============================================================
          |                                                          |
          |            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: 15:47:19 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_17.pdb"; 
 DEFINE> 
 DEFINE>{* output coordinate file *} 
 DEFINE>{===>} coordinate_outfile="1xxx_17_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 17 
 COOR>ATOM      1    N GLY A   1       4.374  -1.586   3.830  1.00 34.14 
 %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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.741250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    5.74125     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.852000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.85200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.197000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.19700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.580375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    8.58038     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.472250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.47225     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.066125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.06613     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.613778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    11.6138     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.594556
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.59456     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.153222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.153222     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.075125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    12.0751     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.636250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.63625     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.147500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.14750     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.434000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.4340     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.819250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.81925     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.641250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.64125     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.636500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.6365     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.533125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.533125     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.948250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.94825     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.128000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.1280     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.121400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.12140     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.524500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.52450     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.918167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.9182     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.283667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.28367     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.637000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.63700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.545667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.5457     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.192000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.19200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.620667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.62067     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.701231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.7012     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.709769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.709769     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.471308
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.4713     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.751000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.7510     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.753900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.75390     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.255700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.2557     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.725615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    13.7256     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.339846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.339846     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.650462
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.6505     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.710529
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.7105     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.595471
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.59547     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.060588
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.0606     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.277077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.2771     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.247769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.24777     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.073231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.0732     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.028875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.0289     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.152625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.15263     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.324000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.3240     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.947529
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.9475     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.285235
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.28524     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.320176
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.3202     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.373071
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.3731     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.146571
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.14657     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.703500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.7035     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.316389
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.3164     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.296278
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.29628     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.887500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.8875     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.145800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.1458     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.442700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.44270     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.241200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.2412     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.341900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.3419     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.896100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.89610     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -31.324800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -31.3248     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.323833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.3238     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.367167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3672     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.821000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.8210     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.889900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    13.8899     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.045000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.0450     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.924000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.9240     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.523750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.5238     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.980000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.9800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.945750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.9458     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.432750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.4328     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.580000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.5800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.187375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.1874     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.429100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.4291     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.313400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.3134     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.264000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.2640     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.333400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.3334     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.350600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.3506     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.055000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.0550     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.395500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.3955     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.024333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.0243     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.316667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.3167     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.201300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.2013     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.223900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.2239     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.185200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.1852     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.974667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.9747     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.749167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.7492     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.989333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.9893     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.222300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.2223     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.042100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.0421     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.193200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.1932     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.022900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.0229     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.646600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.64660     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.648600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.6486     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.654615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.6546     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.789692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.7897     