*HEADER    LIGASE/PEPTIDE                          27-OCT-15   2N8T              
*TITLE     SOLUTION STRUCTURE OF THE RNEDD4 WW2 DOMAIN-CX43CT PEPTIDE COMPLEX BY 
*TITLE    2 NMR                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE NEDD4;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: WW2 DOMAIN;                                                
*COMPND   5 EC: 6.3.2.-;                                                         
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: CX43CT PEPTIDE;                                            
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 SYNONYM: CONNEXIN-43, CX43, GAP JUNCTION 43 KDA HEART PROTEIN;       
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   3 ORGANISM_COMMON: BROWN RAT,RAT,RATS;                                 
*SOURCE   4 ORGANISM_TAXID: 10116;                                               
*SOURCE   5 GENE: NEDD4, NEDD4A;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGEX-KT;                                   
*SOURCE   9 MOL_ID: 2;                                                           
*SOURCE  10 SYNTHETIC: YES;                                                      
*SOURCE  11 OTHER_DETAILS: CHEMICALLY SYNTHESIZED, PURCHASED FROM A VENDOR       
*KEYWDS    RNEDD4 WW2, CX43CT, PHOSPHORYLATION, LIGASE, LIGASE-PEPTIDE COMPLEX   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    G.SPAGNOL, F.KIEKEN, P.L.SORGEN                                       
*REVDAT   1   24-FEB-16 2N8T    0                                                


          ============================================================
          |                                                          |
          |            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: adama (Unix-g77,32-bit)
           Program started by: fkieken
           Program started at: 12:41:03 on 03-Sep-2015
          ============================================================

 FFT3C: Using FFTPACK4.1

 CNSsolve>!$Revision: 1.2 $ 
 CNSsolve>!$Date: 2016/02/16 21:17:07 $ 
 CNSsolve>!$RCSfile: rcsb104566.mr,v $ 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>! merge.inp 
 CNSsolve>! reads in several data lists and merges them 
 CNSsolve>! outputs "ambig.tbl" and "unambig.tbl" 
 CNSsolve>!     ************************************ 
 CNSsolve>!     * Authors and copyright:           * 
 CNSsolve>!     * Michael Nilges, Jens Linge, EMBL * 
 CNSsolve>!     * No warranty implied or expressed * 
 CNSsolve>!     * All rights reserved              * 
 CNSsolve>!     ************************************ 
 CNSsolve> 
 CNSsolve>! set abort off end  ! for testing only 
 CNSsolve>set abort normal end 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>@RUN:protocols/initialize.cns 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/protocols/initialize.cns opened.
 CNSsolve>!$Revision: 1.2 $ 
 CNSsolve>!$Date: 2016/02/16 21:17:07 $ 
 CNSsolve>!$RCSfile: rcsb104566.mr,v $ 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>module (spectrum;iteration;) 
 MODULE-INVOCATION>(spectrum=$spectrum;iteration=$iteration;) 
 &_2_SPECTRUM set to $_1_SPECTRUM 
 &_2_ITERATION set to $_1_ITERATION 
 CNSsolve>evaluate (&spectrum = "") 
 EVALUATE: symbol $_1_SPECTRUM set to "" (string)
 CNSsolve>evaluate (&iteration = "") 
 EVALUATE: symbol $_1_ITERATION set to "" (string)
 CNSsolve> 
 CNSsolve> 
 CNSsolve>@NEWIT:iteration.cns(iteration=$iteration;) 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/finaldata/iteration.cns opened.
 CNSsolve>module ( iteration ) 
 &_2_ITERATION set to $_1_ITERATION 
 CNSsolve>evaluate (&iteration=8) 
 EVALUATE: symbol $_1_ITERATION set to    8.00000     (real)
 CNSsolve> 
 CNSsolve>!!! @SPECTRUM:spectrum.cns(spectrum=$spectrum;) 
 CNSsolve> 
 CNSsolve>@RUN:run.cns( 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/run.cns opened.
