============================================================
          |                                                          |
          |            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: 15:52:44 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_3.pdb"; 
 DEFINE> 
 DEFINE>{* output coordinate file *} 
 DEFINE>{===>} coordinate_outfile="1xxx_3_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 3 
 COOR>ATOM      1    N GLY A   1       1.692  -0.104  -0.842  1.00 74.22 
 %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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.161750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    3.16175     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.054000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.540000E-01 (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.353250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.353250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.023125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    7.02313     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.226625
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.226625     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.200750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.200750     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.587333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    9.58733     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.289889
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.28989     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.075667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.07567     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.162125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    11.1621     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.627000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.62700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.319875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.31988     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.448000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.4480     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.777750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.777750     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.349000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.34900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.826500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.8265     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.031750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.317500E-01 (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.199875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.19988     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.142800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.1428     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.085300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.08530     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.769500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.76950     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    83.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.755167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.7552     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.200000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.20000     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.931333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.93133     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    93.0000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.869333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.8693     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.193000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.19300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.789333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.78933     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.257692
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.2577     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.230692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.23069     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.118846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.1188     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    127.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.929900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.9299     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.830300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.83030     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.389000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.3890     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.329692
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    14.3297     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.100308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.100308     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.518846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.5188     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.454000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.4540     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.614118
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.61412     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.606000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.6060     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.053923
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.0539     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.930615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.930615     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.398538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.3985     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    214.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.545125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.5451     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.546500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.546500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.041000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.0410     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.199000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.1990     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.763706
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.76371     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.934647
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.9346     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.509786
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    18.5098     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.922571
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.92257     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.454286
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.4543     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.003111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.0031     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.764944
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.76494     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.266778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.2668     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.759900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.7599     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.443100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.44310     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.759500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.7595     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.231100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.2311     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.602900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6029     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.670800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.6708     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.343333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.3433     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.746167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.7462     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.258667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.2587     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.966500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.9665     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.317200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3172     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.312100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.3121     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.686750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.6868     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.836250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.8363     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -26.225750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -26.2258     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.606375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.6064     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.989875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.9899     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.380000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.3800     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.066500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.0665     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.472400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.4724     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.235100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.2351     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.549100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.5491     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.348000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3480     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.292400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.2924     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.115667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.1157     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.563167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.5632     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.743833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.7438     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.950500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.9505     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.397300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3973     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.310600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.3106     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.673000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.6730     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.150000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.1500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.274500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.2745     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.873200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.8732     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.802500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.8025     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.972900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.9729     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.294800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.2948     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.806800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.80680     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.061000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.0610     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      19.236308
