============================================================
          |                                                          |
          |            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: 15:49:05 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_19.pdb"; 
 DEFINE> 
 DEFINE>{* output coordinate file *} 
 DEFINE>{===>} coordinate_outfile="1xxx_19_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 19 
 COOR>ATOM      1    N GLY A   1       3.641  -2.470   4.268  1.00 71.54 
 %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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.171000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    5.17100     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.588000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.58800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.013250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    4.01325     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.542250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    8.54225     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.417125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.41713     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.610500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.61050     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.344667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    10.3447     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.504667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.504667     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.636889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.636889     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.937500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    11.9375     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.084500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.08450     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.403625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.40363     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.118750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.1188     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.602000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.60200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.960000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.96000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.224250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.2243     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.113625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.113625     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.347000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.34700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.031000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.0310     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.862300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.86230     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.459500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.45950     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.719667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.7197     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.560333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.56033     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.853667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.85367     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.215833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.2158     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.913667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.913667     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.961500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.96150     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.506154
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.5062     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.597846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.597846     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.940462
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.94046     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.455600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.4556     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.834100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.83410     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.680300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.6803     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.732077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    13.7321     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.095769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.957692E-01 (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.864538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.8645     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.554176
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.5542     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.830824
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.83082     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.443294
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.4433     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.667846
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.6678     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.333692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.333692     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.752462
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.7525     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.297000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.2970     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.344625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.34463     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.269750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.2698     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.586176
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.5862     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.701059
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.70106     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.054706
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.0547     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.505000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.5050     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.176929
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.17693     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.419357
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.4194     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.355611
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.3556     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.373278
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.37328     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.406444
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.4064     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.280000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.2800     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.340700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.34070     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.891200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.8912     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.246000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.2460     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.338900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.33890     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.945200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.9452     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.466500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.4665     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.341333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.34133     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.620833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.6208     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.038500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.0385     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.195300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.1953     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.783800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.7838     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.698250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.6983     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.079250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.0793     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.818500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.8185     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.605250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.6053     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.750000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.7500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.089750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.0898     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.687500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.6875     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.564300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.5643     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.386200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.3862     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.493400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.4934     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.768100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.7681     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.125300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.1253     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    391.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.503667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.5037     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.543500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.5435     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.049833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.0498     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.283600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.2836     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.893500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.8935     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.042000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.0420     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    420.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.070500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.0705     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.492667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.4927     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.875667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.8757     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.193300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.1933     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.780500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.78050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.965500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.9655     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.940700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.9407     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.455800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.45580     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.226100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.2261     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.845769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.8458     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.207846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.2078     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.064231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.0642     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    490.