 CNSsolve>!$Revision: 1.2 $ 
 CNSsolve>!$Date: 2016/02/16 21:17:07 $ 
 CNSsolve>!$RCSfile: rcsb104566.mr,v $ 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>module( 
 MODULE-DECLARATION>spectrum; 
 MODULE-DECLARATION>iteration; 
 MODULE-DECLARATION>filenames; 
 MODULE-DECLARATION>spectra; 
 MODULE-DECLARATION>data; 
 MODULE-DECLARATION>iterations; 
 MODULE-DECLARATION>saprotocol; 
 MODULE-DECLARATION>refine; 
 MODULE-DECLARATION>relax; 
 MODULE-DECLARATION>toppar; 
 MODULE-DECLARATION>analysis; 
 MODULE-DECLARATION>) 
 MODULE-INVOCATION>spectrum  =$spectrum; 
 &_2_SPECTRUM set to $_1_SPECTRUM 
 MODULE-INVOCATION>iteration =$iteration; 
 &_2_ITERATION set to $_1_ITERATION 
 MODULE-INVOCATION>filenames =$filenames; 
 &_2_FILENAMES set to $_1_FILENAMES 
 MODULE-INVOCATION>spectra   =$spectra; 
 &_2_SPECTRA set to $_1_SPECTRA 
 MODULE-INVOCATION>data      =$data; 
 &_2_DATA set to $_1_DATA 
 MODULE-INVOCATION>iterations=$iterations; 
 &_2_ITERATIONS set to $_1_ITERATIONS 
 MODULE-INVOCATION>saprotocol=$saprotocol; 
 &_2_SAPROTOCOL set to $_1_SAPROTOCOL 
 MODULE-INVOCATION>refine    =$refine; 
 &_2_REFINE set to $_1_REFINE 
 MODULE-INVOCATION>relax     =$relax; 
 &_2_RELAX set to $_1_RELAX 
 MODULE-INVOCATION>toppar    =$toppar; 
 &_2_TOPPAR set to $_1_TOPPAR 
 MODULE-INVOCATION>analysis  =$analysis; 
 &_2_ANALYSIS set to $_1_ANALYSIS 
 MODULE-INVOCATION>) 
 CNSsolve> 
 CNSsolve>{+ file: run.cns +} 
 CNSsolve>{+ description: The file run.cns contains all necessary information to run ARIA. 
 CNSsolve>ARIA automatically sets the default values. 
 CNSsolve>Please change the values for the mixing time, rotation 
 CNSsolve>correlation time and spectrometer frequency for the spin diffusion correction. 
 CNSsolve>For the large CNS log files, you should use a temporary directory. version 1.2 +} 
 CNSsolve>{+ authors: Jens Linge, Michael Nilges +} 
 CNSsolve> 
 CNSsolve>set message off echo off end 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>!set the energy flags: 
 CNSsolve>@@RUN:protocols/flags_new.cns(Iteration=$Iteration; Data=$Data; ) 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/protocols/flags_new.cns opened.
 CNSsolve>!$Revision: 1.2 $ 
 CNSsolve>!$Date: 2016/02/16 21:17:07 $ 
 CNSsolve>!$RCSfile: rcsb104566.mr,v $ 
 CNSsolve> 
 CNSsolve>module(Iteration; Data; ) 
 &_2_ITERATION set to $_1_ITERATION 
 &_2_DATA set to $_1_DATA 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>if (&Data.cdih.on eq true) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate (&Data.flags.cdih =  true) 
 EVALUATE: symbol $_1_DATA.FLAGS.CDIH set to TRUE (logical)
 CNSsolve>end if 
 CNSsolve>if (&Data.cdihcsi.on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   evaluate (&Data.flags.cdih =  true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.cdihtalos.on eq true) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate (&Data.flags.cdih =  true) 
 EVALUATE: symbol $_1_DATA.FLAGS.CDIH set to TRUE (logical)
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>if     (&Data.c1_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c2_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c3_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c4_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>elseif (&Data.c5_on eq true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.coup =  true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.relax_choice eq "DANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.dani = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.rdc1_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc2_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc3_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc4_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>elseif (&Data.rdc5_choice eq "SANI") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.sani = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.dani eq TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.harm = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.sani eq TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.harm = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.rdc1_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc2_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc3_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc4_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve>if (&Data.rdc5_choice eq "VANGLE") then 
 NEXTCD: condition evaluated as false
 CNSsolve>  evaluate (&Data.flags.vean = true) 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>flags exclude * end 
 CNSsolve>if (&Data.flags.bonds = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include bonds end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.angle = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include angle end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.impro = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include improper end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.dihed = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include dihedrals end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.vdw   = TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include vdw end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.elec  = TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include elec end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.noe  =  TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include noe end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.cdih =  TRUE) then 
 NEXTCD: condition evaluated as true
 CNSsolve>   flags include cdih end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.coup =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include coup end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.vean =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include vean end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.sani =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include sani end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.dani =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include dani end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>if (&Data.flags.plan =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include plan end 
 CNSsolve>end if 
 CNSsolve>if (&Data.flags.ncs  =  TRUE) then 
 NEXTCD: condition evaluated as false
 CNSsolve>   flags include ncs end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>!read the .psf files: 
 CNSsolve>evaluate ($psfcount = 1) 
 EVALUATE: symbol $PSFCOUNT set to    1.00000     (real)
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 EVALUATE: symbol $STRUCTUREFILE set to "RUN:begin/wwsp2_15.psf" (string)
 CNSsolve>      structure @@$structurefile end 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/begin/wwsp2_15.psf opened.
