3HA  not found in molecular structure
 %READC-ERR: atom      94   GLY  H    not found in molecular structure
 %READC-ERR: atom      94   GLY  2HA  not found in molecular structure
 %READC-ERR: atom      94   GLY  3HA  not found in molecular structure
 %READC-ERR: atom      167  PL   N    not found in molecular structure
 %READC-ERR: atom      167  PL   Q1   not found in molecular structure
 %READC-ERR: atom      167  PL   Q2   not found in molecular structure
 %READC-ERR: atom      168  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      168  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      168  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      169  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      169  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      169  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      170  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      170  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      170  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      171  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      171  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      171  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      172  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      172  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      172  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      173  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      173  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      173  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      174  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      174  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      174  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      175  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      175  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      175  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      176  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      176  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      176  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      177  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      177  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      177  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      178  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      178  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      178  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      179  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      179  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      179  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      180  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      180  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      180  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      181  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      181  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      181  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      182  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      182  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      182  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      183  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      183  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      183  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      184  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      184  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      184  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      185  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      185  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      185  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      186  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      186  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      186  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      187  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      187  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      187  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      188  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      188  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      188  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      189  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      189  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      189  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      190  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      190  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      190  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      191  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      191  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      191  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      192  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      192  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      192  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      193  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      193  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      193  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      194  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      194  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      194  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      195  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      195  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      195  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      196  LL2  Q3   not found in molecular structure
 %READC-ERR: atom      196  LL2  Q1   not found in molecular structure
 %READC-ERR: atom      196  LL2  Q2   not found in molecular structure
 %READC-ERR: atom      197  LP   Q3   not found in molecular structure
 %READC-ERR: atom      197  LP   C    not found in molecular structure
 %READC-ERR: atom      197  LP   O    not found in molecular structure
 %READC-ERR: atom      301  GLY  H    not found in molecular structure
 %READC-ERR: atom      301  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      301  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      302  SER  H    not found in molecular structure
 %READC-ERR: atom      302  SER  2HB  not found in molecular structure
 %READC-ERR: atom      302  SER  3HB  not found in molecular structure
 %READC-ERR: atom      303  ASP  H    not found in molecular structure
 %READC-ERR: atom      303  ASP  2HB  not found in molecular structure
 %READC-ERR: atom      303  ASP  3HB  not found in molecular structure
 %READC-ERR: atom      304  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      304  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      304  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      304  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      304  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      304  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      305  GLY  H    not found in molecular structure
 %READC-ERR: atom      305  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      305  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      306  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      306  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      306  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      306  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      306  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      306  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      307  GLU  H    not found in molecular structure
 %READC-ERR: atom      307  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      307  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      307  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      307  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      308  ALA  H    not found in molecular structure
 %READC-ERR: atom      308  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      308  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      308  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      309  ALA  H    not found in molecular structure
 %READC-ERR: atom      309  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      309  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      309  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      310  ARG  H    not found in molecular structure
 %READC-ERR: atom      310  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      310  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      310  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      310  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      310  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      310  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      310  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      310  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      310  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      310  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      311  LEU  H    not found in molecular structure
 %READC-ERR: atom      311  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      311  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      311  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      311  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      311  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      311  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      311  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      311  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      312  ARG  H    not found in molecular structure
 %READC-ERR: atom      312  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      312  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      312  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      312  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      312  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      312  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      312  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      312  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      312  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      312  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      313  PHE  H    not found in molecular structure
 %READC-ERR: atom      313  PHE  2HB  not found in molecular structure
 %READC-ERR: atom      313  PHE  3HB  not found in molecular structure
 %READC-ERR: atom      314  ARG  H    not found in molecular structure
 %READC-ERR: atom      314  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      314  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      314  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      314  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      314  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      314  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      314  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      314  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      314  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      314  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      315  CYS  H    not found in molecular structure
 %READC-ERR: atom      315  CYS  2HB  not found in molecular structure
 %READC-ERR: atom      315  CYS  3HB  not found in molecular structure
 %READC-ERR: atom      316  PHE  H    not found in molecular structure
 %READC-ERR: atom      316  PHE  2HB  not found in molecular structure
 %READC-ERR: atom      316  PHE  3HB  not found in molecular structure
 %READC-ERR: atom      317  HIS  H    not found in molecular structure
 %READC-ERR: atom      317  HIS  2HB  not found in molecular structure
 %READC-ERR: atom      317  HIS  3HB  not found in molecular structure
 %READC-ERR: atom      318  TYR  H    not found in molecular structure
 %READC-ERR: atom      318  TYR  2HB  not found in molecular structure
 %READC-ERR: atom      318  TYR  3HB  not found in molecular structure
 %READC-ERR: atom      319  GLU  H    not found in molecular structure
 %READC-ERR: atom      319  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      319  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      319  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      319  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      320  GLU  H    not found in molecular structure
 %READC-ERR: atom      320  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      320  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      320  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      320  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      321  ALA  H    not found in molecular structure
 %READC-ERR: atom      321  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      321  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      321  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      322  THR  H    not found in molecular structure
 %READC-ERR: atom      322  THR  1HG2 not found in molecular structure
 %READC-ERR: atom      322  THR  2HG2 not found in molecular structure
 %READC-ERR: atom      322  THR  3HG2 not found in molecular structure
 %READC-ERR: atom      323  GLY  H    not found in molecular structure
 %READC-ERR: atom      323  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      323  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      324  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      324  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      324  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      324  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      324  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      324  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      325  GLN  H    not found in molecular structure
 %READC-ERR: atom      325  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      325  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      325  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      325  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      325  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      325  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      326  GLU  H    not found in molecular structure
 %READC-ERR: atom      326  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      326  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      326  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      326  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      327  ALA  H    not found in molecular structure
 %READC-ERR: atom      327  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      327  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      327  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      328  LEU  H    not found in molecular structure
 %READC-ERR: atom      328  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      328  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      328  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      328  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      328  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      328  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      328  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      328  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      329  ALA  H    not found in molecular structure
 %READC-ERR: atom      329  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      329  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      329  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      330  GLN  H    not found in molecular structure
 %READC-ERR: atom      330  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      330  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      330  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      330  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      330  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      330  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      331  LEU  H    not found in molecular structure
 %READC-ERR: atom      331  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      331  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      331  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      331  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      331  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      331  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      331  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      331  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      332  ARG  H    not found in molecular structure
 %READC-ERR: atom      332  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      332  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      332  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      332  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      332  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      332  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      332  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      332  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      332  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      332  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      333  GLU  H    not found in molecular structure
 %READC-ERR: atom      333  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      333  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      333  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      333  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      334  LEU  H    not found in molecular structure
 %READC-ERR: atom      334  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      334  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      334  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      334  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      334  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      334  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      334  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      334  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      335  CYS  H    not found in molecular structure
 %READC-ERR: atom      335  CYS  2HB  not found in molecular structure
 %READC-ERR: atom      335  CYS  3HB  not found in molecular structure
 %READC-ERR: atom      336  ARG  H    not found in molecular structure
 %READC-ERR: atom      336  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      336  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      336  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      336  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      336  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      336  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      336  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      336  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      336  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      336  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      337  GLN  H    not found in molecular structure
 %READC-ERR: atom      337  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      337  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      337  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      337  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      337  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      337  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      338  TRP  H    not found in molecular structure
 %READC-ERR: atom      338  TRP  2HB  not found in molecular structure
 %READC-ERR: atom      338  TRP  3HB  not found in molecular structure
 %READC-ERR: atom      339  LEU  H    not found in molecular structure
 %READC-ERR: atom      339  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      339  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      339  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      339  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      339  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      339  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      339  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      339  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      340  ARG  H    not found in molecular structure
 %READC-ERR: atom      340  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      340  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      340  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      340  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      340  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      340  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      340  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      340  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      340  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      340  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      341  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      341  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      341  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      341  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      341  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      341  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      342  GLU  H    not found in molecular structure
 %READC-ERR: atom      342  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      342  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      342  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      342  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      343  VAL  H    not found in molecular structure
 %READC-ERR: atom      343  VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      343  VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      343  VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      343  VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      343  VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      343  VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      344  ARG  H    not found in molecular structure
 %READC-ERR: atom      344  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      344  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      344  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      344  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      344  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      344  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      344  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      344  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      344  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      344  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      345  SER  H    not found in molecular structure
 %READC-ERR: atom      345  SER  2HB  not found in molecular structure
 %READC-ERR: atom      345  SER  3HB  not found in molecular structure
 %READC-ERR: atom      346  LYS  H    not found in molecular structure
 %READC-ERR: atom      346  LYS  2HB  not found in molecular structure
 %READC-ERR: atom      346  LYS  3HB  not found in molecular structure
 %READC-ERR: atom      346  LYS  2HG  not found in molecular structure
 %READC-ERR: atom      346  LYS  3HG  not found in molecular structure
 %READC-ERR: atom      346  LYS  2HD  not found in molecular structure
 %READC-ERR: atom      346  LYS  3HD  not found in molecular structure
 %READC-ERR: atom      346  LYS  2HE  not found in molecular structure
 %READC-ERR: atom      346  LYS  3HE  not found in molecular structure
 %READC-ERR: atom      346  LYS  1HZ  not found in molecular structure
 %READC-ERR: atom      346  LYS  2HZ  not found in molecular structure
 %READC-ERR: atom      346  LYS  3HZ  not found in molecular structure
 %READC-ERR: atom      347  GLU  H    not found in molecular structure
 %READC-ERR: atom      347  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      347  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      347  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      347  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      348  GLN  H    not found in molecular structure
 %READC-ERR: atom      348  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      348  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      348  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      348  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      348  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      348  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      349  MET  H    not found in molecular structure
 %READC-ERR: atom      349  MET  2HB  not found in molecular structure
 %READC-ERR: atom      349  MET  3HB  not found in molecular structure