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.907769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.9078     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.891600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    13.8916     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.375800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3758     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.266200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.2662     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.721800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.7218     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.465400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.46540     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.885900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.8859     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.751500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.7515     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.781375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.78138     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.345375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.3454     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.077615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.0776     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.662077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6621     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.115769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.11577     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.583100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.5831     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.294000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.29400     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.148800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.14880     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.075952
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.0760     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.241762
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.24176     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.593524
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.59352     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.884700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.8847     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.451700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.45170     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.809400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.80940     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.554154
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.5542     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.589077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.58908     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.589846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.58985     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.946875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.9469     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.501000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.5010     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.526625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.52663     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.972700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.9727     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.505000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.5050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.274200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.274200     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.609667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.6097     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.339111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.33911     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.954111
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.95411     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.128077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.1281     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.984462
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.98446     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.114923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.11492     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.681125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.6811     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.302625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3026     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.140625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.14063     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.930800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.9308     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.615300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.6153     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.785100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.785100     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.278400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.2784     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.648800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.64880     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.779700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.77970     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.585500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.5855     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.346100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.34610     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.814000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.81400     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.378778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.3788     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.773444
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.77344     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.628222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.62822     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.504300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.5043     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.235600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.23560     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.451000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.45100     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.058800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.0588     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.729600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.72960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.719500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.719500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.822800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.8228     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.188600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.18860     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.463900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.46390     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.176300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.1763     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.629000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.62900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.427800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.42780     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.991000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.9910     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.352778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.35278     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.635444
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.63544     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.770700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.7707     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.270300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.27030     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.132200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.13220     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.872900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.8729     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.327100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.327100     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.585200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.5852     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.151300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.1513     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.229700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.229700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.248500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.2485     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.859176
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.8592     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.094882
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.09488     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.330353
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.33035     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.217500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.2175     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.427800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.42780     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.302900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.3029     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.103500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1035     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.184750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.18475     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.064250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.0643     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.133667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1337     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.156167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.15617     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.255500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.2555     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.519900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.5199     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.579600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.57960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.816600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.8166     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.633250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.6333     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.233625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.2336     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.808250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.8083     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.754000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.7540     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.403375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.4034     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.197875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.1979     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.150900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.1509     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.909000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.9090     