 STRUcture>data_cns_mtf 
 REMARKS FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/begin/wwsp2_15.psf"
 REMARKS   file parallhdg.pro  version 4.02  date 25-Sep-96
 REMARKS   for file topallhdg.pro  version 4.01  date 29-Jul-96
 REMARKS   Geometric energy function parameters for distance geometry and
 REMARKS   simulated annealing.
 REMARKS   Author: Michael Nilges, EMBL Heidelberg
 REMARKS   last modified: 27-Mar-1997
 REMARKS DATE:03-Sep-2015  11:38:46       created by user: fkieken
 REMARKS VERSION:1.1
 Status of internal molecular topology database:
 -> NATOM=        811(MAXA=       40000)  NBOND=        824(MAXB=       40000)
 -> NTHETA=      1493(MAXT=       80000)  NGRP=          57(MAXGRP=     40000)
 -> NPHI=        1173(MAXP=       80000)  NIMPHI=       429(MAXIMP=     40000)
 -> NNB=          138(MAXNB=      40000) 
 STRUcture> 
 STRUcture> end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    2.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    3.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    4.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    5.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 EVALUATE: symbol $PSFCOUNT set to    6.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($psfcount le 5) loop pars 
 NEXTCD: condition evaluated as false
 CNSsolve>   if ($filenames.structure_$psfcount ne "") then 
 CNSsolve>      evaluate ($structurefile = "RUN:begin/" + $Filenames.structure_$psfcount) 
 CNSsolve>      structure @@$structurefile end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($psfcount = $psfcount + 1) 
 CNSsolve>end loop pars 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>evaluate ($templatefile = "RUN:" + "begin/" + $Filenames.template) 
 EVALUATE: symbol $TEMPLATEFILE set to "RUN:begin/wwsp2_15_template.pdb" (string)
 CNSsolve>coor @@$templatefile 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/begin/wwsp2_15_template.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/begin/wwsp2_15_templ" 
 COOR>REMARK produced by nmr/generate_template.inp 
 COOR>REMARK DATE:03-Sep-2015  11:38:54       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      13.040  -1.669   0.064  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      11.765  -2.879   0.051  1.00  0.00      A 
 CNSsolve>delete selection=(not known) end 
 SELRPN:      0 atoms have been selected out of    811
 Status of internal molecular topology database:
 -> NATOM=        811(MAXA=       40000)  NBOND=        824(MAXB=       40000)
 -> NTHETA=      1493(MAXT=       80000)  NGRP=          57(MAXGRP=     40000)
 -> NPHI=        1173(MAXP=       80000)  NIMPHI=       429(MAXIMP=     40000)
 -> NNB=          138(MAXNB=      40000) 
 CNSsolve>delete selection=(resname ANI) end 
 SELRPN:      0 atoms have been selected out of    811
 Status of internal molecular topology database:
 -> NATOM=        811(MAXA=       40000)  NBOND=        824(MAXB=       40000)
 -> NTHETA=      1493(MAXT=       80000)  NGRP=          57(MAXGRP=     40000)
 -> NPHI=        1173(MAXP=       80000)  NIMPHI=       429(MAXIMP=     40000)
 -> NNB=          138(MAXNB=      40000) 
 CNSsolve> 
 CNSsolve>if ($Data.flags.dani = true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  structure @@RUN:toppar/tensor.psf end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>if ($Data.flags.sani = true) then 
 NEXTCD: condition evaluated as false
 CNSsolve>  structure @@RUN:toppar/tensor.psf end 
 CNSsolve>end if 
 CNSsolve> 
 CNSsolve>!read the parameter files: 
 CNSsolve>evaluate ($par_nonbonded = $toppar.par_nonbonded) 
 EVALUATE: symbol $PAR_NONBONDED set to "PROLSQ" (string)
 CNSsolve>evaluate ($parcount = 1) 
 EVALUATE: symbol $PARCOUNT set to    1.00000     (real)
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 EVALUATE: symbol $PROT_PAR_FILE set to "RUN:toppar/phospho53.param" (string)
 CNSsolve>      parameter @@$prot_par_file end 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/toppar/phospho53.param opened.