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.108600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.1086     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.432900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.4329     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.747100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.7471     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.592300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.5923     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.443900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.44390     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.308600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.3086     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.198125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.1981     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.779250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.77925     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.911125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.91113     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.579769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.5798     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.707000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.7070     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.568923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.56892     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.395700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.3957     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.586800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.58680     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.836200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.83620     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.883619
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.8836     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.514238
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.51424     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.250762
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.25076     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.769200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.7692     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.607700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.60770     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.479900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.47990     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.302692
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.3027     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.112846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.11285     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.495846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.49585     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.670875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.6709     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.761375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.7614     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.304750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.30475     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.846800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.8468     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.806800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.8068     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.282900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.28290     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.865889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.8659     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.433222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.43322     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.361000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.36100     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.512538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.5125     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.268308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.26831     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.633000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.63300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.728250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.7283     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.993750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.9938     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.210125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.21013     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.824200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.8242     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.097000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.0970     (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 $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.197900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.1979     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.558700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.55870     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.049900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.04990     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.419600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.4196     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.676900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.67690     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.426900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.42690     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.353889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.3539     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.184222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.18422     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.501778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.50178     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.655600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.6556     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.628500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.62850     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.346600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.34660     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.557700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.5577     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.580100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.58010     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.020500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.205000E-01 (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.963500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.9635     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.610100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.61010     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.152100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.15210     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.150500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.1505     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.063600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.06360     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.192700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.19270     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.001111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.0011     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.753111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.75311     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.325778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.32578     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.781200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.7812     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.759000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.75900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.112700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.11270     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.105100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.1051     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.523200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.52320     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.141000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.1410     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.740000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.7400     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.020700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.02070     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.329400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.3294     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.916412
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.9164     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.453824
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.45382     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.954765
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.95476     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.312300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.3123     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.569600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.56960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.867100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.8671     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.183500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1835     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.857250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.85725     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.432750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.4328     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.191667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1917     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.962000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.96200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.711333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.7113     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.571100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.5711     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.506200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.50620     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.622900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.6229     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.706125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.7061     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.843750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.84375     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.871875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.8719     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.817500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.8175     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.698625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.6986     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.347250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.3473     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.260000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.2600     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.446400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.4464     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.994400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.9944     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.235100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.2351     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.543600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.5436     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.183900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.1839     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.452800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.4528     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.296100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.29610     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.253300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.2533     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.779833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.7798     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.926000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.9260     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.162000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.1620     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.069615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.0696     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.830769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.8308     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.962615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.9626     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.194444
