============================================================
          |                                                          |
          |            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: 15:41:49 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_11.pdb"; 
 DEFINE> 
 DEFINE>{* output coordinate file *} 
 DEFINE>{===>} coordinate_outfile="1xxx_11_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 11 
 COOR>ATOM      1    N GLY A   1       5.026   3.521   1.667  1.00 42.23 
 %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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.688500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    6.68850     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.027250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.02725     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.031750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.03175     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    10.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.473500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    7.47350     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.379250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.379250     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.283750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.28375     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.848111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    10.8481     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.522111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.522111     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.914778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.914778     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.849000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    11.8490     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.584875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.58488     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.352250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.35225     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.127000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.1270     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.673250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.673250     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.564250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.56425     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.399125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.3991     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.463750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.463750     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.707500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.70750     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.898700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.8987     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.703500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.70350     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.265000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.26500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.529667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.5297     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.960500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.96050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.406333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.40633     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    93.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.227167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.2272     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.533167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.53317     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.245333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.24533     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    103.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.495923
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.4959     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.314615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.314615     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.432000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.43200     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    127.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.866300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.8663     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.670700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.67070     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.517700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.5177     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    146.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.788077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.7881     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.314231
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.314231     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.837077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.8371     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    170.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.580706
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.5807     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.897059
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.89706     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.247647
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.2476     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    190.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.501231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.5012     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.540769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.54077     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.363692
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.3637     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.332625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.3326     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.191125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.19113     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.210375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.2104     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.191706
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.1917     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.857882
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.85788     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.112941
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.1129     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.719357
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.7194     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.915000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.91500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.238714
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.2387     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.847667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.8477     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.989611
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.98961     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.100389
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.1004     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.751100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.7511     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.213600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.21360     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.815400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.8154     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.302300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.3023     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.311400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.31140     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.710500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.7105     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.377000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.3770     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.249833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.2498     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.641000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.6410     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.775300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.7753     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.119800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.1198     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.867700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.8677     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.402500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.4025     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.881250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.8813     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.658000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.6580     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.231500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.2315     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.367625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3676     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.732750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.7328     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.260000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.2600     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.226800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.2268     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.008000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.0080     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.967700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.9677     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.361800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.3618     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.808800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.8088     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.725500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.7255     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.100167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.1002     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.968500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.9685     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.574000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.5740     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.212700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.2127     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.694100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.6941     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.233833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.2338     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.917833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.9178     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.783167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.7832     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.590200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.5902     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.852200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.8522     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.701900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.7019     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.098000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.0980     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.716200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.71620     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.065000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.0650     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    466.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.468308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.4683     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.315462