 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 
 PARRDR> end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    3.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    4.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    5.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as true
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 NEXTCD: condition evaluated as false
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 EVALUATE: symbol $PARCOUNT set to    6.00000     (real)
 CNSsolve>end loop pars 
 CNSsolve>while ($parcount le 5) loop pars 
 NEXTCD: condition evaluated as false
 CNSsolve>   if ($Toppar.prot_par_$parcount ne "") then 
 CNSsolve>      evaluate($prot_par_file= "RUN:toppar/" + $Toppar.prot_par_$parcount) 
 CNSsolve>      parameter @@$prot_par_file end 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($parcount = $parcount + 1) 
 CNSsolve>end loop pars 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>noe 
 NOE>        reset 
 NOE>        nrestraints = 100000                   ! allocate space for NOEs 
 NOE: allocating space for  100000 restraints.
 NOE>        ceiling 1000 
 NOE>  
 NOE>        class      DIST 
 NOE> 
 NOE>        evaluate ($ispectrum = 0) 
 EVALUATE: symbol $ISPECTRUM set to    0.00000     (real)
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as true
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 EVALUATE: symbol $ISPECTRUM set to    1.00000     (real)
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:13c.tbl" (string)
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 reading restraint     1
 restraint successfully read:     1
 reading restraint     2
 restraint successfully read:     1
 reading restraint     3
 restraint successfully read:     2
 reading restraint     4
 restraint successfully read:     3
 reading restraint     5
 restraint successfully read:     4
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 restraint successfully read:   512
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 restraint successfully read:   532
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 reading restraint   370
 restraint successfully read:   539
 reading restraint   371
 restraint successfully read:   541
 reading restraint   372
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 reading restraint   374
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 reading restraint   376
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 reading restraint   377
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 reading restraint   378
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 reading restraint   390
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 reading restraint   391
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 reading restraint   401
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 reading restraint   402
 restraint successfully read:   601
 reading restraint   403
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 reading restraint   414
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 reading restraint   427
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 reading restraint   428
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 reading restraint   436
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 reading restraint   439
 restraint successfully read:   660
 reading restraint   440
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 reading restraint   444
 restraint successfully read:   669
 reading restraint   445
 restraint successfully read:   670
 reading restraint   446
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 reading restraint   448
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 reading restraint   449
 restraint successfully read:   676
 reading restraint   450
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 reading restraint   451
 restraint successfully read:   680
 reading restraint   452
 restraint successfully read:   681
 reading restraint   453
 restraint successfully read:   683
 reading restraint   454
 restraint successfully read:   684
 reading restraint   455
 restraint successfully read:   687
 reading restraint   456
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 reading restraint   457
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 reading restraint   458
 restraint successfully read:   690
 reading restraint   459
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 reading restraint   460
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 reading restraint   461
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 reading restraint   462
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 reading restraint   463
 restraint successfully read:   699
 reading restraint   464
 restraint successfully read:   703
 reading restraint   465
 restraint successfully read:   705
 reading restraint   466
 restraint successfully read:   706