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    19.2363     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.800231
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.8002     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.951462
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.9515     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.113700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.1137     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.373800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3738     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.923400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.9234     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.565700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.5657     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.448600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.44860     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.584800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.5848     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    524.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.039500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.0395     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.260750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.26075     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.612875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.61288     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.649231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.6492     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.385769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3858     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.397077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.39708     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.104800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    15.1048     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.153000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.15300     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.033900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.03390     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.472857
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.4729     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.799524
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.79952     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.369143
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.36914     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.372900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.3729     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.794200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.79420     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.372400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.37240     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.945000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    16.9450     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.598077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.59808     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.658154
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.65815     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.415250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    20.4153     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.636375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.6364     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.869250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.869250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    657.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.270000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.2700     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.824600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.8246     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.812900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.812900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.769444
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    17.7694     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.257333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.25733     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.285000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.28500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.504538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    21.5045     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.772462
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.77246     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.715846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.71585     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    712.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.880500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.8805     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.587750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.58775     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.867500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.86750     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.272500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2725     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.310700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.3107     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.838800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    1.83880     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.300000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.3000     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.163500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.16350     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.704500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.70450     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.184400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.1844     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.712800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.71280     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.403700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    2.40370     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    777.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.715222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.7152     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.704889
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.70489     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.857333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.85733     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    794.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.851500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.8515     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.751900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.75190     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.723800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.72380     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    813.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.822700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.8227     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.899100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.899100     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.000900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.900000E-03 (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    828.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.801100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.8011     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.207900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.20790     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.177300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.17730     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.433900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.4339     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.659700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.65970     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.873900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.87390     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    866.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.966889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.9669     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.128111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.128111     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.128778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.12878     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    882.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.590100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.5901     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.087200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -3.08720     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.182600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.18260     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.234100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.2341     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.017900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   0.179000E-01 (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.375200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.3752     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.043300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.0433     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.683600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.683600     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.025400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.0254     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    933.000     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.492529
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.4925     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.125235
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -6.12524     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.745824