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.3155     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.545769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.5458     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.873300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.8733     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.605800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6058     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.003800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.0038     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    505.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.538800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.5388     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.703800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.70380     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.343900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.3439     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.992000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.9920     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.932875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.93287     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.630250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.63025     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    535.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.482385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.4824     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.213769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.2138     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.678769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.67877     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    559.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.125000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.1250     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.791600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.79160     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.762500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.76250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    576.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.662190
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.6622     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.864238
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.86424     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.899762
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.89976     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.457200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.4572     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.021800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.02180     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.293400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.29340     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.708385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.7084     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.688000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.68800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.970538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.97054     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.622625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.6226     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.088875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.0889     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.067125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.06713     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.416200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.4162     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.311500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3115     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.376900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.37690     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.900667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.9007     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.006667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.00667     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.419778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.41978     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.598154
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.5982     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.340923
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.34092     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.021923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.02192     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.061125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.0611     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.389250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3893     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.908375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.90837     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.389100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.3891     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.509000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5090     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.037100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.03710     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    745.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.657300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.6573     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.646600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.64660     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.230300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    4.23030     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.961500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.9615     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.697400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.69740     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.812500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.81250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    777.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.009000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.0090     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.799667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.79967     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.777000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.77700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.119500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.1195     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.089100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.08910     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.205900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.20590     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    813.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.025000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.0250     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.051100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.05110     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.407600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.407600     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    828.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.128400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.1284     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.395900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.39590     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.731500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.73150     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.715500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.7155     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.687600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.68760     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.567900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.56790     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.453111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.4531     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.282778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.28278     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.602444
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.60244     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.269800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.2698     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.221200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.22120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.430100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.43010     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.242400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2424     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.245600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.245600     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.927200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.92720     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    916.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.239500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.2395     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.396900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.396900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.506300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.5063     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    933.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.288000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.2880     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.070765
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.07076     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.355000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.35500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.573100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.5731     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.466600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.46660     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.588500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.5885     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.485500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.4855     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.330500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.33050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.791500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.7915     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.525167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.5252     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.355833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.35583     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.082833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.0828     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.960400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9604     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.950600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.95060     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.077000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.0770     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.147000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.1470     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.213750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.2138     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.351750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.3518     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.311000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.3110     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.012500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.0125     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.869750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.8698     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.762000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.7620     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.805800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.8058     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.594000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.5940     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.657800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.6578     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.997800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.9978     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.758800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.7588     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.855300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.8553     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.742800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.74280     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.793700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.7937     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.253167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2532     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.389000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.3890     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.842500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.8425     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.538385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.5384     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.790385