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.496300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.4963     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.126000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1260     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.648900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.6489     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.884300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.8843     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.400400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.4004     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.592800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.59280     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.363200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.3632     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.690167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.6902     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.253167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.2532     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.979833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.9798     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.199385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.1994     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.030077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.0301     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.132769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.1328     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.139222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.1392     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.979111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.9791     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.903667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.90367     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.539600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.5396     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.918000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.91800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.583800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.5838     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.291500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.2915     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.753750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.7538     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.413500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.4135     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.336600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.3366     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.344400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.3444     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.873600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.87360     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.669615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.6696     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.461077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.46108     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.482077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.48208     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.870500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.8705     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.908250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.90825     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.251875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.25188     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.829000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.8290     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.029500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.02950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.879000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.87900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.376250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.3763     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.151250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.15125     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.234750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.23475     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.325875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.3259     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.506500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.50650     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.865125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.86513     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.152000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.1520     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.771700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.77170     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.201900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.20190     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.915400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.9154     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.191200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.19120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.525900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.525900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.049667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.0497     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.983000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.98300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.366167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.36617     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.354833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.3548     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.595000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.59500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.749000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.74900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.047500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.0475     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.666667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.6667     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.211333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.21133     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.881200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.8812     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.297800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.2978     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.370600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.37060     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.589111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.5891     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.734111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.7341     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.463111
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.46311     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.194333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1943     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.727778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.7278     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.784889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.78489     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.397750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.3978     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.025750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -18.0258     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.429750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.42975     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.039400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.0394     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.614800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.6148     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.881700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.88170     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.748538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.7485     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.944000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.9440     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.124538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.12454     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.833615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.8336     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.883077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -22.8831     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.141308
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.14131     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.572700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.5727     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.274200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -20.2742     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.031800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.03180     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.558750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.5588     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.638750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -18.6388     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.096000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.09600     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      48.030500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    48.0305     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.200000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.2000     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.880500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.88050     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      50.991500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    50.9915     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.193250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.1933     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.286250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.28625     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      47.083750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    47.0838     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.859750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    25.8598     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.396750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.39675     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.192625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.1926     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.611875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    24.6119     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.010125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.0101     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.654889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.6549     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.281222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    21.2812     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.675444