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.1944     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.118889
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.1189     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.900000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.9000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.586900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.5869     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.874500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.87450     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.493200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.4932     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.451250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.4513     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.971250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.9713     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.681000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.6810     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.472600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.4726     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.008400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.0084     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.829600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.82960     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.161000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.1610     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.225692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.22569     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.094231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.0942     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.250500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.2505     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.689125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.68913     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.097250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.09725     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.889750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.8898     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.871500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.87150     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.272500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.27250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.397000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.3970     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.094125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.09413     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.419500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.41950     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.273250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.2733     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.224625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.22463     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.067375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.06738     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.372300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.3723     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.034000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.03400     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.886500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.886500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.894900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.8949     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.108800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.10880     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.380300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.38030     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.013000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.0130     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.577167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.57717     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.222500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.22250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.366500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.3665     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.259000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.25900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.726500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.72650     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.152667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.1527     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.422000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.4220     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.301167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.30117     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.919000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.9190     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.922700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.9227     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.437000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.43700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.581667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.5817     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.273444
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.2734     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.563556
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.56356     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.409778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.4098     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.238000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.2380     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.069111
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.06911     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.056250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.0563     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.562000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.5620     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.195000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.19500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.657500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.6575     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.174000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.1740     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.363600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.36360     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.580231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.5802     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.700769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.7008     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.053615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.05362     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.113538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.1135     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.277923
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -22.2779     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.176615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.17662     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.006600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.0066     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.452300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -18.4523     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.468800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.46880     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.854375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.8544     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.695000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -22.6950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.723750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.7238     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      47.489000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    47.4890     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.610500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -22.6105     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.250500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.25050     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      49.848750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    49.8488     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.056500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -21.0565     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.838000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.83800     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      47.394250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    47.3943     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.138750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    27.1388     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.645000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.64500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.702625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.7026     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.979125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    24.9791     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.850625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.85063     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.612889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.6129     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.979111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    20.9791     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.343000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.34300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.650000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.6500     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.795250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.7953     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.818500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.8185     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.232500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.2325     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.003250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.0033     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.361000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.3610     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.146375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1464     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.458375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.4584     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.050250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.0503     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1537.