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -16.7904     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.163077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.1631     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.707778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.7078     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.942333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.9423     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.403889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.4039     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.734000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.7340     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.211200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.21120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.085700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.0857     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.780750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.7808     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.453250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.4533     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.421250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.4213     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.548700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.5487     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.362500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.3625     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.827200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.82720     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1178.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.226231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.2262     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.378385
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.37838     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.007000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.0070     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.573875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.5739     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.956375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.95638     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.096625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.09663     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.623750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.6238     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.075750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.07575     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.497000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.49700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.738250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.7383     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.507625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.50763     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.157375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.15738     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.706250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.7063     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.729375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.72938     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.556250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.55625     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.600300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.6003     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.760800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.76080     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.325000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.32500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.052700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.0527     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.620500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.62050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.122800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.12280     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.343167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.3432     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.066500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.06650     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.862167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.86217     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.605667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.6057     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.898000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.89800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.251833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.25183     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.222500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.2225     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.085667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.0857     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.050500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.05050     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.122000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.1220     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.367700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.3677     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.302700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.30270     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.883667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.8837     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.663444
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.6634     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.254222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.25422     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.371111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.3711     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.053333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.0533     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.722778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.72278     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.815750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.8158     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.130000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -18.1300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.820000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.82000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1362.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.313300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.3133     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.547400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.5474     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.594700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.59470     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.764000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.7640     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.843462
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -15.8435     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.653154
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.65315     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.853077
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.8531     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.391923
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -22.3919     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.394769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.39477     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.511900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.5119     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.649000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -20.6490     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.226700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.22670     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      46.050500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    46.0505     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.289625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -24.2896     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.100250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.10025     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.207750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.2078     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.752250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -25.7523     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.268000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.26800     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.780750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.7808     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.989250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -26.9893     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.028250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.02825     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      46.488250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    46.4883     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.743000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    22.7430     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.380500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.38050     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      46.879125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    46.8791     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.032250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    23.0323     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.922875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.92288     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.348667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.3487     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.892222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    19.8922     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.801778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.80178     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      4 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1502.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.141750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.1418     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.244875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.2449     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.902875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.90288     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1516.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.674750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.6748     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.828750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.8288     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.003500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.00350     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      3 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1523.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.475875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.4759     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.497625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4976     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.127125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.12713     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.594200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.5942     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.379800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3798     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.459100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.4591     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.378167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.3782     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.524833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5248     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.850000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.8500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1562.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.155500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.1555     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.403167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.4032     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.129667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.12967     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.905923