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.67544     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.721125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.7211     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.776500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.7765     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.632000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.6320     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.280000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.2800     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.201500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.2015     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.801750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.8018     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.125750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1258     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.772125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.7721     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.664875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.6649     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.324200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.3242     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.318200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.3182     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.692900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.6929     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.504500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.5045     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.597500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5975     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.418500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.4185     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.432500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.4325     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.518833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.5188     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.596333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.5963     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.496231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.4962     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.927846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.92785     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.145692
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.1457     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.399900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.3999     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.029000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.02900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.394300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.3943     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.627692
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.6277     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.882615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.88262     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.995615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.9956     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.124294
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1243     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.432647
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.43265     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.670118
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.67012     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.973923
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9739     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.476923
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.47692     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.974615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.9746     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.383250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.3833     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.575500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.57550     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.477125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.4771     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.472000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.4720     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.973176
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.973176     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.650647
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.65065     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.887786
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.8878     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.245429
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.24543     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.258929
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.2589     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.693778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.6938     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.686167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.68617     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.137500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.13750     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.770500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.7705     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.520700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.52070     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.413000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.41300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.528800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.5288     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.787500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.7875     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.972300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.97230     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      46.874000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    46.8740     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.237500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.2375     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.878667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.87867     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.650400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.6504     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.010000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.01000     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.372600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.37260     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.095750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.0958     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.181750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.18175     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.640750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.64075     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.726625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.7266     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.430375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.43038     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.614125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.61413     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.167800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.1678     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.480900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.48090     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.560500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.560500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.482800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.4828     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.195400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.19540     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.568700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.568700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.901667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.9017     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.372167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.37217     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.242833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.24283     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.141700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1417     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.709600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.70960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.612500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.61250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.214000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.2140     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.199667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.199667     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.368000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.368000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.051100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.0511     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.487800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.487800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.512000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.51200     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.529000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.5290     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.246500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.24650     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.971000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.97100     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.406615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.4066     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.568385
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.56838     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.000538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.538462E-03 (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.484600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.4846     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.036100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.03610     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.861900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.86190     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.925800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.9258     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.156500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.15650     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.183300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.18330     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.118250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.1183     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.185250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.18525     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.674000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.67400     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.807923
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.8079     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.201000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.2010     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.176923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.17692     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.222100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.2221     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.787400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.7874     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.772900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.77290     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.175571