 %READC-ERR: atom      349  MET  2HG  not found in molecular structure
 %READC-ERR: atom      349  MET  3HG  not found in molecular structure
 %READC-ERR: atom      349  MET  1HE  not found in molecular structure
 %READC-ERR: atom      349  MET  2HE  not found in molecular structure
 %READC-ERR: atom      349  MET  3HE  not found in molecular structure
 %READC-ERR: atom      350  LEU  H    not found in molecular structure
 %READC-ERR: atom      350  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      350  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      350  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      350  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      350  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      350  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      350  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      350  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      351  GLU  H    not found in molecular structure
 %READC-ERR: atom      351  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      351  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      351  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      351  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      352  LEU  H    not found in molecular structure
 %READC-ERR: atom      352  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      352  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      352  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      352  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      352  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      352  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      352  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      352  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      353  LEU  H    not found in molecular structure
 %READC-ERR: atom      353  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      353  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      353  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      353  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      353  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      353  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      353  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      353  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      354  VAL  H    not found in molecular structure
 %READC-ERR: atom      354  VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      354  VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      354  VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      354  VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      354  VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      354  VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      355  LEU  H    not found in molecular structure
 %READC-ERR: atom      355  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      355  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      355  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      355  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      355  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      355  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      355  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      355  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      356  GLU  H    not found in molecular structure
 %READC-ERR: atom      356  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      356  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      356  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      356  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      357  GLN  H    not found in molecular structure
 %READC-ERR: atom      357  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      357  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      357  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      357  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      357  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      357  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      358  PHE  H    not found in molecular structure
 %READC-ERR: atom      358  PHE  2HB  not found in molecular structure
 %READC-ERR: atom      358  PHE  3HB  not found in molecular structure
 %READC-ERR: atom      359  LEU  H    not found in molecular structure
 %READC-ERR: atom      359  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      359  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      359  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      359  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      359  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      359  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      359  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      359  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      360  GLY  H    not found in molecular structure
 %READC-ERR: atom      360  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      360  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      361  ALA  H    not found in molecular structure
 %READC-ERR: atom      361  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      361  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      361  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      362  LEU  H    not found in molecular structure
 %READC-ERR: atom      362  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      362  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      362  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      362  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      362  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      362  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      362  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      362  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      363  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      363  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      363  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      363  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      363  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      363  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      364  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      364  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      364  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      364  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      364  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      364  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      365  GLU  H    not found in molecular structure
 %READC-ERR: atom      365  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      365  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      365  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      365  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      366  ILE  H    not found in molecular structure
 %READC-ERR: atom      366  ILE  1HG2 not found in molecular structure
 %READC-ERR: atom      366  ILE  2HG2 not found in molecular structure
 %READC-ERR: atom      366  ILE  3HG2 not found in molecular structure
 %READC-ERR: atom      366  ILE  2HG1 not found in molecular structure
 %READC-ERR: atom      366  ILE  3HG1 not found in molecular structure
 %READC-ERR: atom      366  ILE  1HD1 not found in molecular structure
 %READC-ERR: atom      366  ILE  2HD1 not found in molecular structure
 %READC-ERR: atom      366  ILE  3HD1 not found in molecular structure
 %READC-ERR: atom      367  GLN  H    not found in molecular structure
 %READC-ERR: atom      367  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      367  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      367  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      367  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      367  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      367  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      368  ALA  H    not found in molecular structure
 %READC-ERR: atom      368  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      368  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      368  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      369  ARG  H    not found in molecular structure
 %READC-ERR: atom      369  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      369  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      369  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      369  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      369  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      369  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      369  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      369  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      369  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      369  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      370  VAL  H    not found in molecular structure
 %READC-ERR: atom      370  VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      370  VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      370  VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      370  VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      370  VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      370  VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      371  GLN  H    not found in molecular structure
 %READC-ERR: atom      371  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      371  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      371  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      371  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      371  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      371  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      372  GLY  H    not found in molecular structure
 %READC-ERR: atom      372  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      372  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      373  GLN  H    not found in molecular structure
 %READC-ERR: atom      373  GLN  2HB  not found in molecular structure
 %READC-ERR: atom      373  GLN  3HB  not found in molecular structure
 %READC-ERR: atom      373  GLN  2HG  not found in molecular structure
 %READC-ERR: atom      373  GLN  3HG  not found in molecular structure
 %READC-ERR: atom      373  GLN  1HE2 not found in molecular structure
 %READC-ERR: atom      373  GLN  2HE2 not found in molecular structure
 %READC-ERR: atom      374  ARG  H    not found in molecular structure
 %READC-ERR: atom      374  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      374  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      374  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      374  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      374  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      374  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      374  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      374  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      374  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      374  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      375  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      375  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      375  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      375  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      375  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      375  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      376  GLY  H    not found in molecular structure
 %READC-ERR: atom      376  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      376  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      377  SER  H    not found in molecular structure
 %READC-ERR: atom      377  SER  2HB  not found in molecular structure
 %READC-ERR: atom      377  SER  3HB  not found in molecular structure
 %READC-ERR: atom      378  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      378  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      378  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      378  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      378  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      378  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      379  GLU  H    not found in molecular structure
 %READC-ERR: atom      379  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      379  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      379  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      379  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      380  GLU  H    not found in molecular structure
 %READC-ERR: atom      380  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      380  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      380  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      380  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      381  ALA  H    not found in molecular structure
 %READC-ERR: atom      381  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      381  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      381  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      382  ALA  H    not found in molecular structure
 %READC-ERR: atom      382  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      382  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      382  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      383  ALA  H    not found in molecular structure
 %READC-ERR: atom      383  ALA  1HB  not found in molecular structure
 %READC-ERR: atom      383  ALA  2HB  not found in molecular structure
 %READC-ERR: atom      383  ALA  3HB  not found in molecular structure
 %READC-ERR: atom      384  LEU  H    not found in molecular structure
 %READC-ERR: atom      384  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      384  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      384  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      384  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      384  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      384  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      384  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      384  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      385  VAL  H    not found in molecular structure
 %READC-ERR: atom      385  VAL  1HG1 not found in molecular structure
 %READC-ERR: atom      385  VAL  2HG1 not found in molecular structure
 %READC-ERR: atom      385  VAL  3HG1 not found in molecular structure
 %READC-ERR: atom      385  VAL  1HG2 not found in molecular structure
 %READC-ERR: atom      385  VAL  2HG2 not found in molecular structure
 %READC-ERR: atom      385  VAL  3HG2 not found in molecular structure
 %READC-ERR: atom      386  ASP  H    not found in molecular structure
 %READC-ERR: atom      386  ASP  2HB  not found in molecular structure
 %READC-ERR: atom      386  ASP  3HB  not found in molecular structure
 %READC-ERR: atom      387  GLY  H    not found in molecular structure
 %READC-ERR: atom      387  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      387  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      388  LEU  H    not found in molecular structure
 %READC-ERR: atom      388  LEU  2HB  not found in molecular structure
 %READC-ERR: atom      388  LEU  3HB  not found in molecular structure
 %READC-ERR: atom      388  LEU  1HD1 not found in molecular structure
 %READC-ERR: atom      388  LEU  2HD1 not found in molecular structure
 %READC-ERR: atom      388  LEU  3HD1 not found in molecular structure
 %READC-ERR: atom      388  LEU  1HD2 not found in molecular structure
 %READC-ERR: atom      388  LEU  2HD2 not found in molecular structure
 %READC-ERR: atom      388  LEU  3HD2 not found in molecular structure
 %READC-ERR: atom      389  ARG  H    not found in molecular structure
 %READC-ERR: atom      389  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      389  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      389  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      389  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      389  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      389  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      389  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      389  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      389  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      389  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      390  ARG  H    not found in molecular structure
 %READC-ERR: atom      390  ARG  2HB  not found in molecular structure
 %READC-ERR: atom      390  ARG  3HB  not found in molecular structure
 %READC-ERR: atom      390  ARG  2HG  not found in molecular structure
 %READC-ERR: atom      390  ARG  3HG  not found in molecular structure
 %READC-ERR: atom      390  ARG  2HD  not found in molecular structure
 %READC-ERR: atom      390  ARG  3HD  not found in molecular structure
 %READC-ERR: atom      390  ARG  1HH1 not found in molecular structure
 %READC-ERR: atom      390  ARG  2HH1 not found in molecular structure
 %READC-ERR: atom      390  ARG  1HH2 not found in molecular structure
 %READC-ERR: atom      390  ARG  2HH2 not found in molecular structure
 %READC-ERR: atom      391  GLU  H    not found in molecular structure
 %READC-ERR: atom      391  GLU  2HB  not found in molecular structure
 %READC-ERR: atom      391  GLU  3HB  not found in molecular structure
 %READC-ERR: atom      391  GLU  2HG  not found in molecular structure
 %READC-ERR: atom      391  GLU  3HG  not found in molecular structure
 %READC-ERR: atom      392  PRO  2HB  not found in molecular structure
 %READC-ERR: atom      392  PRO  3HB  not found in molecular structure
 %READC-ERR: atom      392  PRO  2HG  not found in molecular structure
 %READC-ERR: atom      392  PRO  3HG  not found in molecular structure
 %READC-ERR: atom      392  PRO  2HD  not found in molecular structure
 %READC-ERR: atom      392  PRO  3HD  not found in molecular structure
 %READC-ERR: atom      393  GLY  H    not found in molecular structure
 %READC-ERR: atom      393  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      393  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      394  GLY  H    not found in molecular structure
 %READC-ERR: atom      394  GLY  2HA  not found in molecular structure
 %READC-ERR: atom      394  GLY  3HA  not found in molecular structure
 %READC-ERR: atom      394  GLY  O    not found in molecular structure
 COOR>END 
 CNSsolve>parameter @TOPPAR:parallhdg5.3.pro end 
 PARRDR>! JFD adds FES complex parameters from Milo Westler's calculations 
 PARRDR>! and standard topology. 
 PARRDR> 
 PARRDR>remark file protein-allhdg-ucl.param version UCL date 07-JUL-01 
 PARRDR>remark for file protein-allhdg-ucl.top version UCL date 14-MAR-00 
 PARRDR>remark for file protein-allhdg-dih-ucl.top version UCL date 07-JUL-01 
 PARRDR>remark Geometric energy function parameters for distance geometry and 
 PARRDR>remark simulated annealing. 
 PARRDR>remark Original author: Michael Nilges, EMBL Heidelberg 
 PARRDR>remark Modifications: Mark A. Williams, UCL London 
 PARRDR> 
 PARRDR>set echo off message off end 
 SHOW: sum over selected elements =       2.000000
 CNSsolve> 
 CNSsolve> if ( $log_level = verbose ) then 
 CNSsolve>   set message=normal echo=on end 
 CNSsolve> else 
 CNSsolve>   set message=off echo=off end 
 CNSsolve> end if 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> identity (store1) (none) 
 SELRPN:      0 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve> identity (store1) (&atom_build) 
 SELRPN:   1166 atoms have been selected out of   2941
 CNSsolve> identity (store1) (store1 or hydrogen) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve> show sum(1) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 SHOW: sum over selected elements =    1466.000000
 CNSsolve> evaluate ($tobuild=$result) 
 EVALUATE: symbol $TOBUILD set to    1466.00     (real)
 CNSsolve> 
 CNSsolve> !evaluate ($tobuild=0) 
 CNSsolve> 
 CNSsolve> if ( $tobuild > 0 ) then 
 NEXTCD: condition evaluated as true
 CNSsolve> 
 CNSsolve>   fix selection=(not(store1)) end 
 SELRPN:   1475 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>   show sum(1) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 SHOW: sum over selected elements =    1466.000000
 CNSsolve>   evaluate ($moving=$result) 
 EVALUATE: symbol $MOVING set to    1466.00     (real)
 CNSsolve> 
 CNSsolve>   if ( $moving > 0 ) then 
 NEXTCD: condition evaluated as true
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 SELRPN:    188 atoms have been selected out of   2941
 FOR ID LOOP: symbol ID set to    1.00000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.112000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    5.11200     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.302250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.30225     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.898500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.89850     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    10.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.932000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    7.93200     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.178125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.17813     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.470875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.47088     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    21.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.120111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    11.1201     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.611333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.61133     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.832222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.832222     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    33.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.498500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    12.4985     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.952750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.95275     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.925000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.92500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    47.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.912500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.9125     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.770500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.770500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.444750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.44475     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    54.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.147875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.1479     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.456625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.456625     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.464500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.46450     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    68.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.126100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.1261     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.502800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.50280     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.846400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.84640     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    83.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.231667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.2317     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.446833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.44683     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.937167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.93717     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    93.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.572667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.5727     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.037000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.03700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.031000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.03100     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    103.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.906846