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.978600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.9786     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.413400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4134     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.219400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.2194     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.461167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.4612     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.617833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.6178     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.473000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.4730     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.518000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.5180     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.457000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.4570     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.648000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.6480     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.316231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.3162     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.668154
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.66815     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.909000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.9090     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.461900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.4619     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.819200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.81920     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.306600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.3066     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.582769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.5828     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.160538
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.16054     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.826538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.8265     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.028471
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.0285     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.159176
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.15918     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.374824
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.37482     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.625615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.6256     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.361769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.36177     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.661077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.6611     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1683.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.148375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.1484     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.004625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.00463     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.272875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.2729     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.885706
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.8857     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.297118
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.297118     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.900294
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.90029     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.496214
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.4962     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.110429
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.11043     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.381857
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.3819     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.862056
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.8621     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.863444
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.86344     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.939278
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.93928     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.820800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.8208     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.605000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -6.60500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.507400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.50740     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.943900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.9439     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.770100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.7701     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.382700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.38270     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      46.966833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    46.9668     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.595833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.5958     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.863167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.86317     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.676500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.6765     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.526000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.52600     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.169000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.16900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.118500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.1185     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.706250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.70625     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.565500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.56550     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.737125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.7371     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.022750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.02275     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.526750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.52675     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.102000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.1020     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.339700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.33970     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.363000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.363000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.430500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.4305     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.978100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.97810     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.187500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.18750     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.839000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.8390     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.838167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.83817     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.699000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.69900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.065500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.0655     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.364400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.36440     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.993900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.99390     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.104667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.1047     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.462833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.462833     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.633333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.633333     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.028900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.0289     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.934300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.934300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.697000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.69700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.522100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.5221     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.827000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.82700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.067300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.06730     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.880462
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.8805     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.068385
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.06838     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.135308
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.135308     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.721400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.7214     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.525800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.52580     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.618400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.61840     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.797200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.7972     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.889800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.88980     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.092800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.09280     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.477125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.4771     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.594125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.59413     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.742500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.74250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.682923
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.6829     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.992154
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.9922     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.742692
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.742692     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.142500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.1425     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.216200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.2162     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.385600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.38560     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.122571
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1226     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.928143