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1756     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.475143
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.4751     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.989429
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.98943     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.768300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.7683     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.184100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.1841     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.407200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.40720     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.932769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.9328     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.471692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4717     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.135615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.13562     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.294375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.2944     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.223125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.2231     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.433875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.433875     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.384700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.3847     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.840900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.8409     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.194300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.19430     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.797778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.7978     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.852111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    19.8521     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.687778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.68778     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.704538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.7045     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.975538
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.9755     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.351923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.35192     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.767875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.7679     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.758750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.7588     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.046500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.04650     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.960700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.9607     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.127700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.1277     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.404100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.40410     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.139300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.1393     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.558500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.5585     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.406000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.40600     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.548900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.5489     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.738800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.7388     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.197400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.19740     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.618444
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.6184     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.731444
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.7314     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.119000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.11900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.979000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.9790     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.822200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.8222     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.177200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.17720     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.068900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.0689     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.365800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3658     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.473400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.4734     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.801700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.8017     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.467100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.4671     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.619100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.6191     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.345300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.3453     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.283800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.28380     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.250100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.2501     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.003889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.0039     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.225778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.2258     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.771778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.7718     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.298600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2986     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.664400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6644     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.438500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.4385     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.988100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.9881     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.772600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.77260     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.979200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.9792     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.394500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.3945     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.674800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.67480     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.044600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.0446     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.330235
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.3302     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.075882
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.0759     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.672353
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.6724     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.678000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.6780     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.298600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.29860     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.486600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.4866     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.918250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.9183     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.752000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.75200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.002750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.0028     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.119333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.1193     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.055000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.05500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.693000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.6930     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.950000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.9500     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.781200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.78120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.055400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.0554     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.525625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.5256     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.517875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.51788     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.491125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.4911     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.612875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.6129     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.187625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.18763     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.684125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.6841     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.230500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2305     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.609500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.60950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -33.498700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -33.4987     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.484900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.4849     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.535400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.53540     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.324700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.3247     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.809400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.8094     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.719800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.71980     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.235800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.2358     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.362000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.3620     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.866000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.86600     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.908833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.9088     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.937385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.9374     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.490308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.4903     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -31.968462