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.9068     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.417692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.417692     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.883615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.88362     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    127.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.977400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.9774     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.998500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.99850     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.518800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.5188     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    146.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.755308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.7553     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.900308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.900308     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.930692
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.9307     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    170.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.279824
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.2798     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.607941
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.60794     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.743000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.7430     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    190.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.597538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.5975     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.308923
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.308923     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.885692
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.8857     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    214.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.343875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.3439     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.730750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.73075     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.265000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.2650     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    225.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.152765
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.1528     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.462294
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.46229     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.035412
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.0354     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    245.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.612429
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.6124     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.939143
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.93914     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.260143
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.2601     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    263.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.120944
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.1209     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.233556
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.23356     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.692889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.6929     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    284.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.069500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.0695     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.071800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.07180     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.952000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.9520     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    299.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.770700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.7707     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.908500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.90850     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.989600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.9896     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    314.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.052667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.0527     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.790000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.79000     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.541500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.5415     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    324.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.811900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    13.8119     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.561000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.5610     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.608700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.6087     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    338.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.330500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.3305     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.738250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.7383     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.912250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.9123     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    345.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.292375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.2924     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.589625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5896     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.364750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.3648     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    359.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.247600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.2476     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.418900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.4189     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.613700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.6137     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    376.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.272600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.2726     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.255500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.2555     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.041800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.0418     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    391.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.503667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.5037     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.257500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.2575     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.090667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.0907     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    401.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.375700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.3757     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.741000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.7410     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.333800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.3338     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    420.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.258833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.2588     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.342667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3427     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.975167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.9752     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    430.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.503600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.5036     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.539200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.53920     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.718100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.7181     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    447.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.412200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.4122     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.295700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.29570     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.457100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.4571     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    466.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.181308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.1813     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.942077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.9421     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.983000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.9830     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    490.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.367300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.3673     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.056300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.0563     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.807500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.8075     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    505.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.404900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.4049     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.318800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.31880     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.220700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.2207     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    524.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.076875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.0769     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.729125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.72913     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.070750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.07075     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    535.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.614769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.6148     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.856462
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.8565     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.741846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.74185     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    559.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.659000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.6590     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.954800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.95480     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.875900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.87590     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    576.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.923952
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.9240     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.852238
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.85224     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.354333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.35433     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    600.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.073700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.0737     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.172100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.17210     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.008300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.00830     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    619.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.914308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.9143     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.174385
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.17438     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.685692
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.685692     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    643.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.322375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.3224     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.215500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.2155     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.600875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.600875     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    657.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.414800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.4148     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.643700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.6437     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.802700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.80270     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    672.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.250222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.2502     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.914556
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.91456     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.725222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.72522     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    688.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.833462
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.8335     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.592615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.59262     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.114769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.11477     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    712.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.481625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.4816     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.691750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6918     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.871250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.87125     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    723.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.548300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.5483     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.244900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.2449     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.347200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.34720     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    745.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.936600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.9366     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.207900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.20790     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.407200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.40720     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    760.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.459000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.4590     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.102100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.10210     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.625100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.62510     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    777.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.827778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.8278     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.349889
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.34989     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.026556
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.02656     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    794.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.027600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.0276     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.591200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.59120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.171100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.17110     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    813.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.400200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.4002     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.127000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.12700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.508700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.508700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    828.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.922600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.9226     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.745500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.74550     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.101800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.10180     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    847.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.172400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.1724     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.240800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.24080     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.159300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.15930     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    866.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.140222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1402     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.026778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.02678     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.352889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.35289     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    882.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.024700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.0247     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.752200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.75220     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.650800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.65080     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    901.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.587000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.5870     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.838900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.838900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.129800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.1298     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    916.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.273400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.2734     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.830400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.830400     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.704700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.7047     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    933.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.997176
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9972     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.512176
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.51218     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.937353
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.93735     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    953.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.825700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.8257     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.084000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.08400     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.503400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.5034     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    972.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.239750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.2398     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.328250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.32825     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.280500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.2805     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    979.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.375000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.3750     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.241667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.24167     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.983333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.9833     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    989.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.943200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9432     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.715800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.71580     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.475400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.4754     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1008.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.597625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.5976     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.239750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.2398     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.710125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.7101     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1022.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.234750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.2348     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.263875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.2639     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.836000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.8360     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1036.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.005700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.0057     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.874200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.8742     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.369300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.3693     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1051.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.550600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.5506     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.779400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.7794     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.541700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.5417     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1070.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.480700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.4807     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.644900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.64490     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.418300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.4183     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1087.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.693000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.6930     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.269500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.2695     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.794167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.7942     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1097.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.804538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.8045     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.445077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -16.4451     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.853846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.8538     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1121.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.946778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.9468     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.472556