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.9059     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.567308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.56731     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.651615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.6516     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.842200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.8422     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.454600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.45460     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.306900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.3069     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1615.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.406692
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.4067     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.466615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.46662     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.086615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.0866     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.747824
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.7478     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.537412
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.53741     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.566235
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.56624     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.327308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.3273     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.912692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.91269     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.895231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.8952     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.111125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.1111     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.424375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.42438     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.845125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.8451     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1694.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.312059
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.3121     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.037059
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.03706     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.420000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.42000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1714.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.577786
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.5778     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.041714
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.04171     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.084286
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.0843     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1732.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.194889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.1949     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.438167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.43817     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.291056
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.29106     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1753.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.300500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.3005     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.651100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.65110     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.540800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.54080     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.897800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.8978     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.749400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.7494     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.723000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.72300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1783.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      47.105500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    47.1055     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.711333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.7113     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.197167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.19717     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.897300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.8973     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.792000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.79200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.360800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.36080     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.341500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.3415     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.780500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.78050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.860250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.86025     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.996625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.9966     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.916625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.91663     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.889750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.88975     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.320600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.3206     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.437200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.43720     (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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.748200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.7482     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.012200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -6.01220     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.385300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.385300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.421333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.4213     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.862000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.86200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.854333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.85433     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.550100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.5501     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.206500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.20650     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.327100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.32710     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.693000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.6930     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.634333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.634333     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.221500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.221500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.244300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.2443     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.031200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.312000E-01 (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.258300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.25830     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1916.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.101200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.1012     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.061200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.06120     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.295400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.29540     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.771769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.7718     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.380154
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.38015     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.136231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.13623     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1959.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.653600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.6536     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.294400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.29440     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.533300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.533300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.560800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.5608     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.000400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.00040     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.973300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.97330     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1993.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.297500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.2975     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.933500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.93350     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.713500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.71350     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.571385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.5714     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.608538
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.60854     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.531923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.531923     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.931400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.9314     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.374000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.3740     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.036400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.03640     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.865000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.8650     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.380000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.287619