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.9281     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.665238
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.66524     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.624000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.6240     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.592100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5921     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.194600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.19460     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.983538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.9835     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.868000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.8680     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.700077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.70008     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.288875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.2889     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.503500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.5035     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.085500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.855000E-01 (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.726500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.7265     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.513200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.5132     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.637700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.63770     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.270000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.2700     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.241333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    20.2413     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.598333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.59833     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.011077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.0111     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.393538
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.3935     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.131846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.13185     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.408250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.4083     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.686375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.6864     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.451625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.45163     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.696000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.6960     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.450500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.4505     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.918400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.918400     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.955200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.9552     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.171200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.1712     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.162500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.16250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.720100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.7201     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.185400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.1854     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.281600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.28160     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.407000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.4070     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.832778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.8328     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.775333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.77533     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.623600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.6236     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.860800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.8608     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.925100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.92510     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.579400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.5794     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.661500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.6615     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.986800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.9868     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.425300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.4253     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.741100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.7411     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.237000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.2370     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.117200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.1172     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.503500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.50350     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.930700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.9307     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.779222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.7792     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.528333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.5283     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.436444
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.4364     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.124500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.1245     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.695700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6957     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.058300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.0583     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.270400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2704     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.197500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.19750     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.642700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.6427     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.320500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.3205     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.704800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.70480     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.906100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.9061     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.372353
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.3724     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.527235
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.52724     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.248941
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.2489     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.564100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.5641     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.631600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.63160     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.974600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.9746     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.634000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.6340     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.140250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.14025     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.943750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.9438     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.933167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.9332     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.421667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.42167     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.795667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.7957     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.878200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.8782     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.852000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.85200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.376700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.3767     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.472125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.4721     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.233000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.23300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.549875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.5499     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.538250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.5383     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.748500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.748500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.439500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.4395     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.274300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2743     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.877600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.87760     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.594200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.5942     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.532600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.5326     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.105300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.10530     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.730500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.7305     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.731500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.7315     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.662100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.66210     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.340100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.3401     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.339500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.3395     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.519500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.51950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.058000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.0580     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.311308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.3113     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.635077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.63508     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -31.289769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -31.2898     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.795889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.7959     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.992222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.99222     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.075222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.0752     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.704400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.7044     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.841200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.84120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.667200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.6672     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.084500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.0845     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.237000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.2370     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.393250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.3933     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.950300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9503     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.572800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.5728     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.917000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.9170     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2647.