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.4726     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.437889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.43789     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1137.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.944300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.9443     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.044800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.04480     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.265100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.2651     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1154.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.971500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.9715     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.040250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.0403     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.705250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.70525     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1161.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.179400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.1794     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.935900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.9359     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.880400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.88040     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1178.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.429000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.4290     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.255692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.25569     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.488308
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.48831     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1202.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.399750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.3998     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.503000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.50300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.634250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.63425     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1216.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.391500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.3915     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.659500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.65950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.981500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.98150     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1223.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.206750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2068     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.877750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.87775     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.630125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.63013     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1234.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.957750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.9578     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.016625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.01663     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.729500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.72950     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1248.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.397500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.3975     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.596200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.59620     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.081800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.08180     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1263.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.797600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.7976     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.817200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.81720     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.417900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.417900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1278.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.434500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.4345     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.495167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.49517     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.519333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.51933     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1288.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.951167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9512     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.039333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.03933     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.395000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.39500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1298.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.960500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.9605     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.168000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.1680     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.739333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.73933     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1308.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.394600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.3946     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.827400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.8274     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.577600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.57760     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1327.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.757556
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.7576     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.125000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.1250     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.155111
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.15511     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1343.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.900333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.9003     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.074000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.0740     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.905556
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.90556     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1355.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.004750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.0048     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.406750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.4068     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.296000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.29600     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1362.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.102800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.1028     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.945800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -16.9458     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.497100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.49710     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1381.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.298077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.2981     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.680692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.6807     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.730077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.73008     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1405.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.617308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.6173     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.090308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -21.0903     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.500154
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.50015     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1429.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.681400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.6814     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.613500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -22.6135     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.176000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.1760     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1444.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.848375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.8484     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.245000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -20.2450     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.604500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.6045     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1458.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.817750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.8178     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.380000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -21.3800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.949750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.9498     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1465.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.019000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.0190     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.825500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -24.8255     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.147500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.1475     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1472.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      51.185250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    51.1853     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.140250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.1403     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.236500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.23650     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1479.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      49.019125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    49.0191     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.465375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.4654     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.285000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.28500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1490.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.648000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.6480     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.837000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.8370     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.890556
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.89056     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1502.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.405875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.4059     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.556125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.5561     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.047750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.0478     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1516.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.818750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.8188     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.112500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.1125     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.581000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.5810     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1523.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.505375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.5054     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.213375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.2134     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.140000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.1400     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1537.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.437500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.4375     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.350200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3502     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.705900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.7059     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1552.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.838333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.8383     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.052667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.0527     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.484333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.4843     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1562.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.143500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.1435     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.048167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.0482     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.493333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.4933     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1572.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.438385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.4384     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.744154
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.74415     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.227615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.2276     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1596.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.276400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.2764     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.544000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.54400     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.412000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.4120     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1615.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.086077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.0861     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.321000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.32100     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.583000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.5830     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1639.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.040588
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.0406     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.026176
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.02618     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.963941
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.96394     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1659.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.856846
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.8568     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.505846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.50585     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.034000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.0340     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1683.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.002000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.0020     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.727750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.72775     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.574500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.5745     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1694.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.456059
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.4561     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.408118
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.408118     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.844176
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.8442     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1714.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.353643
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.3536     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.657143
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.65714     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.031071
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.0311     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1732.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.613889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.6139     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.966222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.96622     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.325056
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.3251     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1753.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.719600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.7196     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.030200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.03020     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.361300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.3613     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1768.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.714800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.7148     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.823400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.8234     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.148600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.1486     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1783.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      47.980500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    47.9805     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.818167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.8182     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.143500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.14350     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1793.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      47.034500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    47.0345     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.528600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.52860     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.507400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.50740     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1807.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.518250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.5182     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.738500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.73850     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.273500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.27350     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1814.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.183500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.1835     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.997750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.99775     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.787125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.78713     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1828.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.153700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.1537     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.153900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.15390     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.532000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.532000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1845.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.322100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.3221     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.891400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.89140     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.288900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.28890     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1860.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.305000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.3050     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.832000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.83200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.437167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.43717     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1870.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.737200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.7372     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.319100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.31910     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.306000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.30600     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1889.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.059333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.0593     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.463500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.463500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.288000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.28800     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1899.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.554300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.5543     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.995000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.995000     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.664500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.66450     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1916.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.817800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.8178     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.742000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.74200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.683900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.68390     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1935.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.030308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.0303     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.533000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.53300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.281385
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.281385     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1959.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.303500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.3035     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.550300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.55030     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.839900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.83990     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1974.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.087000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.0870     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.809600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.80960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.936800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.93680     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1993.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.878000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.8780     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.692250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.69225     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.119625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.11962     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2004.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.896154
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.8962     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.752077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.7521     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.402462