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.28762     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     10 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2069.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.380300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.3803     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.711200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.7112     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.715600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.71560     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.632385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.6324     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.023615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.0236     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.577308
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.57731     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.681250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.6813     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.381125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3811     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.299500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.29950     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2126.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.353900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.3539     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.230600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.2306     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.445300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    4.44530     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.386889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.3869     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.168222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    19.1682     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.526889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.526889     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2157.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.173154
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.1732     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.884692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.8847     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.494231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.49423     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.383500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.3835     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.360875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.3609     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.540500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.540500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.478600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.4786     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.119100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.1191     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.212900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.212900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.638000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.6380     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.850100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.8501     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.956900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.95690     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2229.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.205500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.2055     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.482400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.4824     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.716700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.71670     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2246.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.206000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2060     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.594333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.5943     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.949333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.94933     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2263.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.556500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.5565     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.080300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.0803     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.195500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.19550     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2282.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.242400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.2424     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.533500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.5335     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.993200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.9932     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2297.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.766300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.7663     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.544000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.5440     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.136700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.1367     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2316.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.257000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.2570     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.389200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.38920     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.214800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.2148     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2335.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.942444
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.9424     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.644000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6440     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.746222
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.7462     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.293600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2936     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.952900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.9529     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.326200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.3262     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2370.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.829900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.8299     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.203700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.20370     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.564200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.5642     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.534200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.5342     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.151700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.15170     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.578600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.5786     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.757176
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.7572     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.735294
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.73529     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.881059
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.8811     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.430400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.4304     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.039000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.03900     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.598800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.5988     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.400000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.4000     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.693250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.69325     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.614750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.6148     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.616333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.6163     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.849667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.84967     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.344500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.3445     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.597300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.5973     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.402200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.40220     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.775700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.7757     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.216500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2165     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.943250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.94325     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.073375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.0734     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.289750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.2898     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.495875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.49588     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.050000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.0500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.047700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.0477     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.764100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.76410     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.052800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.0528     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.267100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.2671     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.877900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.87790     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.070400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.0704     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.452300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.4523     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.253100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.25310     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.775200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.7752     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.069167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.0692     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.216167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.21617     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.387500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.3875     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.179615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.1796     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.111000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.1110     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.772923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.7729     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.111222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1112     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.702111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.7021     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.591333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.5913     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.294700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.2947     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.558800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.55880     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.738800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.7388     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.831750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.8318     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.844250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.8443     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.418750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.4188     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.525200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.5252     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.757700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.7577     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.929300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.9293     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.915846