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.632231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.6322     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.613077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.6131     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.260000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.2600     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.109000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.1090     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.352250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3523     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.670625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.6706     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.214000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.2140     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.167750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.1678     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.866750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.8668     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.367750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.3678     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.188375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.1884     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.472750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.4728     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.756750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.7568     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.480500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.4805     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.982500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.9825     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.015200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.0152     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.391200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.3912     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.230700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.2307     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.933300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.9333     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.362500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.3625     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.279300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.2793     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.050833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.0508     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.124333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.1243     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.308333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.3083     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.674333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.6743     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.919500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.9195     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.691500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.6915     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.122833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.1228     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.454167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.4542     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.924833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.9248     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.272300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2723     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.222000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.2220     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.341500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.3415     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.411556
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.4116     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.197111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.1971     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.352333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.3523     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.210778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.2108     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.346222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3462     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.331778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.3318     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.530000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.5300     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.818000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.8180     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.898250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.8983     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.084700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.0847     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.931400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.9314     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -33.287300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -33.2873     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.489769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.4898     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.489385
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.4894     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -33.006154
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -33.0062     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.176846
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.1768     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.567846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5678     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -39.376385
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -39.3764     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.861900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.8619     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.951300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.95130     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -37.472900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -37.4729     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.515125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.5151     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.837750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.83775     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -41.926750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -41.9268     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.977500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.9775     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.385750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.3858     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -41.948250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -41.9483     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.148000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.1480     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.250667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.2507     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =     -40.811333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -40.8113     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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   204239 intra-atom interactions
 NBONDS: found       24 nonbonded violations
 %atoms "    -34  -LEU -HA  " and "    -34  -LEU -HD22" only  0.07 A apart
 %atoms "    -315 -CYS -HB2 " and "    -315 -CYS -HG  " only  0.09 A apart
 %atoms "    -346 -LYS -HG1 " and "    -346 -LYS -HD2 " only  0.04 A apart
 NBONDS: found   204351 intra-atom interactions
 NBONDS: found        3 nonbonded violations
 NBONDS: found   195779 intra-atom interactions
 %atoms "    -344 -ARG -HD2 " and "    -344 -ARG -HE  " only  0.09 A apart
 NBONDS: found   200240 intra-atom interactions
 NBONDS: found        1 nonbonded violations
 NBONDS: found   197255 intra-atom interactions
 NBONDS: found   198444 intra-atom interactions
 NBONDS: found   198973 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=    0.0005 -----------------------
 | Etotal =760829.504 grad(E)=572.968    E(BOND)=112277.315 E(ANGL)=356444.631 |
 | E(VDW )=292107.557                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   199894 intra-atom interactions
 NBONDS: found   200022 intra-atom interactions
 NBONDS: found   200221 intra-atom interactions
 NBONDS: found   200508 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0006 -----------------------
 | Etotal =250086.257 grad(E)=329.576    E(BOND)=39819.950  E(ANGL)=81721.294  |
 | E(VDW )=128545.013                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   200526 intra-atom interactions
 NBONDS: found   200699 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0004 -----------------------
 | Etotal =208164.181 grad(E)=307.537    E(BOND)=36528.150  E(ANGL)=59202.804  |
 | E(VDW )=112433.226                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   200727 intra-atom interactions
 NBONDS: found   200682 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0005 -----------------------
 | Etotal =203874.236 grad(E)=303.868    E(BOND)=34890.408  E(ANGL)=57163.512  |
 | E(VDW )=111820.316                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   200771 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0005 -----------------------
 | Etotal =203183.123 grad(E)=304.638    E(BOND)=35351.845  E(ANGL)=56946.212  |
 | E(VDW )=110885.067                                                          |
 -------------------------------------------------------------------------------
 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)=941137.195      E(kin)=1331.451      temperature=304.691    |
 | Etotal =939805.745 grad(E)=617.534    E(BOND)=35351.845  E(ANGL)=56946.212  |
 | E(IMPR)=847507.688                                                          |
 -------------------------------------------------------------------------------
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=608123.058      E(kin)=97844.245     temperature=22390.843  |
 | Etotal =510278.813 grad(E)=345.491    E(BOND)=56064.562  E(ANGL)=200400.820 |
 | E(IMPR)=253813.431                                                          |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.96331      4.23939    -12.36144
         velocity [A/ps]       :      1.73586     -0.04442     -0.99701
         ang. mom. [amu A/ps]  :-297615.53343-724502.16649-547284.31583
         kin. ener. [Kcal/mol] :    140.47635
 CNSsolve> 
 CNSsolve>     flags include vdw end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=50 nprint=10 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: found   200487 intra-atom interactions
 NBONDS: found   200305 intra-atom interactions
 NBONDS: found   200359 intra-atom interactions
 NBONDS: found   200547 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=    0.0003 -----------------------
 | Etotal =498457.945 grad(E)=368.057    E(BOND)=61165.573  E(ANGL)=118642.744 |