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.40246     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2028.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.464000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.4640     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.841900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.8419     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.925000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.92500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2045.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.151095
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.1511     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.982333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.9823     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.589333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.58933     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2069.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.992000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.9920     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.323200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.3232     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.958700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.95870     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2088.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.303692
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.3037     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.187692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.1877     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.995846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.99585     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2112.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.862125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.8621     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.524000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.5240     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.100000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.100000E+00 (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2126.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.104800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1048     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.468600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.4686     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.455600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.45560     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2141.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.321000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.3210     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.154000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    20.1540     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.525222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.52522     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2157.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.889538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.8895     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.197615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.1976     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.212846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.21285     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2181.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.264000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2640     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.339375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.3394     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.784375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.78438     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2192.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.603300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.6033     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.237300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.2373     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.907100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.907100     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2214.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.421500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.4215     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.390000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.3900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.114500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.11450     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2229.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.243700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2437     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.037800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.0378     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.662900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.66290     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2246.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.755667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.7557     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.018889
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.0189     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.518778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.51878     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2263.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.906300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.9063     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.129500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.1295     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.356300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.35630     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2282.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.918000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.9180     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.527300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.5273     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.795600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.7956     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2297.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.758200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.7582     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.526000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.5260     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.131500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.1315     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2316.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.189300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.1893     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.421500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.42150     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.366200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.3662     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2335.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.467556
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.4676     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.447556
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.4476     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.679000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.6790     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2351.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.416800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.4168     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.751300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.7513     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.847800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.8478     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2370.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.107400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.1074     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.015200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.01520     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.832600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.8326     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2385.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.713100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.7131     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.804400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.80440     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.580500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.5805     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2402.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.416235
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.4162     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.417118
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.41712     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.843176
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.8432     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2422.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.077000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.0770     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.827000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.82700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.054300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.0543     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2441.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.293250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.2933     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.357500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.35750     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.749500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.7495     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2448.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.382333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.3823     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.353000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.35300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.260333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.2603     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2458.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.996200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.9962     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.949600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.94960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.906200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.9062     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2477.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.556625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.5566     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.435000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.43500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.168625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.1686     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2491.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.716500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.7165     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.168000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.16800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.297375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.2974     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2505.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.043000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.0430     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.324000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.32400     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.353000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.3530     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2520.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.250600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2506     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.471200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.47120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.404400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.4044     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2539.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.911500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.9115     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.134700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.13470     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.219300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.2193     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2556.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.291667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.2917     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.220500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.22050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.116333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.1163     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2566.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.281154
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.2812     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.920846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.92085     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -31.671231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -31.6712     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2590.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.539667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.5397     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.785667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.7857     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.274333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.2743     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2606.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.802000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.8020     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.239300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.23930     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.882500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.8825     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2623.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.818500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.8185     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.064250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.0643     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.660500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.6605     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2630.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.012500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.0125     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.514000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.5140     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.202700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.2027     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2647.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.065308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.0653     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.786308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.7863     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.779769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.7798     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2671.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.177250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.1773     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.942875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.9429     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.592750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.5928     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2685.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.378250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.3783     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.549000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.5490     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.797750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.7978     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2692.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.412750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.4128     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.400250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.4003     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.329125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.3291     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2703.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.912250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.9123     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.476625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.4766     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.594000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.5940     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2717.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.950500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.9505     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.260200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.2602     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.562100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.5621     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2732.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.473100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.4731     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.586700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.5867     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.092100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.0921     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2747.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.770333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.7703     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.327500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.3275     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.077167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.0772     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2757.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.237667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.2377     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.920667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.9207     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.122333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.1223     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2767.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.351833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.3518     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.493833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.4938     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.499333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.4993     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2777.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.567100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.5671     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.429400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4294     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.189900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.1899     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2796.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.800778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.8008     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.209778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.2098     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.850889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.8509     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2812.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.384889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.3849     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.255000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.2550     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.665000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.6650     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2824.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.081250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.0813     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.141250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.1413     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.724250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.7243     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2831.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.540600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.5406     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.310700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.3107     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.579000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.5790     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2850.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.209846
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.2098     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.643692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.6437     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.581385
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.5814     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2874.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.554615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.5546     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.174308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.1743     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -37.511846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -37.5118     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2898.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.415100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.4151     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.779400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.7794     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -38.905300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -38.9053     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2913.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.664125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.6641     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.697625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.69762     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -37.680375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -37.6804     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2927.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.603500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.6035     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.004750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.00475     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -39.272250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -39.2723     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2934.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.324333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.3243     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.511667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.51167     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =     -42.150000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -42.1500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 CNSsolve>       evaluate ($ave_x=$result) 
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 CNSsolve>       evaluate ($ave_y=$result) 
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 CNSsolve>       evaluate ($ave_z=$result) 
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve> 
 CNSsolve>     do (x=x+random(2.0)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (y=y+random(2.0)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (z=z+random(2.0)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     {- start parameter for the side chain building -} 
 CNSsolve>     parameter 
 PARRDR>       nbonds 
 NBDSET>         rcon=20. nbxmod=-2 repel=0.9  wmin=0.1 tolerance=1. 