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.74582     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.974600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.9746     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.273300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -6.27330     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.062600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.0626     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.122750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.1228     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.418000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.41800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.231750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.2318     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.016000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.0160     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.767000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.76700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.443833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.4438     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.074500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.0745     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.171400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.17140     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.434600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.4346     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1008.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.092500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.0925     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.586000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.5860     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.659000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.6590     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1022.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.251875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.2519     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.246125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.2461     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.203375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.2034     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.282200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.2822     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.035300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -16.0353     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.874000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.8740     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.294500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.2945     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.074800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.0748     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.082800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.0828     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.970000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.9700     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.586000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.58600     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.211200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.2112     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1087.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.033000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.0330     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.980167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -12.9802     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.261833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.2618     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.194538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.1945     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.281923
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.2819     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.361000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.3610     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.477778
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.4778     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.322000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.3220     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.867556
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.8676     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.919100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.9191     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.285400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.28540     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.679800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.6798     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.455500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.4555     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.399250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.3993     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -12.259750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -12.2598     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.046600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.0466     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.593000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.5930     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.277300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.27730     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1178.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      22.130769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    22.1308     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.568846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.56885     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.550000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.5500     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1202.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.028750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.0288     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.571750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -8.57175     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.330750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.33075     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1216.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.168250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.1683     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.785500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.78550     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.422500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.42250     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.628625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.6286     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.859500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.85950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.616375
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.61638     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.625000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.6250     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.722875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.72287     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.085625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.08563     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.341300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.3413     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.639500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -6.63950     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.878400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.878400     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.824800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.8248     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.458500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.4585     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.592200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.59220     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.150500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.1505     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.026167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.0262     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.312167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.31217     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.358667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.3587     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.918000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.9180     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.626333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.62633     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.849833
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.8498     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.032500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.0325     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.380167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.38017     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.811300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.8113     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.328400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.3284     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.676800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.67680     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.608333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.6083     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.744333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.7443     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.580556
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.58056     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.980667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9807     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.139667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -16.1397     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.971778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.97178     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.289250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.2893     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.189250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -19.1893     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.129000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.12900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.429200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.4292     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.444900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -18.4449     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.661600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.66160     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1381.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.144462
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.1445     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.105308
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -17.1053     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.937154