 | E(IMPR)=239387.818 E(VDW )=79261.810                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200736 intra-atom interactions
 NBONDS: found   200799 intra-atom interactions
 NBONDS: found   200743 intra-atom interactions
 NBONDS: found   200777 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0000 -----------------------
 | Etotal =333605.498 grad(E)=258.235    E(BOND)=35054.676  E(ANGL)=56598.459  |
 | E(IMPR)=159476.388 E(VDW )=82475.974                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200797 intra-atom interactions
 NBONDS: found   200856 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0001 -----------------------
 | Etotal =276558.060 grad(E)=260.919    E(BOND)=33738.387  E(ANGL)=47033.458  |
 | E(IMPR)=115220.078 E(VDW )=80566.138                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200984 intra-atom interactions
 NBONDS: found   200908 intra-atom interactions
 NBONDS: found   200806 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0000 -----------------------
 | Etotal =224023.885 grad(E)=255.225    E(BOND)=31503.456  E(ANGL)=31468.979  |
 | E(IMPR)=85339.451  E(VDW )=75711.999                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200724 intra-atom interactions
 NBONDS: found   200724 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0000 -----------------------
 | Etotal =201647.830 grad(E)=251.276    E(BOND)=31783.793  E(ANGL)=26984.256  |
 | E(IMPR)=70374.075  E(VDW )=72505.706                                        |
 -------------------------------------------------------------------------------
 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)=202946.878      E(kin)=1299.049      temperature=297.276    |
 | Etotal =201647.830 grad(E)=251.276    E(BOND)=31783.793  E(ANGL)=26984.256  |
 | E(IMPR)=70374.075  E(VDW )=72505.706                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200688 intra-atom interactions
 NBONDS: found   200668 intra-atom interactions
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=196122.523      E(kin)=5078.773      temperature=1162.235   |
 | Etotal =191043.749 grad(E)=251.375    E(BOND)=32554.610  E(ANGL)=24325.310  |
 | E(IMPR)=63291.266  E(VDW )=70872.563                                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.96605      4.25022    -12.36922
         velocity [A/ps]       :     -0.11328      0.16891      0.11764
         ang. mom. [amu A/ps]  :   -317.99717  -6961.27588 -37145.26104
         kin. ener. [Kcal/mol] :      1.93414
 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   197310 intra-atom interactions
 NBONDS: found   198026 intra-atom interactions
 NBONDS: found   197994 intra-atom interactions
 NBONDS: found   198020 intra-atom interactions
 NBONDS: found   197997 intra-atom interactions
 NBONDS: found   197967 intra-atom interactions
 --------------- cycle=    25 ------ stepsize=    0.0002 -----------------------
 | Etotal =56332.351  grad(E)=40.903     E(BOND)=1724.115   E(ANGL)=15405.776  |
 | E(IMPR)=39201.175  E(VDW )=1.285                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   197936 intra-atom interactions
 NBONDS: found   197891 intra-atom interactions
 NBONDS: found   197917 intra-atom interactions
 NBONDS: found   197934 intra-atom interactions
 NBONDS: found   198069 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0005 -----------------------
 | Etotal =29857.502  grad(E)=48.441     E(BOND)=1308.976   E(ANGL)=12880.629  |
 | E(IMPR)=15647.214  E(VDW )=20.683                                           |
 -------------------------------------------------------------------------------
 NBONDS: found   198019 intra-atom interactions
 NBONDS: found   197904 intra-atom interactions
 NBONDS: found   197928 intra-atom interactions
 NBONDS: found   198111 intra-atom interactions
 --------------- cycle=    75 ------ stepsize=   -0.0001 -----------------------
 | Etotal =1401.999   grad(E)=21.714     E(BOND)=35.073     E(ANGL)=1328.433   |
 | E(IMPR)=32.700     E(VDW )=5.793                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   197987 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=    0.0009 -----------------------
 | Etotal =51.098     grad(E)=2.646      E(BOND)=0.045      E(ANGL)=49.903     |
 | E(IMPR)=1.150      E(VDW )=0.000                                            |
 -------------------------------------------------------------------------------
 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)=1391.019        E(kin)=1339.922      temperature=306.630    |
 | Etotal =51.098     grad(E)=2.646      E(BOND)=0.045      E(ANGL)=49.903     |
 | E(IMPR)=1.150      E(VDW )=0.000                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   197949 intra-atom interactions
 NBONDS: found   198103 intra-atom interactions
 NBONDS: found   198086 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2378.957        E(kin)=1438.025      temperature=329.080    |
 | Etotal =940.932    grad(E)=30.661     E(BOND)=188.262    E(ANGL)=606.152    |
 | E(IMPR)=146.327    E(VDW )=0.191                                            |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.96585      4.24595    -12.37369
         velocity [A/ps]       :      0.14574     -0.06592     -0.10007
         ang. mom. [amu A/ps]  :  20769.19974  -5840.34828  23372.28352
         kin. ener. [Kcal/mol] :      1.24732
 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   198068 intra-atom interactions
 NBONDS: found   197945 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0001 -----------------------
 | Etotal =159.465    grad(E)=3.178      E(BOND)=0.879      E(ANGL)=51.839     |
 | E(DIHE)=60.394     E(IMPR)=1.654      E(VDW )=44.699                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   100 ------ stepsize=    0.0004 -----------------------
 | Etotal =127.216    grad(E)=3.092      E(BOND)=0.591      E(ANGL)=51.649     |
 | E(DIHE)=40.912     E(IMPR)=1.697      E(VDW )=32.368                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   150 ------ stepsize=   -0.0002 -----------------------
 | Etotal =114.411    grad(E)=2.986      E(BOND)=0.581      E(ANGL)=50.719     |
 | E(DIHE)=30.521     E(IMPR)=1.484      E(VDW )=31.107                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0011 -----------------------
 | Etotal =109.838    grad(E)=2.991      E(BOND)=0.583      E(ANGL)=50.774     |
 | E(DIHE)=26.298     E(IMPR)=1.467      E(VDW )=30.715                        |
 -------------------------------------------------------------------------------
 NBONDS: found   197980 intra-atom interactions
 --------------- cycle=   250 ------ stepsize=    0.0008 -----------------------
 | Etotal =107.636    grad(E)=2.973      E(BOND)=0.563      E(ANGL)=50.656     |
 | E(DIHE)=24.487     E(IMPR)=1.458      E(VDW )=30.472                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0008 -----------------------
 | Etotal =106.281    grad(E)=2.964      E(BOND)=0.565      E(ANGL)=50.625     |
 | E(DIHE)=23.285     E(IMPR)=1.446      E(VDW )=30.360                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0010 -----------------------
 | Etotal =106.195    grad(E)=2.964      E(BOND)=0.564      E(ANGL)=50.626     |
 | E(DIHE)=23.191     E(IMPR)=1.447      E(VDW )=30.366                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   400 ------ stepsize=    0.0011 -----------------------
 | Etotal =106.186    grad(E)=2.963      E(BOND)=0.564      E(ANGL)=50.625     |
 | E(DIHE)=23.191     E(IMPR)=1.446      E(VDW )=30.359                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   450 ------ stepsize=    0.0012 -----------------------
 | Etotal =106.185    grad(E)=2.963      E(BOND)=0.564      E(ANGL)=50.626     |
 | E(DIHE)=23.189     E(IMPR)=1.446      E(VDW )=30.361                        |
 -------------------------------------------------------------------------------
 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)=1449.561        E(kin)=1343.376      temperature=307.420    |
 | Etotal =106.185    grad(E)=2.963      E(BOND)=0.564      E(ANGL)=50.626     |
 | E(DIHE)=23.188     E(IMPR)=1.446      E(VDW )=30.362                        |
 -------------------------------------------------------------------------------
 NBONDS: found   198061 intra-atom interactions
 NBONDS: found   198042 intra-atom interactions
 NBONDS: found   198092 intra-atom interactions
 NBONDS: found   198113 intra-atom interactions
 NBONDS: found   198072 intra-atom interactions
 NBONDS: found   198075 intra-atom interactions
 NBONDS: found   198020 intra-atom interactions
 NBONDS: found   197941 intra-atom interactions
 NBONDS: found   197927 intra-atom interactions
 NBONDS: found   197944 intra-atom interactions
 NBONDS: found   197946 intra-atom interactions
 NBONDS: found   197944 intra-atom interactions
 NBONDS: found   197854 intra-atom interactions
 NBONDS: found   198005 intra-atom interactions
 NBONDS: found   197998 intra-atom interactions
 NBONDS: found   198040 intra-atom interactions
 NBONDS: found   198045 intra-atom interactions
 NBONDS: found   198052 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2706.580        E(kin)=1434.259      temperature=328.218    |
 | Etotal =1272.320   grad(E)=33.797     E(BOND)=214.023    E(ANGL)=806.740    |
 | E(DIHE)=62.792     E(IMPR)=133.605    E(VDW )=55.162                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     28.64404      4.44453    -12.94963
         velocity [A/ps]       :      0.33003      0.24233      0.19528
         ang. mom. [amu A/ps]  :  -8716.49388  -6662.03205   7760.41433
         kin. ener. [Kcal/mol] :      0.37076
 CNSsolve> 
 CNSsolve>     {- some final minimisation -} 
 CNSsolve>     minimize powell 
 POWELL>       nstep=500 
 POWELL>       drop=40.0 
 POWELL>       nprint=50 
 POWELL>     end 
 POWELL: number of degrees of freedom=  4398
 --------------- cycle=    50 ------ stepsize=    0.0004 -----------------------
 | Etotal =120.571    grad(E)=3.150      E(BOND)=0.674      E(ANGL)=51.870     |
 | E(DIHE)=31.525     E(IMPR)=1.954      E(VDW )=34.549                        |
 -------------------------------------------------------------------------------
 NBONDS: found   198001 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=   -0.0001 -----------------------
 | Etotal =104.584    grad(E)=2.975      E(BOND)=0.582      E(ANGL)=50.602     |
 | E(DIHE)=22.169     E(IMPR)=1.497      E(VDW )=29.733                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   150 ------ stepsize=    0.0005 -----------------------
 | Etotal =102.272    grad(E)=2.967      E(BOND)=0.564      E(ANGL)=50.574     |
 | E(DIHE)=20.330     E(IMPR)=1.479      E(VDW )=29.326                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0002 -----------------------
 | Etotal =101.556    grad(E)=2.956      E(BOND)=0.538      E(ANGL)=50.540     |
 | E(DIHE)=19.822     E(IMPR)=1.451      E(VDW )=29.204                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=    0.0004 -----------------------
 | Etotal =101.501    grad(E)=2.955      E(BOND)=0.540      E(ANGL)=50.537     |
 | E(DIHE)=19.760     E(IMPR)=1.447      E(VDW )=29.218                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0015 -----------------------
 | Etotal =101.499    grad(E)=2.955      E(BOND)=0.540      E(ANGL)=50.536     |
 | E(DIHE)=19.774     E(IMPR)=1.447      E(VDW )=29.203                        |
 -------------------------------------------------------------------------------
 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 =      38.171247
 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_19_cns.pdb opened.
 CNSsolve> 
 CNSsolve>stop 
 HEAP: maximum use      =     1848388 current use      =           0 bytes
 HEAP: maximum overhead =        1000 current overhead =          64 bytes
          ============================================================
           Maximum dynamic memory allocation:     1848388 bytes
           Maximum dynamic memory overhead:          1000 bytes
           Program started at: 15:49:05 on 21-Dec-05  
           Program stopped at: 15:49:58 on 21-Dec-05
           CPU time used:      52.0700 seconds
          ============================================================