 NBDSET>         rexp=2 irexp=2 inhibit=0.25 
 NBDSET>       end 
 PARRDR>     end 
 CNSsolve> 
 CNSsolve>     {- Friction coefficient, in 1/ps. -} 
 CNSsolve>     do (fbeta=100) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     evaluate ($bath=300.0) 
 EVALUATE: symbol $BATH set to    300.000     (real)
 CNSsolve>     evaluate ($nstep=500) 
 EVALUATE: symbol $NSTEP set to    500.000     (real)
 CNSsolve>     evaluate ($timestep=0.0005) 
 EVALUATE: symbol $TIMESTEP set to   0.500000E-03 (real)
 CNSsolve> 
 CNSsolve>     do (refy=mass) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     do (mass=20) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     igroup interaction 
 SELRPN>       (store1) (store1 or known) 
 SELRPN:   1466 atoms have been selected out of   2941
 SELRPN:   2941 atoms have been selected out of   2941
 IGROup>     end 
 CNSsolve> 
 CNSsolve>     {- turn on initial energy terms -} 
 CNSsolve>     flags exclude * include bond angle vdw end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=50  nprint=10 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: generating intra-molecular exclusion list with mode=-2
 MAKINB: mode  -2 found   1466 exclusions and      0 interactions(1-4)
 %atoms "    -10  -ARG -HG1 " and "    -10  -ARG -HG2 " only  0.07 A apart
 %atoms "    -16  -PHE -HB2 " and "    -16  -PHE -HZ  " only  0.04 A apart
 %atoms "    -21  -ALA -HA  " and "    -21  -ALA -HB1 " only  0.05 A apart
 %atoms "    -22  -THR -HA  " and "    -22  -THR -HG23" only  0.09 A apart
 %atoms "    -30  -GLN -HN  " and "    -30  -GLN -HE22" only  0.08 A apart
 %atoms "    -44  -ARG -HN  " and "    -44  -ARG -HH22" only  0.04 A apart
 %atoms "    -51  -GLU -HN  " and "    -51  -GLU -HG1 " only  0.09 A apart
 %atoms "    -59  -LEU -HB2 " and "    -59  -LEU -HD11" only  0.09 A apart
 %atoms "    -62  -LEU -HB1 " and "    -62  -LEU -HD12" only  0.06 A apart
 %atoms "    -74  -ARG -HB1 " and "    -74  -ARG -HB2 " only  0.06 A apart
 %atoms "    -84  -LEU -HD13" and "    -84  -LEU -HD23" only  0.09 A apart
 %atoms "    -85  -VAL -HG11" and "    -85  -VAL -HG22" only  0.08 A apart
 %atoms "    -310 -ARG -HE  " and "    -310 -ARG -HH21" only  0.08 A apart
 %atoms "    -318 -TYR -HB2 " and "    -318 -TYR -HD2 " only  0.09 A apart
 %atoms "    -352 -LEU -HA  " and "    -352 -LEU -HD11" only  0.02 A apart
 %atoms "    -353 -LEU -HB2 " and "    -353 -LEU -HD21" only  0.09 A apart
 %atoms "    -354 -VAL -HG12" and "    -354 -VAL -HG22" only  0.10 A apart
 %atoms "    -355 -LEU -HA  " and "    -355 -LEU -HG  " only  0.07 A apart
 %atoms "    -355 -LEU -HA  " and "    -355 -LEU -HD12" only  0.09 A apart
 %atoms "    -358 -PHE -HD1 " and "    -358 -PHE -HD2 " only  0.09 A apart
 %atoms "    -363 -PRO -HB2 " and "    -363 -PRO -HG2 " only  0.08 A apart
 %atoms "    -370 -VAL -HN  " and "    -370 -VAL -HG12" only  0.03 A apart
 %atoms "    -389 -ARG -HB1 " and "    -389 -ARG -HG1 " only  0.10 A apart
 %atoms "    -389 -ARG -HB2 " and "    -389 -ARG -HH22" only  0.10 A apart
 NBONDS: found   206925 intra-atom interactions
 NBONDS: found       24 nonbonded violations
 NBONDS: found   206899 intra-atom interactions
 %atoms "    -87  -GLY -HN  " and "    -87  -GLY -HA2 " only  0.08 A apart
 NBONDS: found   199058 intra-atom interactions
 NBONDS: found        1 nonbonded violations
 NBONDS: found   203188 intra-atom interactions
 NBONDS: found   200589 intra-atom interactions
 NBONDS: found   202296 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=    0.0005 -----------------------
 | Etotal =752395.206 grad(E)=573.974    E(BOND)=115854.345 E(ANGL)=355899.400 |
 | E(VDW )=280641.461                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   202824 intra-atom interactions
 NBONDS: found   203111 intra-atom interactions
 NBONDS: found   203234 intra-atom interactions
 NBONDS: found   203549 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0006 -----------------------
 | Etotal =261698.237 grad(E)=345.635    E(BOND)=52545.147  E(ANGL)=87457.315  |
 | E(VDW )=121695.775                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   203588 intra-atom interactions
 NBONDS: found   203620 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0006 -----------------------
 | Etotal =206944.099 grad(E)=305.699    E(BOND)=35233.078  E(ANGL)=58874.422  |
 | E(VDW )=112836.599                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   203644 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0008 -----------------------
 | Etotal =202571.980 grad(E)=303.739    E(BOND)=35385.188  E(ANGL)=56863.955  |
 | E(VDW )=110322.837                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   203650 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0008 -----------------------
 | Etotal =202121.791 grad(E)=303.620    E(BOND)=35359.245  E(ANGL)=56786.775  |
 | E(VDW )=109975.771                                                          |
 -------------------------------------------------------------------------------
 POWELL: STEP number limit. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     do (vx=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vy=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vz=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     flags exclude vdw include impr end 
 CNSsolve> 
 CNSsolve>     dynamics cartesian 
 Cartesian Dynamics>       nstep=50 
 Cartesian Dynamics>       timestep=$timestep 
 Cartesian Dynamics>       tcoupling=true temperature=$bath 
 DCART: temperature coupling (TCOUpling) enabled
 Cartesian Dynamics>       nprint=$nstep 
 Cartesian Dynamics>       cmremove=false 
 Cartesian Dynamics>     end 
 -------------------------- Cartesian dynamics start ---------------------------
 | E(kin)+E(total)=931042.855      E(kin)=1331.451      temperature=304.691    |
 | Etotal =929711.404 grad(E)=622.212    E(BOND)=35359.245  E(ANGL)=56786.775  |
 | E(IMPR)=837565.385                                                          |
 -------------------------------------------------------------------------------
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=591942.411      E(kin)=101158.897    temperature=23149.374  |
 | Etotal =490783.515 grad(E)=346.474    E(BOND)=56018.525  E(ANGL)=190147.185 |
 | E(IMPR)=244617.804                                                          |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.73752      4.26208    -12.08213
         velocity [A/ps]       :      2.05995     -0.08657     -2.12230
         ang. mom. [amu A/ps]  :-724641.72594-238731.24577-179764.15121
         kin. ener. [Kcal/mol] :    306.76131
 CNSsolve> 
 CNSsolve>     flags include vdw end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=50 nprint=10 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: found   203611 intra-atom interactions
 NBONDS: found   203567 intra-atom interactions
 NBONDS: found   203545 intra-atom interactions
 NBONDS: found   203597 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=   -0.0001 -----------------------
 | Etotal =470006.412 grad(E)=328.692    E(BOND)=41979.140  E(ANGL)=101617.717 |
 | E(IMPR)=236962.040 E(VDW )=89447.514                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203623 intra-atom interactions
 NBONDS: found   203658 intra-atom interactions
 NBONDS: found   203661 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0000 -----------------------
 | Etotal =334704.273 grad(E)=263.066    E(BOND)=37452.521  E(ANGL)=57393.545  |
 | E(IMPR)=156374.469 E(VDW )=83483.738                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203735 intra-atom interactions
 NBONDS: found   203725 intra-atom interactions
 NBONDS: found   203726 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0002 -----------------------
 | Etotal =278427.106 grad(E)=264.221    E(BOND)=35758.483  E(ANGL)=47749.583  |
 | E(IMPR)=115287.305 E(VDW )=79631.734                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203815 intra-atom interactions
 NBONDS: found   203714 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0002 -----------------------
 | Etotal =227632.491 grad(E)=252.646    E(BOND)=31577.672  E(ANGL)=32856.342  |
 | E(IMPR)=87537.995  E(VDW )=75660.482                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203735 intra-atom interactions
 NBONDS: found   203723 intra-atom interactions
 NBONDS: found   203734 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0000 -----------------------
 | Etotal =206832.536 grad(E)=249.739    E(BOND)=32480.291  E(ANGL)=28093.213  |