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.93715     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1405.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.255615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.2556     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.906846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -21.9068     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.717000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.71700     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1429.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.757100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.7571     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.521300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -21.5213     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.966000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.96600     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.735875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.7359     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.603125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -24.6031     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.572750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.57275     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.547000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.5470     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.236500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -22.2365     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.230750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.23075     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.475750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.4758     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.772750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -19.7728     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.463750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.463750     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      50.969000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    50.9690     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.067250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    21.0673     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.005750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.00575     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      47.402500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    47.4025     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.423750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    20.4238     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.357875
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.35788     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1490.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.634556
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.6346     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.698222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.6982     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.728111
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.72811     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.550000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.5500     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.489125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4891     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.543000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.54300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.024250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.0242     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.303750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.3038     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.541750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.54175     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.699750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.6997     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.406000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.4060     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.911250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.91125     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.794000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.7940     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.523100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.5231     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.129100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.1291     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.604500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.6045     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.479000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.4790     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.654500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.6545     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.117000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.1170     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.127500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.12750     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.258500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.25850     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.759385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.7594     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.604462
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.60446     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.246538
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.2465     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.148800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.1488     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.291000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.29100     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.343400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.3434     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.191923
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.1919     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.905615
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.90562     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.945769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.9458     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.377647
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.3776     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.386706
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.38671     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.875294
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.87529     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1659.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.928615
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.9286     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.566154
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.56615     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.897846
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.8978     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1683.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.969625
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.9696     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.041375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.04138     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.640500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -14.6405     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      5 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1694.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.243824
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.2438     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.342882
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -2.34288     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.293765
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.29376     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1714.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      43.730786
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    43.7308     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.432000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.43200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     14 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.974643
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -11.9746     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1732.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.093056
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.0931     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.902500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.90250     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     18 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.594611
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -9.59461     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1753.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.165100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.1651     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.076700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.07670     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.395900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.39590     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.754500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.7545     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -14.179700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -14.1797     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.805200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.80520     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      45.876667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    45.8767     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.173167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -13.1732     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.094500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.09450     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      44.605300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    44.6053     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.172000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.1720     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.342600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.34260     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.038000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.0380     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -11.117000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -11.1170     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.035750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.03575     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.717125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.7171     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.178125
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -10.1781     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.243125
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.24313     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.779000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.7790     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -9.504400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -9.50440     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.282900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.282900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.351400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.3514     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.508500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -7.50850     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.443900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.443900     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      6 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1860.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.297167