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.9158     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.129692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.1297     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.415615
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.4156     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.535000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.5350     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.288250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.2883     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.613375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.6134     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.333750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.3338     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.459000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.4590     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.968750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.9688     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.736250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.7363     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.231625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.2316     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.478125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.4781     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.072625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.0726     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.639875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.6399     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.211125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.2111     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.397200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.3972     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.631300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.6313     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.388500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.3885     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.424900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.4249     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.653600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.6536     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.229900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.2299     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.566667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.5667     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.500833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.5008     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.479833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.4798     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.251000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.2510     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.380333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3803     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.945000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.9450     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.856000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.8560     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.938667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.9387     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.044000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.0440     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.992500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.9925     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.679200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.6792     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.368200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.3682     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.127444
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.1274     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.661444
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.6614     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.507333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.5073     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.215556
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.2156     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.995000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.9950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.691000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.6910     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.102250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.1023     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.573250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.5733     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.453250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.4533     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.687600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.6876     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.071100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.0711     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.681600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.6816     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.311769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.3118     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.816615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.8166     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.319538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.3195     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.706385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.7064     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.498846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4988     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -37.844385
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -37.8444     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2898.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.422000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.4220     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.747100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.7471     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -38.408600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -38.4086     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.479500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.4795     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.161125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.1611     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -42.355875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -42.3559     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.305000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.3050     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.342000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.3420     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -42.447500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -42.4475     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.779667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.7797     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.139000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    19.1390     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =     -41.888667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -41.8887     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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   207197 intra-atom interactions
 NBONDS: found       24 nonbonded violations
 %atoms "    -346 -LYS -HG1 " and "    -346 -LYS -HD2 " only  0.02 A apart
 NBONDS: found   207480 intra-atom interactions
 NBONDS: found        1 nonbonded violations
 NBONDS: found   199353 intra-atom interactions
 NBONDS: found   202932 intra-atom interactions
 %atoms "    -357 -GLN -HB1 " and "    -358 -PHE -HN  " only  0.09 A apart
 NBONDS: found   200047 intra-atom interactions
 NBONDS: found        1 nonbonded violations
 NBONDS: found   201819 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=    0.0005 -----------------------
 | Etotal =764072.878 grad(E)=587.842    E(BOND)=128081.395 E(ANGL)=356995.891 |
 | E(VDW )=278995.593                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   202288 intra-atom interactions
 NBONDS: found   202336 intra-atom interactions
 NBONDS: found   202120 intra-atom interactions
 NBONDS: found   202833 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0006 -----------------------
 | Etotal =244064.532 grad(E)=326.574    E(BOND)=39269.351  E(ANGL)=78795.286  |
 | E(VDW )=125999.894                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   202816 intra-atom interactions
 NBONDS: found   202768 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0005 -----------------------
 | Etotal =206988.818 grad(E)=306.774    E(BOND)=35842.037  E(ANGL)=59061.052  |
 | E(VDW )=112085.728                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   202794 intra-atom interactions
 NBONDS: found   202805 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0004 -----------------------
 | Etotal =203035.612 grad(E)=303.013    E(BOND)=34893.566  E(ANGL)=56974.771  |
 | E(VDW )=111167.275                                                          |
 -------------------------------------------------------------------------------
 --------------- cycle=    50 ------ stepsize=    0.0008 -----------------------
 | Etotal =202634.444 grad(E)=303.404    E(BOND)=35225.788  E(ANGL)=56941.551  |
 | E(VDW )=110467.105                                                          |
 -------------------------------------------------------------------------------
 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)=938984.591      E(kin)=1331.451      temperature=304.691    |
 | Etotal =937653.141 grad(E)=619.451    E(BOND)=35225.788  E(ANGL)=56941.551  |
 | E(IMPR)=845485.802                                                          |
 -------------------------------------------------------------------------------
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=600438.603      E(kin)=101379.602    temperature=23199.880  |
 | Etotal =499059.001 grad(E)=348.244    E(BOND)=56070.074  E(ANGL)=196347.632 |
 | E(IMPR)=246641.296                                                          |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.83436      4.20318    -11.64488
         velocity [A/ps]       :      1.25183      0.47154     -0.06389
         ang. mom. [amu A/ps]  :-298250.25808-871221.24070-570217.27242
         kin. ener. [Kcal/mol] :     62.84152
 CNSsolve> 
 CNSsolve>     flags include vdw end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=50 nprint=10 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: found   202471 intra-atom interactions
 NBONDS: found   202488 intra-atom interactions
 NBONDS: found   202613 intra-atom interactions
 NBONDS: found   202791 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=   -0.0001 -----------------------
 | Etotal =475601.108 grad(E)=333.322    E(BOND)=42321.258  E(ANGL)=105706.610 |
 | E(IMPR)=236002.122 E(VDW )=91571.119                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203057 intra-atom interactions
 NBONDS: found   203040 intra-atom interactions
 NBONDS: found   203056 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0001 -----------------------
 | Etotal =333459.905 grad(E)=264.070    E(BOND)=36070.745  E(ANGL)=58878.195  |
 | E(IMPR)=153190.723 E(VDW )=85320.242                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   203014 intra-atom interactions
 NBONDS: found   202960 intra-atom interactions
 NBONDS: found   203025 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0000 -----------------------
 | Etotal =269124.021 grad(E)=258.284    E(BOND)=33458.423  E(ANGL)=43263.874  |
 | E(IMPR)=112157.652 E(VDW )=80244.071                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   202942 intra-atom interactions
 NBONDS: found   202965 intra-atom interactions
 NBONDS: found   202953 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0001 -----------------------