 | E(IMPR)=73939.737  E(VDW )=72319.295                                        |
 -------------------------------------------------------------------------------
 POWELL: STEP number limit. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     do (vx=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vy=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vz=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     dynamics cartesian 
 Cartesian Dynamics>       nstep=50 
 Cartesian Dynamics>       timestep=$timestep 
 Cartesian Dynamics>       tcoupling=true temperature=$bath 
 DCART: temperature coupling (TCOUpling) enabled
 Cartesian Dynamics>       nprint=$nstep 
 Cartesian Dynamics>       cmremove=false 
 Cartesian Dynamics>     end 
 -------------------------- Cartesian dynamics start ---------------------------
 | E(kin)+E(total)=208131.584      E(kin)=1299.049      temperature=297.276    |
 | Etotal =206832.536 grad(E)=249.739    E(BOND)=32480.291  E(ANGL)=28093.213  |
 | E(IMPR)=73939.737  E(VDW )=72319.295                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203727 intra-atom interactions
 NBONDS: found   203687 intra-atom interactions
 NBONDS: found   203747 intra-atom interactions
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=200031.227      E(kin)=6535.305      temperature=1495.550   |
 | Etotal =193495.922 grad(E)=256.186    E(BOND)=33958.047  E(ANGL)=25969.093  |
 | E(IMPR)=62205.599  E(VDW )=71363.182                                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.74585      4.27983    -12.08095
         velocity [A/ps]       :     -0.01646     -0.06072      0.20688
         ang. mom. [amu A/ps]  :  26977.43862  43265.54721   8968.19667
         kin. ener. [Kcal/mol] :      1.63822
 CNSsolve> 
 CNSsolve>     parameter 
 PARRDR>       nbonds 
 NBDSET>         rcon=2. nbxmod=-3 repel=0.75 
 NBDSET>       end 
 PARRDR>     end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=100 nprint=25 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: generating intra-molecular exclusion list with mode=-3
 MAKINB: mode  -3 found   4818 exclusions and      0 interactions(1-4)
 NBONDS: found   200406 intra-atom interactions
 NBONDS: found   201126 intra-atom interactions
 NBONDS: found   201177 intra-atom interactions
 NBONDS: found   201103 intra-atom interactions
 NBONDS: found   201144 intra-atom interactions
 --------------- cycle=    25 ------ stepsize=    0.0002 -----------------------
 | Etotal =48835.018  grad(E)=41.606     E(BOND)=1614.081   E(ANGL)=14321.658  |
 | E(IMPR)=32895.082  E(VDW )=4.197                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   201083 intra-atom interactions
 NBONDS: found   201114 intra-atom interactions
 NBONDS: found   201073 intra-atom interactions
 NBONDS: found   201004 intra-atom interactions
 NBONDS: found   201007 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0001 -----------------------
 | Etotal =27823.153  grad(E)=51.105     E(BOND)=1447.866   E(ANGL)=11638.768  |
 | E(IMPR)=14707.816  E(VDW )=28.703                                           |
 -------------------------------------------------------------------------------
 NBONDS: found   201077 intra-atom interactions
 NBONDS: found   201097 intra-atom interactions
 NBONDS: found   201078 intra-atom interactions
 NBONDS: found   201035 intra-atom interactions
 NBONDS: found   200947 intra-atom interactions
 --------------- cycle=    75 ------ stepsize=    0.0003 -----------------------
 | Etotal =3986.549   grad(E)=25.884     E(BOND)=111.845    E(ANGL)=2283.161   |
 | E(IMPR)=1589.153   E(VDW )=2.390                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   201055 intra-atom interactions
 NBONDS: found   201020 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=    0.0000 -----------------------
 | Etotal =1976.003   grad(E)=15.294     E(BOND)=169.804    E(ANGL)=715.106    |
 | E(IMPR)=1090.816   E(VDW )=0.277                                            |
 -------------------------------------------------------------------------------
 POWELL: STEP number limit. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     do (vx=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vy=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vz=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     dynamics cartesian 
 Cartesian Dynamics>       nstep=$nstep 
 Cartesian Dynamics>       timestep=$timestep 
 Cartesian Dynamics>       tcoupling=true temperature=$bath 
 DCART: temperature coupling (TCOUpling) enabled
 Cartesian Dynamics>       nprint=$nstep 
 Cartesian Dynamics>       cmremove=false 
 Cartesian Dynamics>     end 
 -------------------------- Cartesian dynamics start ---------------------------
 | E(kin)+E(total)=3315.925        E(kin)=1339.922      temperature=306.630    |
 | Etotal =1976.003   grad(E)=15.294     E(BOND)=169.804    E(ANGL)=715.106    |
 | E(IMPR)=1090.816   E(VDW )=0.277                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   201030 intra-atom interactions
 NBONDS: found   201004 intra-atom interactions
 NBONDS: found   201031 intra-atom interactions
 NBONDS: found   200939 intra-atom interactions
 NBONDS: found   200980 intra-atom interactions
 NBONDS: found   201019 intra-atom interactions
 NBONDS: found   200955 intra-atom interactions
 NBONDS: found   200955 intra-atom interactions
 NBONDS: found   201030 intra-atom interactions
 NBONDS: found   201081 intra-atom interactions
 NBONDS: found   201010 intra-atom interactions
 NBONDS: found   200982 intra-atom interactions
 NBONDS: found   201016 intra-atom interactions
 NBONDS: found   200980 intra-atom interactions
 NBONDS: found   201072 intra-atom interactions
 NBONDS: found   201104 intra-atom interactions
 NBONDS: found   201035 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2575.590        E(kin)=1319.851      temperature=302.037    |
 | Etotal =1255.739   grad(E)=30.729     E(BOND)=505.813    E(ANGL)=676.391    |
 | E(IMPR)=72.268     E(VDW )=1.267                                            |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.74802      4.27425    -12.08686
         velocity [A/ps]       :      0.12076     -0.02923     -0.18615
         ang. mom. [amu A/ps]  : -30120.78881 -15101.09916  11487.69958
         kin. ener. [Kcal/mol] :      1.75504
 CNSsolve> 
 CNSsolve>     {- turn on all energy terms -} 
 CNSsolve>     flags include dihe ? end 
 EFLAGS: the following energy flags are set
 EFLAGS: BOND ANGL DIHE IMPR VDW 
 CNSsolve> 
 CNSsolve>     {- set repel to ~vdw radii -} 
 CNSsolve>     parameter 
 PARRDR>       nbonds 
 NBDSET>         repel=0.89 
 NBDSET>       end 
 PARRDR>     end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=500 nprint=50 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: generating intra-molecular exclusion list with mode=-3
 MAKINB: mode  -3 found   4818 exclusions and      0 interactions(1-4)
 NBONDS: found   201047 intra-atom interactions
 NBONDS: found   201044 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0011 -----------------------
 | Etotal =165.891    grad(E)=3.472      E(BOND)=1.059      E(ANGL)=52.761     |
 | E(DIHE)=62.251     E(IMPR)=2.529      E(VDW )=47.292                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   100 ------ stepsize=    0.0010 -----------------------
 | Etotal =129.157    grad(E)=3.177      E(BOND)=0.865      E(ANGL)=51.502     |
 | E(DIHE)=36.092     E(IMPR)=1.783      E(VDW )=38.915                        |
 -------------------------------------------------------------------------------
 NBONDS: found   201026 intra-atom interactions
 --------------- cycle=   150 ------ stepsize=    0.0010 -----------------------
 | Etotal =115.199    grad(E)=3.035      E(BOND)=0.666      E(ANGL)=50.845     |
 | E(DIHE)=26.705     E(IMPR)=1.446      E(VDW )=35.536                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0009 -----------------------
 | Etotal =110.167    grad(E)=3.014      E(BOND)=0.662      E(ANGL)=50.741     |
 | E(DIHE)=22.497     E(IMPR)=1.458      E(VDW )=34.810                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=    0.0010 -----------------------
 | Etotal =107.570    grad(E)=3.008      E(BOND)=0.648      E(ANGL)=50.739     |
 | E(DIHE)=21.025     E(IMPR)=1.445      E(VDW )=33.712                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0007 -----------------------
 | Etotal =107.063    grad(E)=3.005      E(BOND)=0.637      E(ANGL)=50.703     |