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.2972     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.195000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -5.19500     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.129833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.12983     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.478200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.4782     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.389600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -4.38960     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.660600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.66060     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.585500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.5855     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.908000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.90800     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.015667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.156667E-01 (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      42.688800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    42.6888     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.611400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to   -1.61140     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.931600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.93160     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      8 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1916.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.290000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.2900     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.182700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to  -0.182700     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.536900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.53690     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.880231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.8802     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       1.771692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    1.77169     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.568692
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.568692     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.103700
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.1037     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.892700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.89270     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.857400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.857400     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      41.129400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    41.1294     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.601400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.60140     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.343000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.34300     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    1993.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.893000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.8930     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.014750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.01475     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.123500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.12350     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.239385
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.2394     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.629923
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.62992     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.094923
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.949231E-01 (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      40.755100
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    40.7551     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.041400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.0414     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.397700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.39770     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.804429
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.8044     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.450524
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.45052     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     21 atoms have been selected out of   2941
 SHOW: average of selected elements =      -8.862857
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -8.86286     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.288200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.2882     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.974000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.9740     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.190100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.19010     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.506231
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.5062     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.548077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.5481     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -2.664154
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -2.66415     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.838250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.8383     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.668375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.6684     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       0.878000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   0.878000     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      7 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2126.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.923200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.9232     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.407800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.4078     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.482100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to    3.48210     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.785111
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.7851     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.235222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.2352     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.062333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.623333E-01 (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.511538
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.5115     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.047846
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.0478     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      -3.795462
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -3.79546     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.728375
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.7284     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.784500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.7845     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      -1.030750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -1.03075     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      24.736200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    24.7362     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.831400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.8314     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -0.516800
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to  -0.516800     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     13 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2214.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.215600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.2156     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.260700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.2607     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -4.787300
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -4.78730     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.908900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.9089     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.038800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.0388     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -6.236100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -6.23610     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.280222
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2802     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.939444
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.9394     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      -5.018000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -5.01800     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.707800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.7078     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.276200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.2762     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      -7.483100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -7.48310     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.147800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.1478     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.942900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.9429     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.957000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.9570     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.823400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.8234     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.882800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.8828     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.375900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.3759     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.137800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.1378     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.814300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.81430     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -10.511100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -10.5111     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.009556
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.0096     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.198222
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.1982     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -13.932556
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -13.9326     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.485400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.4854     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.393700
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.3937     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.362900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.3629     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2370.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.747300