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -31.9685     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.732333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.7323     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.011111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.0111     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.562889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.5629     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.723600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.7236     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.877600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.87760     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.320800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.3208     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.002750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.0028     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.550500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5505     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.725000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.7250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.811100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.8111     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.450900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4509     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.934000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.9340     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.704231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.7042     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.690538
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.6905     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.289000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.2890     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.245375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.2454     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.183000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.1830     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.508750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.5088     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.245500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.2455     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.403250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4033     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.823500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.8235     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.414375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.4144     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.336125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.3361     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.383000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.3830     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.833500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.8335     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.609625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.6096     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.161125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.1611     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.095300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.0953     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.541200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.5412     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.733100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.7331     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.667900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.6679     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.030800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    19.0308     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.167700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.1677     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.873500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.8735     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.896000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.8960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.458500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.4585     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.472833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.4728     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.768667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.7687     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.719167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.7192     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.917000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.9170     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.410167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.4102     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.827500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.8275     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.054400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.0544     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.197100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.1971     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.405900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.4059     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.174222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.1742     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.199333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.1993     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.483444
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.4834     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.091667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.0917     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.554889
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.5549     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.362333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.3623     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.041750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.0418     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.430750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.4308     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -33.207500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -33.2075     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.280700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2807     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.442800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.4428     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -33.131800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -33.1318     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.089077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.0891     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.200615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.2006     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.993000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.9930     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.298385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.2984     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.365000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3650     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -39.876308
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -39.8763     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.508800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.5088     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.879900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.8799     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -38.812600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -38.8126     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.377375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.3774     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.648500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.6485     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -37.293625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -37.2936     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.528500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.5285     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.329000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3290     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -35.047000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -35.0470     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.998000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    11.9980     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.697667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.69767     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =     -36.200667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -36.2007     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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   207647 intra-atom interactions
 NBONDS: found       24 nonbonded violations
 %atoms "    -318 -TYR -HE1 " and "    -318 -TYR -HH  " only  0.10 A apart
 %atoms "    -346 -LYS -HG1 " and "    -346 -LYS -HD2 " only  0.03 A apart
 NBONDS: found   207658 intra-atom interactions
 NBONDS: found        2 nonbonded violations
 NBONDS: found   199428 intra-atom interactions
 NBONDS: found   203361 intra-atom interactions
 NBONDS: found   200637 intra-atom interactions
 NBONDS: found   201615 intra-atom interactions
 NBONDS: found   202463 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=    0.0004 -----------------------
 | Etotal =759995.629 grad(E)=570.028    E(BOND)=115129.172 E(ANGL)=359200.256 |
 | E(VDW )=285666.202                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   203328 intra-atom interactions
 NBONDS: found   203380 intra-atom interactions
 NBONDS: found   203724 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0006 -----------------------
 | Etotal =244281.284 grad(E)=323.374    E(BOND)=37736.296  E(ANGL)=78661.158  |
 | E(VDW )=127883.830                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   204139 intra-atom interactions
 NBONDS: found   204231 intra-atom interactions
 NBONDS: found   204281 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0007 -----------------------
 | Etotal =212296.482 grad(E)=310.014    E(BOND)=38019.317  E(ANGL)=61378.561  |
 | E(VDW )=112898.605                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   204267 intra-atom interactions
 NBONDS: found   204259 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0003 -----------------------
 | Etotal =206370.631 grad(E)=305.964    E(BOND)=35590.585  E(ANGL)=58721.377  |
 | E(VDW )=112058.669                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   204263 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0004 -----------------------
 | Etotal =204147.049 grad(E)=305.164    E(BOND)=35254.900  E(ANGL)=57683.572  |
 | E(VDW )=111208.577                                                          |
 -------------------------------------------------------------------------------
 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)=957885.916      E(kin)=1331.451      temperature=304.691    |
 | Etotal =956554.466 grad(E)=629.543    E(BOND)=35254.900  E(ANGL)=57683.572  |
 | E(IMPR)=863615.994                                                          |
 -------------------------------------------------------------------------------
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=611124.565      E(kin)=102610.168    temperature=23481.485  |
 | Etotal =508514.397 grad(E)=350.218    E(BOND)=56703.626  E(ANGL)=201978.071 |
 | E(IMPR)=249832.700                                                          |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.96087      4.18195    -12.30223
         velocity [A/ps]       :      1.38772     -0.16688     -0.75101
         ang. mom. [amu A/ps]  :-249029.55506-833051.63166-453110.62485
         kin. ener. [Kcal/mol] :     88.21292
 CNSsolve> 