 reading restraint   467
 restraint successfully read:   708
 reading restraint   468
 restraint successfully read:   710
 reading restraint   469
 restraint successfully read:   712
 reading restraint   470
 restraint successfully read:   713
 reading restraint   471
 restraint successfully read:   717
 reading restraint   472
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 reading restraint   473
 restraint successfully read:   723
 reading restraint   474
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 reading restraint   475
 restraint successfully read:   725
 reading restraint   476
 restraint successfully read:   726
 reading restraint   477
 restraint successfully read:   733
 reading restraint   478
 restraint successfully read:   735
 reading restraint   479
 restraint successfully read:   738
 reading restraint   480
 restraint successfully read:  2690
 reading restraint   481
 restraint successfully read:  2760
 reading restraint   482
 restraint successfully read:  2770
 reading restraint   483
 restraint successfully read:  3870
 reading restraint   484
 restraint successfully read:  4020
 reading restraint   485
 restraint successfully read:  4120
 reading restraint   486
 restraint successfully read:  4160
 reading restraint   487
 restraint successfully read:  5100
 reading restraint   488
 restraint successfully read:  5170
 reading restraint   489
 restraint successfully read:  5290
 reading restraint   490
 restraint successfully read:  5390
 reading restraint   491
 restraint successfully read:  5400
 reading restraint   492
 restraint successfully read:  5410
 reading restraint   493
 restraint successfully read:  5720
 reading restraint   494
 restraint successfully read:  6080
 NOE>        end loop read 
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as true
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 EVALUATE: symbol $ISPECTRUM set to    2.00000     (real)
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:15n.tbl" (string)
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 reading restraint   495
 restraint successfully read:     1
 reading restraint   496
 restraint successfully read:     2
 reading restraint   497
 restraint successfully read:     3
 reading restraint   498
 restraint successfully read:     4
 reading restraint   499
 restraint successfully read:     6
 reading restraint   500
 restraint successfully read:     7
 reading restraint   501
 restraint successfully read:     8
 reading restraint   502
 restraint successfully read:     9
 reading restraint   503
 restraint successfully read:    12
 reading restraint   504
 restraint successfully read:    13
 reading restraint   505
 restraint successfully read:    14
 reading restraint   506
 restraint successfully read:    16
 reading restraint   507
 restraint successfully read:    17
 reading restraint   508
 restraint successfully read:    19
 reading restraint   509
 restraint successfully read:    20
 reading restraint   510
 restraint successfully read:    23
 reading restraint   511
 restraint successfully read:    24
 reading restraint   512
 restraint successfully read:    25
 reading restraint   513
 restraint successfully read:    26
 reading restraint   514
 restraint successfully read:    27
 reading restraint   515
 restraint successfully read:    28
 reading restraint   516
 restraint successfully read:    29
 reading restraint   517
 restraint successfully read:    30
 reading restraint   518
 restraint successfully read:    32
 reading restraint   519
 restraint successfully read:    33
 reading restraint   520
 restraint successfully read:    34
 reading restraint   521
 restraint successfully read:    35
 reading restraint   522
 restraint successfully read:    37
 reading restraint   523
 restraint successfully read:    38
 reading restraint   524
 restraint successfully read:    41
 reading restraint   525
 restraint successfully read:    42
 reading restraint   526
 restraint successfully read:    43
 reading restraint   527
 restraint successfully read:    44
 reading restraint   528
 restraint successfully read:    45
 reading restraint   529
 restraint successfully read:    47
 reading restraint   530
 restraint successfully read:    48
 reading restraint   531
 restraint successfully read:    49
 reading restraint   532
 restraint successfully read:    50
 reading restraint   533
 restraint successfully read:    51
 reading restraint   534
 restraint successfully read:    52
 reading restraint   535
 restraint successfully read:    53
 reading restraint   536
 restraint successfully read:    54
 reading restraint   537
 restraint successfully read:    55
 reading restraint   538
 restraint successfully read:    58
 reading restraint   539
 restraint successfully read:    59
 reading restraint   540
 restraint successfully read:    60
 reading restraint   541
 restraint successfully read:    61
 reading restraint   542