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.7473     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.332000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.33200     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.192400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.1924     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.166200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.1662     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.818400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.81840     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.181400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.1814     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.842706
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.8427     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =       9.995941
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    9.99594     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     17 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.804765
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.8048     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:      9 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2422.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.895900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.8959     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.880500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.88050     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.547100
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.5471     (real)
 CNSsolve> 
 CNSsolve>       do (x=$ave_x) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (y=$ave_y) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve>       do (z=$ave_z) (byres(id $id) and store1) 
 SELRPN:     11 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     end loop avco 
 CNSsolve>     for $id in id (tag and byres(store1)) loop avco 
 FOR ID LOOP: symbol ID set to    2441.00     (real)
 CNSsolve> 
 CNSsolve>       show ave(x) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.772000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.7720     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =       3.521750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    3.52175     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -21.196750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -21.1968     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.204667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.2047     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.179333
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.17933     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.149833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.1498     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.414600
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.4146     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.852300
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.85230     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.227600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.2276     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.084125
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.0841     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       4.704875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    4.70488     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -28.724250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -28.7243     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.085750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.0858     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =       2.214375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    2.21438     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.806625
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.8066     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.142500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.1425     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.777200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.77720     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.473500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.4735     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.374400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.3744     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       8.601900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    8.60190     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.215700
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.2157     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      32.226000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    32.2260     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       5.445800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    5.44580     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.124600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.1246     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      36.009000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    36.0090     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =       6.482500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    6.48250     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.532167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.5322     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.854769
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.8548     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.707769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.7078     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -30.544000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -30.5440     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      34.433889
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    34.4339     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.806889
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.8069     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.205444
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.2054     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      37.286400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    37.2864     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =       7.979800
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    7.97980     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.440600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.4406     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.966500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    39.9665     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      11.450500
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    11.4505     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.859000
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.8590     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.475900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.4759     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.044400
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.0444     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -24.293900
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -24.2939     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      38.408462
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    38.4085     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      10.763692
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    10.7637     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -19.032769
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -19.0328     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      35.204000
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    35.2040     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.414250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.4143     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -18.892500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -18.8925     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      33.956750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    33.9568     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.705250
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.7053     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.269250
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.2693     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.126250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.1263     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.816000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.8160     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -15.563750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -15.5638     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      27.569250
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    27.5693     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.452875
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.4529     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -16.872750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -16.8728     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.024200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.0242     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.589900
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.5899     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -17.565400
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -17.5654     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.905900
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.9059     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.658600
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.6586     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -20.616600
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -20.6166     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.894333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.8943     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.654167
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.6542     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -22.152167
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -22.1522     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      26.588500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    26.5885     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      15.791667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    15.7917     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -23.460333
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -23.4603     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.247667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2477     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =      18.468833
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    18.4688     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      6 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.359833
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.3598     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      31.265400
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    31.2654     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.102100
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.1021     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -25.995500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -25.9955     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.270667
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2707     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.327111