 | Etotal =227415.486 grad(E)=250.912    E(BOND)=31883.927  E(ANGL)=31252.442  |
 | E(IMPR)=89160.763  E(VDW )=75118.354                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   202885 intra-atom interactions
 NBONDS: found   202837 intra-atom interactions
 NBONDS: found   202823 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0001 -----------------------
 | Etotal =210188.561 grad(E)=250.479    E(BOND)=32352.451  E(ANGL)=28547.043  |
 | E(IMPR)=76148.775  E(VDW )=73140.292                                        |
 -------------------------------------------------------------------------------
 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)=211487.610      E(kin)=1299.049      temperature=297.276    |
 | Etotal =210188.561 grad(E)=250.479    E(BOND)=32352.451  E(ANGL)=28547.043  |
 | E(IMPR)=76148.775  E(VDW )=73140.292                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   202785 intra-atom interactions
 NBONDS: found   202775 intra-atom interactions
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=203203.245      E(kin)=5552.061      temperature=1270.543   |
 | Etotal =197651.184 grad(E)=252.497    E(BOND)=32898.517  E(ANGL)=25644.786  |
 | E(IMPR)=67372.569  E(VDW )=71735.312                                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.83521      4.21050    -11.64974
         velocity [A/ps]       :      0.06398     -0.04133     -0.04245
         ang. mom. [amu A/ps]  : -22113.94851  61860.43910  60214.51440
         kin. ener. [Kcal/mol] :      0.26643
 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   199464 intra-atom interactions
 NBONDS: found   200209 intra-atom interactions
 NBONDS: found   200059 intra-atom interactions
 NBONDS: found   200059 intra-atom interactions
 NBONDS: found   200038 intra-atom interactions
 NBONDS: found   200037 intra-atom interactions
 --------------- cycle=    25 ------ stepsize=    0.0002 -----------------------
 | Etotal =54085.578  grad(E)=45.179     E(BOND)=2008.046   E(ANGL)=15181.835  |
 | E(IMPR)=36891.305  E(VDW )=4.393                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   200079 intra-atom interactions
 NBONDS: found   200156 intra-atom interactions
 NBONDS: found   200125 intra-atom interactions
 NBONDS: found   200081 intra-atom interactions
 NBONDS: found   200195 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0005 -----------------------
 | Etotal =23638.340  grad(E)=48.329     E(BOND)=1029.687   E(ANGL)=11776.433  |
 | E(IMPR)=10802.374  E(VDW )=29.846                                           |
 -------------------------------------------------------------------------------
 NBONDS: found   200156 intra-atom interactions
 NBONDS: found   200123 intra-atom interactions
 NBONDS: found   200185 intra-atom interactions
 NBONDS: found   200173 intra-atom interactions
 NBONDS: found   200172 intra-atom interactions
 --------------- cycle=    75 ------ stepsize=    0.0001 -----------------------
 | Etotal =6081.146   grad(E)=31.562     E(BOND)=405.922    E(ANGL)=2317.274   |
 | E(IMPR)=3354.621   E(VDW )=3.329                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   200121 intra-atom interactions
 NBONDS: found   200131 intra-atom interactions
 NBONDS: found   200113 intra-atom interactions
 NBONDS: found   200136 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=    0.0054 -----------------------
 | Etotal =1878.985   grad(E)=35.086     E(BOND)=466.489    E(ANGL)=1321.288   |
 | E(IMPR)=71.456     E(VDW )=19.752                                           |
 -------------------------------------------------------------------------------
 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 
 NBONDS: found   200107 intra-atom interactions
 -------------------------- Cartesian dynamics start ---------------------------
 | E(kin)+E(total)=2239.180        E(kin)=1339.922      temperature=306.630    |
 | Etotal =899.259    grad(E)=8.622      E(BOND)=23.514     E(ANGL)=805.903    |
 | E(IMPR)=68.262     E(VDW )=1.580                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   200180 intra-atom interactions
 NBONDS: found   200256 intra-atom interactions
 NBONDS: found   200000 intra-atom interactions
 NBONDS: found   200085 intra-atom interactions
 NBONDS: found   200111 intra-atom interactions
 NBONDS: found   200144 intra-atom interactions
 NBONDS: found   200154 intra-atom interactions
 NBONDS: found   200152 intra-atom interactions
 NBONDS: found   200214 intra-atom interactions
 NBONDS: found   200225 intra-atom interactions
 NBONDS: found   200277 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2532.062        E(kin)=1508.899      temperature=345.299    |
 | Etotal =1023.163   grad(E)=31.625     E(BOND)=277.484    E(ANGL)=623.338    |
 | E(IMPR)=120.452    E(VDW )=1.890                                            |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.83581      4.20527    -11.65540
         velocity [A/ps]       :      0.16893      0.04753     -0.09732
         ang. mom. [amu A/ps]  :  15134.12715  -5881.17522  22042.93173
         kin. ener. [Kcal/mol] :      1.41088
 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   200200 intra-atom interactions
 NBONDS: found   200243 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0008 -----------------------
 | Etotal =168.165    grad(E)=3.206      E(BOND)=1.197      E(ANGL)=51.425     |
 | E(DIHE)=61.736     E(IMPR)=1.894      E(VDW )=51.913                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   100 ------ stepsize=    0.0011 -----------------------
 | Etotal =119.472    grad(E)=3.037      E(BOND)=0.747      E(ANGL)=50.836     |
 | E(DIHE)=27.705     E(IMPR)=1.487      E(VDW )=38.697                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200173 intra-atom interactions
 --------------- cycle=   150 ------ stepsize=    0.0008 -----------------------
 | Etotal =110.125    grad(E)=2.970      E(BOND)=0.602      E(ANGL)=50.582     |
 | E(DIHE)=23.228     E(IMPR)=1.424      E(VDW )=34.289                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200171 intra-atom interactions
 --------------- cycle=   200 ------ stepsize=    0.0008 -----------------------
 | Etotal =105.567    grad(E)=2.975      E(BOND)=0.620      E(ANGL)=50.597     |
 | E(DIHE)=19.428     E(IMPR)=1.497      E(VDW )=33.425                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=    0.0007 -----------------------
 | Etotal =102.933    grad(E)=2.940      E(BOND)=0.564      E(ANGL)=50.468     |
 | E(DIHE)=18.657     E(IMPR)=1.419      E(VDW )=31.826                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0010 -----------------------
 | Etotal =102.185    grad(E)=2.939      E(BOND)=0.559      E(ANGL)=50.467     |
 | E(DIHE)=18.009     E(IMPR)=1.417      E(VDW )=31.733                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0008 -----------------------
 | Etotal =102.164    grad(E)=2.939      E(BOND)=0.560      E(ANGL)=50.470     |
 | E(DIHE)=17.957     E(IMPR)=1.416      E(VDW )=31.760                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   400 ------ stepsize=    0.0010 -----------------------
 | Etotal =102.163    grad(E)=2.939      E(BOND)=0.560      E(ANGL)=50.469     |
 | E(DIHE)=17.970     E(IMPR)=1.416      E(VDW )=31.747                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   450 ------ stepsize=    0.0010 -----------------------
 | Etotal =102.163    grad(E)=2.939      E(BOND)=0.560      E(ANGL)=50.469     |
 | E(DIHE)=17.966     E(IMPR)=1.416      E(VDW )=31.751                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   500 ------ stepsize=    0.0006 -----------------------
 | Etotal =102.163    grad(E)=2.940      E(BOND)=0.560      E(ANGL)=50.467     |
 | E(DIHE)=17.793     E(IMPR)=1.415      E(VDW )=31.927                        |
 -------------------------------------------------------------------------------
 POWELL: STEP number limit. 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)=1445.538        E(kin)=1343.376      temperature=307.420    |
 | Etotal =102.162    grad(E)=2.940      E(BOND)=0.561      E(ANGL)=50.468     |
 | E(DIHE)=17.847     E(IMPR)=1.416      E(VDW )=31.871                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200256 intra-atom interactions
 NBONDS: found   200143 intra-atom interactions
 NBONDS: found   200052 intra-atom interactions
 NBONDS: found   200228 intra-atom interactions
 NBONDS: found   200237 intra-atom interactions
 NBONDS: found   200173 intra-atom interactions
 NBONDS: found   200107 intra-atom interactions
 NBONDS: found   200116 intra-atom interactions
 NBONDS: found   200120 intra-atom interactions
 NBONDS: found   200116 intra-atom interactions
 NBONDS: found   200070 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2705.199        E(kin)=1483.307      temperature=339.443    |
 | Etotal =1221.891   grad(E)=33.401     E(BOND)=197.033    E(ANGL)=790.821    |
 | E(DIHE)=55.535     E(IMPR)=136.235    E(VDW )=42.267                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.71307      4.53373    -12.25903
         velocity [A/ps]       :     -0.30024      0.03372      0.67910
         ang. mom. [amu A/ps]  :  -6488.15740   1602.10677  14912.22125
         kin. ener. [Kcal/mol] :      0.99539
 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=   -0.0001 -----------------------
 | Etotal =120.196    grad(E)=3.170      E(BOND)=0.702      E(ANGL)=51.528     |
 | E(DIHE)=32.415     E(IMPR)=2.043      E(VDW )=33.509                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   100 ------ stepsize=    0.0002 -----------------------
 | Etotal =106.881    grad(E)=2.961      E(BOND)=0.596      E(ANGL)=50.547     |
 | E(DIHE)=21.085     E(IMPR)=1.423      E(VDW )=33.230                        |
 -------------------------------------------------------------------------------
 NBONDS: found   200209 intra-atom interactions
 --------------- cycle=   150 ------ stepsize=    0.0009 -----------------------
 | Etotal =103.322    grad(E)=2.939      E(BOND)=0.564      E(ANGL)=50.468     |
 | E(DIHE)=18.979     E(IMPR)=1.420      E(VDW )=31.891                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0012 -----------------------
 | Etotal =100.955    grad(E)=2.937      E(BOND)=0.561      E(ANGL)=50.445     |
 | E(DIHE)=17.180     E(IMPR)=1.430      E(VDW )=31.339                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=    0.0012 -----------------------
 | Etotal =100.795    grad(E)=2.934      E(BOND)=0.553      E(ANGL)=50.430     |
 | E(DIHE)=17.265     E(IMPR)=1.414      E(VDW )=31.133                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0009 -----------------------
 | Etotal =100.784    grad(E)=2.934      E(BOND)=0.556      E(ANGL)=50.431     |
 | E(DIHE)=17.169     E(IMPR)=1.416      E(VDW )=31.213                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0011 -----------------------
 | Etotal =100.783    grad(E)=2.934      E(BOND)=0.556      E(ANGL)=50.430     |
 | E(DIHE)=17.166     E(IMPR)=1.416      E(VDW )=31.215                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   400 ------ stepsize=    0.0010 -----------------------
 | Etotal =100.783    grad(E)=2.934      E(BOND)=0.556      E(ANGL)=50.431     |
 | E(DIHE)=17.156     E(IMPR)=1.416      E(VDW )=31.224                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   450 ------ stepsize=    0.0008 -----------------------
 | Etotal =100.682    grad(E)=2.936      E(BOND)=0.562      E(ANGL)=50.437     |
 | E(DIHE)=16.674     E(IMPR)=1.417      E(VDW )=31.592                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   500 ------ stepsize=    0.0006 -----------------------
 | Etotal =100.377    grad(E)=2.932      E(BOND)=0.551      E(ANGL)=50.428     |
 | E(DIHE)=17.037     E(IMPR)=1.415      E(VDW )=30.946                        |
 -------------------------------------------------------------------------------
 POWELL: STEP number limit. 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=   0.314
 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 =      38.474312
 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_11_cns.pdb opened.
 CNSsolve> 
 CNSsolve>stop 
 HEAP: maximum use      =     1860156 current use      =           0 bytes
 HEAP: maximum overhead =        1008 current overhead =          64 bytes
          ============================================================
           Maximum dynamic memory allocation:     1860156 bytes
           Maximum dynamic memory overhead:          1008 bytes
           Program started at: 15:41:49 on 21-Dec-05  
           Program stopped at: 15:42:47 on 21-Dec-05
           CPU time used:      56.7100 seconds
          ============================================================