 restraint successfully read:    62
 reading restraint   543
 restraint successfully read:    63
 reading restraint   544
 restraint successfully read:    64
 reading restraint   545
 restraint successfully read:    65
 reading restraint   546
 restraint successfully read:    67
 reading restraint   547
 restraint successfully read:    68
 reading restraint   548
 restraint successfully read:    69
 reading restraint   549
 restraint successfully read:    70
 reading restraint   550
 restraint successfully read:    71
 reading restraint   551
 restraint successfully read:    72
 reading restraint   552
 restraint successfully read:    74
 reading restraint   553
 restraint successfully read:    75
 reading restraint   554
 restraint successfully read:    76
 reading restraint   555
 restraint successfully read:    78
 reading restraint   556
 restraint successfully read:    79
 reading restraint   557
 restraint successfully read:    81
 reading restraint   558
 restraint successfully read:    82
 reading restraint   559
 restraint successfully read:    83
 reading restraint   560
 restraint successfully read:    84
 reading restraint   561
 restraint successfully read:    85
 reading restraint   562
 restraint successfully read:    86
 reading restraint   563
 restraint successfully read:    88
 reading restraint   564
 restraint successfully read:    89
 reading restraint   565
 restraint successfully read:    90
 reading restraint   566
 restraint successfully read:    92
 reading restraint   567
 restraint successfully read:    93
 reading restraint   568
 restraint successfully read:    94
 reading restraint   569
 restraint successfully read:    96
 reading restraint   570
 restraint successfully read:    97
 reading restraint   571
 restraint successfully read:    98
 reading restraint   572
 restraint successfully read:    99
 reading restraint   573
 restraint successfully read:   100
 reading restraint   574
 restraint successfully read:   101
 reading restraint   575
 restraint successfully read:   103
 reading restraint   576
 restraint successfully read:   104
 reading restraint   577
 restraint successfully read:   105
 reading restraint   578
 restraint successfully read:   106
 reading restraint   579
 restraint successfully read:   107
 reading restraint   580
 restraint successfully read:   108
 reading restraint   581
 restraint successfully read:   109
 reading restraint   582
 restraint successfully read:   110
 reading restraint   583
 restraint successfully read:   111
 reading restraint   584
 restraint successfully read:   112
 reading restraint   585
 restraint successfully read:   113
 reading restraint   586
 restraint successfully read:   115
 reading restraint   587
 restraint successfully read:   117
 reading restraint   588
 restraint successfully read:   118
 reading restraint   589
 restraint successfully read:   119
 reading restraint   590
 restraint successfully read:   120
 reading restraint   591
 restraint successfully read:   121
 reading restraint   592
 restraint successfully read:   122
 reading restraint   593
 restraint successfully read:   125
 reading restraint   594
 restraint successfully read:   126
 reading restraint   595
 restraint successfully read:   127
 reading restraint   596
 restraint successfully read:   128
 reading restraint   597
 restraint successfully read:   129
 reading restraint   598
 restraint successfully read:   130
 reading restraint   599
 restraint successfully read:   131
 reading restraint   600
 restraint successfully read:   132
 reading restraint   601
 restraint successfully read:   134
 reading restraint   602
 restraint successfully read:   135
 reading restraint   603
 restraint successfully read:   136
 reading restraint   604
 restraint successfully read:   137
 reading restraint   605
 restraint successfully read:   138
 reading restraint   606
 restraint successfully read:   139
 reading restraint   607
 restraint successfully read:   140
 reading restraint   608
 restraint successfully read:   142
 reading restraint   609
 restraint successfully read:   145
 reading restraint   610
 restraint successfully read:   146
 reading restraint   611
 restraint successfully read:   147
 reading restraint   612
 restraint successfully read:   148
 reading restraint   613
 restraint successfully read:   149
 reading restraint   614
 restraint successfully read:   150
 reading restraint   615
 restraint successfully read:   152
 reading restraint   616
 restraint successfully read:   153
 reading restraint   617
 restraint successfully read:   154
 reading restraint   618
 restraint successfully read:   155
 reading restraint   619
 restraint successfully read:   158
 reading restraint   620
 restraint successfully read:   159
 reading restraint   621
 restraint successfully read:   160
 reading restraint   622
 restraint successfully read:   161
 reading restraint   623