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3271     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -27.305778
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -27.3058     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.431444
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.4314     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.961778
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.9618     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      9 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.069889
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.0699     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.336500
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.3365     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      16.600750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    16.6008     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -31.934500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -31.9345     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      30.098200
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    30.0982     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      13.339000
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    13.3390     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.101200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.1012     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.663692
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.6637     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      14.004077
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    14.0041     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -31.888231
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -31.8882     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.665462
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    23.6655     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =      12.934769
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    12.9348     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     13 atoms have been selected out of   2941
 SHOW: average of selected elements =     -37.729077
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -37.7291     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      25.273800
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    25.2738     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =      17.794200
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    17.7942     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:     10 atoms have been selected out of   2941
 SHOW: average of selected elements =     -34.772200
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -34.7722     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      28.283875
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    28.2839     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =      20.908375
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    20.9084     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      8 atoms have been selected out of   2941
 SHOW: average of selected elements =     -36.115750
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -36.1158     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.348750
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.3488     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =      21.659750
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    21.6598     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      4 atoms have been selected out of   2941
 SHOW: average of selected elements =     -32.875500
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -32.8755     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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 $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      29.253333
 CNSsolve>       evaluate ($ave_x=$result) 
 EVALUATE: symbol $AVE_X set to    29.2533     (real)
 CNSsolve>       show ave(y) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =      23.035667
 CNSsolve>       evaluate ($ave_y=$result) 
 EVALUATE: symbol $AVE_Y set to    23.0357     (real)
 CNSsolve>       show ave(z) (byres(id $id) and known) 
 SELRPN:      3 atoms have been selected out of   2941
 SHOW: average of selected elements =     -29.848667
 CNSsolve>       evaluate ($ave_z=$result) 
 EVALUATE: symbol $AVE_Z set to   -29.8487     (real)
 CNSsolve> 
 CNSsolve>       do (x=$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   209360 intra-atom interactions
 NBONDS: found       24 nonbonded violations
 %atoms "    -310 -ARG -HN  " and "    -310 -ARG -HB1 " only  0.06 A apart
 %atoms "    -392 -PRO -HG2 " and "    -392 -PRO -HD1 " only  0.08 A apart
 NBONDS: found   209433 intra-atom interactions
 NBONDS: found        2 nonbonded violations
 NBONDS: found   201979 intra-atom interactions
 NBONDS: found   205068 intra-atom interactions
 NBONDS: found   202511 intra-atom interactions
 NBONDS: found   203389 intra-atom interactions
 NBONDS: found   204002 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=    0.0005 -----------------------
 | Etotal =761660.713 grad(E)=566.612    E(BOND)=111601.291 E(ANGL)=359991.989 |
 | E(VDW )=290067.434                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   204633 intra-atom interactions
 NBONDS: found   204904 intra-atom interactions
 NBONDS: found   204753 intra-atom interactions
 NBONDS: found   205182 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=    0.0006 -----------------------
 | Etotal =247638.740 grad(E)=326.418    E(BOND)=38231.812  E(ANGL)=79808.341  |
 | E(VDW )=129598.587                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   205231 intra-atom interactions
 NBONDS: found   205300 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0005 -----------------------
 | Etotal =211097.620 grad(E)=306.878    E(BOND)=35956.796  E(ANGL)=60681.646  |
 | E(VDW )=114459.178                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   205352 intra-atom interactions
 NBONDS: found   205300 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0005 -----------------------
 | Etotal =204451.658 grad(E)=303.002    E(BOND)=34639.515  E(ANGL)=57457.121  |
 | E(VDW )=112355.022                                                          |
 -------------------------------------------------------------------------------
 NBONDS: found   205379 intra-atom interactions
 NBONDS: found   205384 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0006 -----------------------
 | Etotal =203712.195 grad(E)=302.993    E(BOND)=34768.435  E(ANGL)=57251.719  |
 | E(VDW )=111692.042                                                          |
 -------------------------------------------------------------------------------
 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)=975568.575      E(kin)=1331.451      temperature=304.691    |
 | Etotal =974237.125 grad(E)=648.298    E(BOND)=34768.435  E(ANGL)=57251.719  |
 | E(IMPR)=882216.971                                                          |
 -------------------------------------------------------------------------------
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=622593.171      E(kin)=106988.809    temperature=24483.501  |
 | Etotal =515604.361 grad(E)=353.832    E(BOND)=55699.267  E(ANGL)=206974.924 |
 | E(IMPR)=252930.170                                                          |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.49218      3.66520    -11.76171
         velocity [A/ps]       :      1.84898     -0.48063     -1.24306
         ang. mom. [amu A/ps]  :-450258.98842-280419.85108 -47230.18846
         kin. ener. [Kcal/mol] :    182.02138
 CNSsolve> 
 CNSsolve>     flags include vdw end 
 CNSsolve> 
 CNSsolve>     minimize powell nstep=50 nprint=10 end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: found   204830 intra-atom interactions
 NBONDS: found   204716 intra-atom interactions
 NBONDS: found   204830 intra-atom interactions
 NBONDS: found   204978 intra-atom interactions
 --------------- cycle=    10 ------ stepsize=   -0.0001 -----------------------
 | Etotal =489421.923 grad(E)=337.485    E(BOND)=44193.935  E(ANGL)=107907.586 |
 | E(IMPR)=245897.533 E(VDW )=91422.869                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   205148 intra-atom interactions
 NBONDS: found   205302 intra-atom interactions
 NBONDS: found   205334 intra-atom interactions
 --------------- cycle=    20 ------ stepsize=   -0.0001 -----------------------
 | Etotal =346619.608 grad(E)=265.147    E(BOND)=36667.521  E(ANGL)=62553.273  |
 | E(IMPR)=160413.829 E(VDW )=86984.985                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   205323 intra-atom interactions
 NBONDS: found   205260 intra-atom interactions
 --------------- cycle=    30 ------ stepsize=    0.0001 -----------------------
 | Etotal =268764.854 grad(E)=263.142    E(BOND)=36314.780  E(ANGL)=44948.295  |
 | E(IMPR)=107771.409 E(VDW )=79730.369                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   205224 intra-atom interactions
 NBONDS: found   205256 intra-atom interactions
 NBONDS: found   205223 intra-atom interactions
 --------------- cycle=    40 ------ stepsize=    0.0000 -----------------------
 | Etotal =223266.295 grad(E)=250.788    E(BOND)=32205.981  E(ANGL)=30747.842  |
 | E(IMPR)=85268.425  E(VDW )=75044.047                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   205223 intra-atom interactions
 NBONDS: found   205083 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=    0.0001 -----------------------
 | Etotal =203740.467 grad(E)=253.650    E(BOND)=33312.447  E(ANGL)=28050.058  |
 | E(IMPR)=68750.575  E(VDW )=73627.387                                        |
 -------------------------------------------------------------------------------
 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)=205039.516      E(kin)=1299.049      temperature=297.276    |
 | Etotal =203740.467 grad(E)=253.650    E(BOND)=33312.447  E(ANGL)=28050.058  |
 | E(IMPR)=68750.575  E(VDW )=73627.387                                        |
 -------------------------------------------------------------------------------
 NBONDS: found   205044 intra-atom interactions
 NBONDS: found   205105 intra-atom interactions
 NBONDS: found   205058 intra-atom interactions
 -------------------- final step=    50 at      0.02500 ps ---------------------
 | E(kin)+E(total)=194961.490      E(kin)=6250.321      temperature=1430.334   |
 | Etotal =188711.169 grad(E)=253.164    E(BOND)=33014.598  E(ANGL)=23839.852  |
 | E(IMPR)=59517.005  E(VDW )=72339.714                                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.49611      3.67912    -11.76298
         velocity [A/ps]       :      0.05047      0.00076      0.00453
         ang. mom. [amu A/ps]  :  67540.33150  -2855.38156  19313.92817
         kin. ener. [Kcal/mol] :      0.08999
 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   201704 intra-atom interactions
 NBONDS: found   202577 intra-atom interactions
 NBONDS: found   202598 intra-atom interactions
 NBONDS: found   202566 intra-atom interactions
 NBONDS: found   202482 intra-atom interactions
 --------------- cycle=    25 ------ stepsize=    0.0002 -----------------------
 | Etotal =48137.886  grad(E)=38.385     E(BOND)=1136.197   E(ANGL)=11106.601  |
 | E(IMPR)=35894.995  E(VDW )=0.093                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   202543 intra-atom interactions
 NBONDS: found   202575 intra-atom interactions
 NBONDS: found   202539 intra-atom interactions
 NBONDS: found   202612 intra-atom interactions