 | E(DIHE)=20.625     E(IMPR)=1.443      E(VDW )=33.656                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0009 -----------------------
 | Etotal =107.032    grad(E)=3.005      E(BOND)=0.634      E(ANGL)=50.702     |
 | E(DIHE)=20.618     E(IMPR)=1.445      E(VDW )=33.633                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   400 ------ stepsize=    0.0010 -----------------------
 | Etotal =107.030    grad(E)=3.005      E(BOND)=0.635      E(ANGL)=50.702     |
 | E(DIHE)=20.623     E(IMPR)=1.444      E(VDW )=33.626                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   450 ------ stepsize=    0.0008 -----------------------
 | Etotal =107.030    grad(E)=3.005      E(BOND)=0.635      E(ANGL)=50.702     |
 | E(DIHE)=20.619     E(IMPR)=1.444      E(VDW )=33.630                        |
 -------------------------------------------------------------------------------
 POWELL: Gradient converged. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     flags exclude * include bond angl impr dihe vdw end 
 CNSsolve> 
 CNSsolve>     {- return masses to something sensible -} 
 CNSsolve>     do (mass=refy) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     do (vx=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vy=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vz=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     dynamics cartesian 
 Cartesian Dynamics>       nstep=$nstep 
 Cartesian Dynamics>       timestep=$timestep 
 Cartesian Dynamics>       tcoupling=true temperature=$bath 
 DCART: temperature coupling (TCOUpling) enabled
 Cartesian Dynamics>       nprint=$nstep 
 Cartesian Dynamics>       cmremove=false 
 Cartesian Dynamics>     end 
 -------------------------- Cartesian dynamics start ---------------------------
 | E(kin)+E(total)=1450.406        E(kin)=1343.376      temperature=307.420    |
 | Etotal =107.030    grad(E)=3.005      E(BOND)=0.635      E(ANGL)=50.702     |
 | E(DIHE)=20.620     E(IMPR)=1.444      E(VDW )=33.630                        |
 -------------------------------------------------------------------------------
 NBONDS: found   201049 intra-atom interactions
 NBONDS: found   201195 intra-atom interactions
 NBONDS: found   201161 intra-atom interactions
 NBONDS: found   201126 intra-atom interactions
 NBONDS: found   201066 intra-atom interactions
 NBONDS: found   201029 intra-atom interactions
 NBONDS: found   201120 intra-atom interactions
 NBONDS: found   201042 intra-atom interactions
 NBONDS: found   201012 intra-atom interactions
 NBONDS: found   201068 intra-atom interactions
 NBONDS: found   201104 intra-atom interactions
 NBONDS: found   201153 intra-atom interactions
 NBONDS: found   201113 intra-atom interactions
 NBONDS: found   201121 intra-atom interactions
 NBONDS: found   201196 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2710.328        E(kin)=1446.265      temperature=330.966    |
 | Etotal =1264.063   grad(E)=33.361     E(BOND)=209.379    E(ANGL)=789.961    |
 | E(DIHE)=64.423     E(IMPR)=137.912    E(VDW )=62.388                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.70095      4.32313    -12.70259
         velocity [A/ps]       :     -0.12653      0.46002      0.38405
         ang. mom. [amu A/ps]  : -12021.83187  -1172.13629   7184.28769
         kin. ener. [Kcal/mol] :      0.67588
 CNSsolve> 
 CNSsolve>     {- some final minimisation -} 
 CNSsolve>     minimize powell 
 POWELL>       nstep=500 
 POWELL>       drop=40.0 
 POWELL>       nprint=50 
 POWELL>     end 
 POWELL: number of degrees of freedom=  4398
 --------------- cycle=    50 ------ stepsize=    0.0003 -----------------------
 | Etotal =130.965    grad(E)=3.176      E(BOND)=0.864      E(ANGL)=51.358     |
 | E(DIHE)=36.706     E(IMPR)=1.944      E(VDW )=40.094                        |
 -------------------------------------------------------------------------------
 NBONDS: found   201076 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=    0.0001 -----------------------
 | Etotal =114.516    grad(E)=3.074      E(BOND)=0.705      E(ANGL)=50.940     |
 | E(DIHE)=25.737     E(IMPR)=1.545      E(VDW )=35.590                        |
 -------------------------------------------------------------------------------
 NBONDS: found   201047 intra-atom interactions
 --------------- cycle=   150 ------ stepsize=    0.0005 -----------------------
 | Etotal =109.738    grad(E)=3.069      E(BOND)=0.759      E(ANGL)=50.947     |
 | E(DIHE)=21.701     E(IMPR)=1.511      E(VDW )=34.819                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0002 -----------------------
 | Etotal =106.151    grad(E)=3.024      E(BOND)=0.679      E(ANGL)=50.713     |
 | E(DIHE)=19.612     E(IMPR)=1.447      E(VDW )=33.701                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=   -0.0003 -----------------------
 | Etotal =105.309    grad(E)=3.021      E(BOND)=0.682      E(ANGL)=50.712     |
 | E(DIHE)=18.684     E(IMPR)=1.442      E(VDW )=33.789                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0001 -----------------------
 | Etotal =105.185    grad(E)=3.019      E(BOND)=0.678      E(ANGL)=50.700     |
 | E(DIHE)=18.710     E(IMPR)=1.440      E(VDW )=33.657                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0009 -----------------------
 | Etotal =105.183    grad(E)=3.018      E(BOND)=0.677      E(ANGL)=50.699     |
 | E(DIHE)=18.718     E(IMPR)=1.441      E(VDW )=33.648                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   400 ------ stepsize=   -0.0001 -----------------------
 | Etotal =105.183    grad(E)=3.018      E(BOND)=0.677      E(ANGL)=50.700     |
 | E(DIHE)=18.716     E(IMPR)=1.441      E(VDW )=33.650                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   450 ------ stepsize=    0.0008 -----------------------
 | Etotal =105.183    grad(E)=3.018      E(BOND)=0.677      E(ANGL)=50.700     |
 | E(DIHE)=18.715     E(IMPR)=1.441      E(VDW )=33.651                        |
 -------------------------------------------------------------------------------
 POWELL: Gradient converged. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     print thres=0.02 bonds 
 (atom-i        |atom-j        )    dist.   equil.   delta    energy   const. 

 Number of violations greater    0.020:     0
 RMS deviation=   0.001
 CNSsolve>     print thres=5. angles 
 (atom-i        |atom-j        |atom-k        )  angle    equil.     delta    energy  const. 

 Number of violations greater    5.000:     0
 RMS deviation=   0.315
 CNSsolve> 
 CNSsolve>   end if 
 CNSsolve> 
 CNSsolve>   fix selection=( none ) end 
 SELRPN:      0 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve> end if 
 CNSsolve> 
 CNSsolve> set echo=false end 
 SELRPN:      0 atoms have been selected out of   2941
 SHOW: zero atoms selected
 NEXTCD: condition evaluated as true
 SELRPN:      0 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve> if (&set_bfactor=true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   do (b=&bfactor) ( all ) 
 CNSsolve> else 
 CNSsolve>   show ave(b) (known and not(store1)) 
 SELRPN:   1475 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.745912
 CNSsolve>   do (b=$result) (store1 and (attr b < 0.01)) 
 SELRPN:   1167 atoms have been selected out of   2941
 CNSsolve> end if 
 CNSsolve> 
 CNSsolve> if (&set_occupancy=true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   do (q=&occupancy) ( all ) 
 CNSsolve> end if 
 CNSsolve> 
 CNSsolve> set echo=false end 
 SELRPN:   1466 atoms have been selected out of   2941
 SHOW: sum over selected elements =    1466.000000
 NEXTCD: condition evaluated as false
 CNSsolve> 
 CNSsolve> set remarks=reset end 
 CNSsolve> 
 CNSsolve> buffer message 
 BUFFER>   to=remarks 
 BUFFER>   dump 
 BUFFER> end 
 CNSsolve> 
 CNSsolve>   write coordinates output=&coordinate_outfile end 
 ASSFIL: file 1xxx_8_cns.pdb opened.
 CNSsolve> 
 CNSsolve>stop 
 HEAP: maximum use      =     1860156 current use      =           0 bytes
 HEAP: maximum overhead =        1008 current overhead =          64 bytes
          ============================================================
           Maximum dynamic memory allocation:     1860156 bytes
           Maximum dynamic memory overhead:          1008 bytes
           Program started at: 15:57:20 on 21-Dec-05  
           Program stopped at: 15:58:17 on 21-Dec-05
           CPU time used:      56.3400 seconds
          ============================================================