 CNSsolve>     flags include vdw end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=50 nprint=10 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: found   203272 intra-atom interactions
 NBONDS: found   203364 intra-atom interactions
 NBONDS: found   203464 intra-atom interactions
 NBONDS: found   203696 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=   -0.0002 -----------------------
 | Etotal =500578.154 grad(E)=364.925    E(BOND)=56648.678  E(ANGL)=117638.672 |
 | E(IMPR)=243695.031 E(VDW )=82595.773                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203915 intra-atom interactions
 NBONDS: found   203901 intra-atom interactions
 NBONDS: found   203935 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0000 -----------------------
 | Etotal =333809.159 grad(E)=264.441    E(BOND)=37566.276  E(ANGL)=58628.157  |
 | E(IMPR)=154446.922 E(VDW )=83167.804                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203994 intra-atom interactions
 NBONDS: found   203975 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0001 -----------------------
 | Etotal =265994.088 grad(E)=258.906    E(BOND)=34373.029  E(ANGL)=42450.696  |
 | E(IMPR)=109789.918 E(VDW )=79380.444                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   204097 intra-atom interactions
 NBONDS: found   203969 intra-atom interactions
 NBONDS: found   203913 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=   -0.0001 -----------------------
 | Etotal =228791.983 grad(E)=250.794    E(BOND)=33341.676  E(ANGL)=34118.976  |
 | E(IMPR)=86652.902  E(VDW )=74678.429                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203871 intra-atom interactions
 NBONDS: found   203825 intra-atom interactions
 NBONDS: found   203857 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0001 -----------------------
 | Etotal =201737.877 grad(E)=256.581    E(BOND)=33484.617  E(ANGL)=28745.164  |
 | E(IMPR)=65712.556  E(VDW )=73795.541                                        |
 -------------------------------------------------------------------------------
 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)=203036.926      E(kin)=1299.049      temperature=297.276    |
 | Etotal =201737.877 grad(E)=256.581    E(BOND)=33484.617  E(ANGL)=28745.164  |
 | E(IMPR)=65712.556  E(VDW )=73795.541                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203879 intra-atom interactions
 NBONDS: found   203837 intra-atom interactions
 NBONDS: found   203900 intra-atom interactions
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=191540.835      E(kin)=5625.361      temperature=1287.317   |
 | Etotal =185915.475 grad(E)=255.489    E(BOND)=33520.630  E(ANGL)=22157.292  |
 | E(IMPR)=58022.415  E(VDW )=72215.137                                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.96797      4.19867    -12.29981
         velocity [A/ps]       :      0.35512     -0.18016     -0.00194
         ang. mom. [amu A/ps]  :  29949.80049 -51869.90773 -40396.82776
         kin. ener. [Kcal/mol] :      5.55615
 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   200547 intra-atom interactions
 NBONDS: found   201138 intra-atom interactions
 NBONDS: found   201127 intra-atom interactions
 NBONDS: found   201174 intra-atom interactions
 NBONDS: found   201200 intra-atom interactions
 --------------- cycle=    25 ------ stepsize=    0.0002 -----------------------
 | Etotal =42683.489  grad(E)=42.660     E(BOND)=1300.878   E(ANGL)=12239.624  |
 | E(IMPR)=29141.985  E(VDW )=1.002                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   201216 intra-atom interactions
 NBONDS: found   201097 intra-atom interactions
 NBONDS: found   201060 intra-atom interactions
 NBONDS: found   201048 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=   -0.0004 -----------------------
 | Etotal =29813.002  grad(E)=32.801     E(BOND)=1064.947   E(ANGL)=9117.381   |
 | E(IMPR)=19627.873  E(VDW )=2.801                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   201139 intra-atom interactions
 NBONDS: found   201134 intra-atom interactions
 NBONDS: found   201118 intra-atom interactions
 NBONDS: found   201041 intra-atom interactions
 NBONDS: found   201024 intra-atom interactions
 --------------- cycle=    75 ------ stepsize=    0.0006 -----------------------
 | Etotal =2014.949   grad(E)=27.760     E(BOND)=69.608     E(ANGL)=1847.907   |
 | E(IMPR)=94.171     E(VDW )=3.263                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   201078 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=   -0.0001 -----------------------
 | Etotal =51.317     grad(E)=2.644      E(BOND)=0.048      E(ANGL)=49.965     |
 | E(IMPR)=1.137      E(VDW )=0.166                                            |
 -------------------------------------------------------------------------------
 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)=1391.239        E(kin)=1339.922      temperature=306.630    |
 | Etotal =51.317     grad(E)=2.644      E(BOND)=0.048      E(ANGL)=49.965     |
 | E(IMPR)=1.137      E(VDW )=0.166                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   201024 intra-atom interactions
 NBONDS: found   201088 intra-atom interactions
 NBONDS: found   201130 intra-atom interactions
 NBONDS: found   201033 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2385.006        E(kin)=1437.642      temperature=328.992    |
 | Etotal =947.364    grad(E)=30.405     E(BOND)=187.530    E(ANGL)=611.200    |
 | E(IMPR)=148.444    E(VDW )=0.189                                            |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.96529      4.19021    -12.30539
         velocity [A/ps]       :      0.10468      0.07795     -0.05354
         ang. mom. [amu A/ps]  :  18600.68486  -6501.64078  33684.23099
         kin. ener. [Kcal/mol] :      0.69730
 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   201045 intra-atom interactions
 NBONDS: found   201118 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0004 -----------------------
 | Etotal =178.829    grad(E)=3.296      E(BOND)=1.318      E(ANGL)=52.372     |
 | E(DIHE)=58.651     E(IMPR)=2.121      E(VDW )=64.368                        |
 -------------------------------------------------------------------------------
 NBONDS: found   201091 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=    0.0001 -----------------------
 | Etotal =130.759    grad(E)=3.031      E(BOND)=0.760      E(ANGL)=51.093     |
 | E(DIHE)=37.201     E(IMPR)=1.846      E(VDW )=39.858                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   150 ------ stepsize=    0.0011 -----------------------
 | Etotal =117.743    grad(E)=2.924      E(BOND)=0.707      E(ANGL)=50.756     |
 | E(DIHE)=27.221     E(IMPR)=1.446      E(VDW )=37.613                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0000 -----------------------
 | Etotal =116.055    grad(E)=2.923      E(BOND)=0.697      E(ANGL)=50.696     |
 | E(DIHE)=25.929     E(IMPR)=1.443      E(VDW )=37.289                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=    0.0004 -----------------------
 | Etotal =115.992    grad(E)=2.923      E(BOND)=0.701      E(ANGL)=50.693     |
 | E(DIHE)=25.807     E(IMPR)=1.441      E(VDW )=37.350                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=   -0.0003 -----------------------
 | Etotal =115.985    grad(E)=2.922      E(BOND)=0.701      E(ANGL)=50.693     |
 | E(DIHE)=25.796     E(IMPR)=1.440      E(VDW )=37.356                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0002 -----------------------
 | Etotal =115.985    grad(E)=2.922      E(BOND)=0.701      E(ANGL)=50.692     |
 | E(DIHE)=25.804     E(IMPR)=1.440      E(VDW )=37.348                        |
 -------------------------------------------------------------------------------
 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)=1459.361        E(kin)=1343.376      temperature=307.420    |
 | Etotal =115.985    grad(E)=2.922      E(BOND)=0.701      E(ANGL)=50.692     |
 | E(DIHE)=25.805     E(IMPR)=1.440      E(VDW )=37.347                        |
 -------------------------------------------------------------------------------
 NBONDS: found   201076 intra-atom interactions
 NBONDS: found   201072 intra-atom interactions
 NBONDS: found   201089 intra-atom interactions
 NBONDS: found   201112 intra-atom interactions
 NBONDS: found   201135 intra-atom interactions
 NBONDS: found   201108 intra-atom interactions
 NBONDS: found   201154 intra-atom interactions
 NBONDS: found   201115 intra-atom interactions
 NBONDS: found   200991 intra-atom interactions
 NBONDS: found   200972 intra-atom interactions
 NBONDS: found   200974 intra-atom interactions
 NBONDS: found   201009 intra-atom interactions
 NBONDS: found   201034 intra-atom interactions
 NBONDS: found   201150 intra-atom interactions
 NBONDS: found   201132 intra-atom interactions
 NBONDS: found   201164 intra-atom interactions
 NBONDS: found   201205 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2737.189        E(kin)=1460.035      temperature=334.117    |
 | Etotal =1277.154   grad(E)=33.570     E(BOND)=200.326    E(ANGL)=794.583    |
 | E(DIHE)=72.783     E(IMPR)=137.342    E(VDW )=72.120                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.60580      4.27771    -12.76195
         velocity [A/ps]       :      0.00539      0.31756      0.43978
         ang. mom. [amu A/ps]  :  -2070.67582   -999.22626  14772.47263
         kin. ener. [Kcal/mol] :      0.53022
 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
 NBONDS: found   201155 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=   -0.0003 -----------------------
 | Etotal =139.628    grad(E)=3.195      E(BOND)=1.552      E(ANGL)=51.470     |
 | E(DIHE)=36.572     E(IMPR)=2.097      E(VDW )=47.937                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   100 ------ stepsize=    0.0003 -----------------------
 | Etotal =120.565    grad(E)=3.018      E(BOND)=0.838      E(ANGL)=51.005     |
 | E(DIHE)=24.967     E(IMPR)=1.494      E(VDW )=42.261                        |
 -------------------------------------------------------------------------------
 NBONDS: found   201103 intra-atom interactions
 --------------- cycle=   150 ------ stepsize=   -0.0001 -----------------------
 | Etotal =112.616    grad(E)=2.962      E(BOND)=0.825      E(ANGL)=50.673     |
 | E(DIHE)=22.028     E(IMPR)=1.495      E(VDW )=37.596                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0001 -----------------------
 | Etotal =108.575    grad(E)=2.922      E(BOND)=0.719      E(ANGL)=50.613     |
 | E(DIHE)=19.549     E(IMPR)=1.451      E(VDW )=36.243                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=   -0.0004 -----------------------
 | Etotal =108.168    grad(E)=2.917      E(BOND)=0.698      E(ANGL)=50.597     |
 | E(DIHE)=19.433     E(IMPR)=1.442      E(VDW )=35.998                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0006 -----------------------
 | Etotal =108.158    grad(E)=2.917      E(BOND)=0.697      E(ANGL)=50.593     |
 | E(DIHE)=19.457     E(IMPR)=1.442      E(VDW )=35.968                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0001 -----------------------
 | Etotal =108.157    grad(E)=2.917      E(BOND)=0.697      E(ANGL)=50.593     |
 | E(DIHE)=19.440     E(IMPR)=1.442      E(VDW )=35.985                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   400 ------ stepsize=    0.0007 -----------------------
 | Etotal =108.157    grad(E)=2.917      E(BOND)=0.697      E(ANGL)=50.593     |
 | E(DIHE)=19.439     E(IMPR)=1.442      E(VDW )=35.985                        |
 -------------------------------------------------------------------------------
 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 =      37.242753
 CNSsolve>   do (b=$result) (store1 and (attr b < 0.01)) 
 SELRPN:   1166 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_17_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: 15:47:19 on 21-Dec-05  
           Program stopped at: 15:48:12 on 21-Dec-05
           CPU time used:      52.4900 seconds
          ============================================================