 NBONDS: found   202548 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=   -0.0001 -----------------------
 | Etotal =27384.296  grad(E)=58.488     E(BOND)=1398.976   E(ANGL)=11874.342  |
 | E(IMPR)=14089.547  E(VDW )=21.431                                           |
 -------------------------------------------------------------------------------
 NBONDS: found   202451 intra-atom interactions
 NBONDS: found   202521 intra-atom interactions
 NBONDS: found   202566 intra-atom interactions
 NBONDS: found   202480 intra-atom interactions
 NBONDS: found   202520 intra-atom interactions
 --------------- cycle=    75 ------ stepsize=    0.0007 -----------------------
 | Etotal =3075.709   grad(E)=31.635     E(BOND)=140.328    E(ANGL)=2371.860   |
 | E(IMPR)=559.287    E(VDW )=4.234                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   202544 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=    0.0001 -----------------------
 | Etotal =51.112     grad(E)=2.662      E(BOND)=0.046      E(ANGL)=49.893     |
 | E(IMPR)=1.152      E(VDW )=0.021                                            |
 -------------------------------------------------------------------------------
 POWELL: STEP number limit. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     do (vx=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vy=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vz=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     dynamics cartesian 
 Cartesian Dynamics>       nstep=$nstep 
 Cartesian Dynamics>       timestep=$timestep 
 Cartesian Dynamics>       tcoupling=true temperature=$bath 
 DCART: temperature coupling (TCOUpling) enabled
 Cartesian Dynamics>       nprint=$nstep 
 Cartesian Dynamics>       cmremove=false 
 Cartesian Dynamics>     end 
 -------------------------- Cartesian dynamics start ---------------------------
 | E(kin)+E(total)=1391.034        E(kin)=1339.922      temperature=306.630    |
 | Etotal =51.112     grad(E)=2.662      E(BOND)=0.046      E(ANGL)=49.893     |
 | E(IMPR)=1.152      E(VDW )=0.021                                            |
 -------------------------------------------------------------------------------
 NBONDS: found   202505 intra-atom interactions
 NBONDS: found   202576 intra-atom interactions
 NBONDS: found   202607 intra-atom interactions
 NBONDS: found   202597 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2358.149        E(kin)=1441.773      temperature=329.938    |
 | Etotal =916.376    grad(E)=29.919     E(BOND)=186.766    E(ANGL)=588.833    |
 | E(IMPR)=139.612    E(VDW )=1.166                                            |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.49656      3.67455    -11.76846
         velocity [A/ps]       :      0.14197     -0.04293     -0.07842
         ang. mom. [amu A/ps]  :  10109.99609   6412.45293  23795.02529
         kin. ener. [Kcal/mol] :      0.98623
 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   202587 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=   -0.0001 -----------------------
 | Etotal =171.294    grad(E)=3.405      E(BOND)=1.012      E(ANGL)=54.469     |
 | E(DIHE)=63.945     E(IMPR)=1.797      E(VDW )=50.071                        |
 -------------------------------------------------------------------------------
 NBONDS: found   202523 intra-atom interactions
 --------------- cycle=   100 ------ stepsize=    0.0004 -----------------------
 | Etotal =126.477    grad(E)=3.150      E(BOND)=0.726      E(ANGL)=51.419     |
 | E(DIHE)=34.922     E(IMPR)=1.876      E(VDW )=37.535                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   150 ------ stepsize=    0.0001 -----------------------
 | Etotal =115.266    grad(E)=2.997      E(BOND)=0.658      E(ANGL)=50.775     |
 | E(DIHE)=25.872     E(IMPR)=1.365      E(VDW )=36.597                        |
 -------------------------------------------------------------------------------
 NBONDS: found   202493 intra-atom interactions
 --------------- cycle=   200 ------ stepsize=    0.0002 -----------------------
 | Etotal =113.468    grad(E)=3.003      E(BOND)=0.648      E(ANGL)=50.796     |
 | E(DIHE)=24.797     E(IMPR)=1.383      E(VDW )=35.843                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=    0.0001 -----------------------
 | Etotal =112.703    grad(E)=2.992      E(BOND)=0.641      E(ANGL)=50.745     |
 | E(DIHE)=24.141     E(IMPR)=1.359      E(VDW )=35.817                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0003 -----------------------
 | Etotal =112.610    grad(E)=2.992      E(BOND)=0.643      E(ANGL)=50.745     |
 | E(DIHE)=23.984     E(IMPR)=1.360      E(VDW )=35.878                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0003 -----------------------
 | Etotal =112.604    grad(E)=2.992      E(BOND)=0.643      E(ANGL)=50.743     |
 | E(DIHE)=23.995     E(IMPR)=1.360      E(VDW )=35.863                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   400 ------ stepsize=    0.0002 -----------------------
 | Etotal =112.604    grad(E)=2.992      E(BOND)=0.643      E(ANGL)=50.743     |
 | E(DIHE)=23.992     E(IMPR)=1.360      E(VDW )=35.867                        |
 -------------------------------------------------------------------------------
 POWELL: Gradient converged. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     flags exclude * include bond angl impr dihe vdw end 
 CNSsolve> 
 CNSsolve>     {- return masses to something sensible -} 
 CNSsolve>     do (mass=refy) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     do (vx=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vy=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve>     do (vz=maxwell($bath)) (store1) 
 SELRPN:   1466 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve>     dynamics cartesian 
 Cartesian Dynamics>       nstep=$nstep 
 Cartesian Dynamics>       timestep=$timestep 
 Cartesian Dynamics>       tcoupling=true temperature=$bath 
 DCART: temperature coupling (TCOUpling) enabled
 Cartesian Dynamics>       nprint=$nstep 
 Cartesian Dynamics>       cmremove=false 
 Cartesian Dynamics>     end 
 -------------------------- Cartesian dynamics start ---------------------------
 | E(kin)+E(total)=1455.979        E(kin)=1343.376      temperature=307.420    |
 | Etotal =112.604    grad(E)=2.992      E(BOND)=0.643      E(ANGL)=50.743     |
 | E(DIHE)=23.993     E(IMPR)=1.360      E(VDW )=35.866                        |
 -------------------------------------------------------------------------------
 NBONDS: found   202624 intra-atom interactions
 NBONDS: found   202594 intra-atom interactions
 NBONDS: found   202659 intra-atom interactions
 NBONDS: found   202662 intra-atom interactions
 NBONDS: found   202521 intra-atom interactions
 NBONDS: found   202550 intra-atom interactions
 NBONDS: found   202527 intra-atom interactions
 NBONDS: found   202498 intra-atom interactions
 NBONDS: found   202516 intra-atom interactions
 NBONDS: found   202481 intra-atom interactions
 NBONDS: found   202564 intra-atom interactions
 NBONDS: found   202553 intra-atom interactions
 -------------------- final step=   500 at      0.25000 ps ---------------------
 | E(kin)+E(total)=2715.550        E(kin)=1439.343      temperature=329.382    |
 | Etotal =1276.207   grad(E)=34.073     E(BOND)=203.330    E(ANGL)=817.681    |
 | E(DIHE)=59.349     E(IMPR)=140.449    E(VDW )=55.397                        |
 -------------------------------------------------------------------------------
 CENMAS: Information about center of free masses
         position [A]          :     29.48016      4.06631    -12.09291
         velocity [A/ps]       :     -0.26385      0.49360      0.38025
         ang. mom. [amu A/ps]  : -23155.25654  -3172.53881  14168.10763
         kin. ener. [Kcal/mol] :      0.82492
 CNSsolve> 
 CNSsolve>     {- some final minimisation -} 
 CNSsolve>     minimize powell 
 POWELL>       nstep=500 
 POWELL>       drop=40.0 
 POWELL>       nprint=50 
 POWELL>     end 
 POWELL: number of degrees of freedom=  4398
 NBONDS: found   202489 intra-atom interactions
 --------------- cycle=    50 ------ stepsize=   -0.0002 -----------------------
 | Etotal =129.476    grad(E)=3.136      E(BOND)=1.083      E(ANGL)=51.265     |
 | E(DIHE)=31.967     E(IMPR)=1.653      E(VDW )=43.508                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   100 ------ stepsize=    0.0003 -----------------------
 | Etotal =114.678    grad(E)=2.998      E(BOND)=0.673      E(ANGL)=50.766     |
 | E(DIHE)=26.111     E(IMPR)=1.414      E(VDW )=35.715                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   150 ------ stepsize=   -0.0004 -----------------------
 | Etotal =111.788    grad(E)=2.985      E(BOND)=0.646      E(ANGL)=50.690     |
 | E(DIHE)=23.679     E(IMPR)=1.360      E(VDW )=35.413                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   200 ------ stepsize=    0.0000 -----------------------
 | Etotal =111.584    grad(E)=2.981      E(BOND)=0.648      E(ANGL)=50.698     |
 | E(DIHE)=23.486     E(IMPR)=1.358      E(VDW )=35.394                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   250 ------ stepsize=    0.0000 -----------------------
 | Etotal =111.563    grad(E)=2.982      E(BOND)=0.645      E(ANGL)=50.694     |
 | E(DIHE)=23.531     E(IMPR)=1.358      E(VDW )=35.334                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   300 ------ stepsize=    0.0003 -----------------------
 | Etotal =111.562    grad(E)=2.981      E(BOND)=0.645      E(ANGL)=50.693     |
 | E(DIHE)=23.540     E(IMPR)=1.358      E(VDW )=35.325                        |
 -------------------------------------------------------------------------------
 --------------- cycle=   350 ------ stepsize=    0.0002 -----------------------
 | Etotal =111.562    grad(E)=2.981      E(BOND)=0.645      E(ANGL)=50.693     |
 | E(DIHE)=23.541     E(IMPR)=1.358      E(VDW )=35.324                        |
 -------------------------------------------------------------------------------
 POWELL: Gradient converged. Normal termination
 POWELL: Current coordinates set to last minimum
 CNSsolve> 
 CNSsolve>     print thres=0.02 bonds 
 (atom-i        |atom-j        )    dist.   equil.   delta    energy   const. 

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

 Number of violations greater    5.000:     0
 RMS deviation=   0.315
 CNSsolve> 
 CNSsolve>   end if 
 CNSsolve> 
 CNSsolve>   fix selection=( none ) end 
 SELRPN:      0 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve> end if 
 CNSsolve> 
 CNSsolve> set echo=false end 
 SELRPN:      0 atoms have been selected out of   2941
 SHOW: zero atoms selected
 NEXTCD: condition evaluated as true
 SELRPN:      0 atoms have been selected out of   2941
 CNSsolve> 
 CNSsolve> if (&set_bfactor=true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   do (b=&bfactor) ( all ) 
 CNSsolve> else 
 CNSsolve>   show ave(b) (known and not(store1)) 
 SELRPN:   1475 atoms have been selected out of   2941
 SHOW: average of selected elements =      39.194420
 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_3_cns.pdb opened.
 CNSsolve> 
 CNSsolve>stop 
 HEAP: maximum use      =     1871924 current use      =           0 bytes
 HEAP: maximum overhead =        1016 current overhead =          64 bytes
          ============================================================
           Maximum dynamic memory allocation:     1871924 bytes
           Maximum dynamic memory overhead:          1016 bytes
           Program started at: 15:52:44 on 21-Dec-05  
           Program stopped at: 15:53:36 on 21-Dec-05
           CPU time used:      52.0700 seconds
          ============================================================