 restraint successfully read:   163
 reading restraint   624
 restraint successfully read:   164
 reading restraint   625
 restraint successfully read:   167
 reading restraint   626
 restraint successfully read:   170
 reading restraint   627
 restraint successfully read:   171
 reading restraint   628
 restraint successfully read:   172
 reading restraint   629
 restraint successfully read:   173
 reading restraint   630
 restraint successfully read:   176
 reading restraint   631
 restraint successfully read:   177
 reading restraint   632
 restraint successfully read:   178
 reading restraint   633
 restraint successfully read:   179
 reading restraint   634
 restraint successfully read:   180
 reading restraint   635
 restraint successfully read:   182
 reading restraint   636
 restraint successfully read:   183
 reading restraint   637
 restraint successfully read:   184
 reading restraint   638
 restraint successfully read:   185
 reading restraint   639
 restraint successfully read:   186
 reading restraint   640
 restraint successfully read:   187
 reading restraint   641
 restraint successfully read:   188
 reading restraint   642
 restraint successfully read:   189
 reading restraint   643
 restraint successfully read:   190
 reading restraint   644
 restraint successfully read:   191
 reading restraint   645
 restraint successfully read:   192
 reading restraint   646
 restraint successfully read:   193
 reading restraint   647
 restraint successfully read:   194
 reading restraint   648
 restraint successfully read:   196
 reading restraint   649
 restraint successfully read:   197
 reading restraint   650
 restraint successfully read:   198
 reading restraint   651
 restraint successfully read:   202
 reading restraint   652
 restraint successfully read:   203
 reading restraint   653
 restraint successfully read:   204
 reading restraint   654
 restraint successfully read:   208
 reading restraint   655
 restraint successfully read:   209
 reading restraint   656
 restraint successfully read:   210
 reading restraint   657
 restraint successfully read:   213
 reading restraint   658
 restraint successfully read:   214
 reading restraint   659
 restraint successfully read:   215
 reading restraint   660
 restraint successfully read:   216
 reading restraint   661
 restraint successfully read:   217
 reading restraint   662
 restraint successfully read:   218
 reading restraint   663
 restraint successfully read:   219
 reading restraint   664
 restraint successfully read:   220
 reading restraint   665
 restraint successfully read:   221
 reading restraint   666
 restraint successfully read:   222
 reading restraint   667
 restraint successfully read:   223
 reading restraint   668
 restraint successfully read:   225
 reading restraint   669
 restraint successfully read:   230
 reading restraint   670
 restraint successfully read:   231
 reading restraint   671
 restraint successfully read:   232
 reading restraint   672
 restraint successfully read:   233
 reading restraint   673
 restraint successfully read:   234
 reading restraint   674
 restraint successfully read:   235
 reading restraint   675
 restraint successfully read:   236
 reading restraint   676
 restraint successfully read:   237
 reading restraint   677
 restraint successfully read:   239
 reading restraint   678
 restraint successfully read:   240
 reading restraint   679
 restraint successfully read:   241
 reading restraint   680
 restraint successfully read:   242
 reading restraint   681
 restraint successfully read:   243
 reading restraint   682
 restraint successfully read:   244
 reading restraint   683
 restraint successfully read:   245
 reading restraint   684
 restraint successfully read:   246
 reading restraint   685
 restraint successfully read:   247
 reading restraint   686
 restraint successfully read:   248
 reading restraint   687
 restraint successfully read:   249
 reading restraint   688
 restraint successfully read:   250
 reading restraint   689
 restraint successfully read:   251
 reading restraint   690
 restraint successfully read:   252
 reading restraint   691
 restraint successfully read:   253
 reading restraint   692
 restraint successfully read:   254
 reading restraint   693
 restraint successfully read:   255
 reading restraint   694
 restraint successfully read:   256
 reading restraint   695
 restraint successfully read:   257
 reading restraint   696
 restraint successfully read:   258
 reading restraint   697
 restraint successfully read:   259
 reading restraint   698
 restraint successfully read:   260
 reading restraint   699
 restraint successfully read:   262
 reading restraint   700
 restraint successfully read:   263
 reading restraint   701
 restraint successfully read:   264
 reading restraint   702
 restraint successfully read:   266
 reading restraint   703
 restraint successfully read:   267
 reading restraint   704
 restraint successfully read:   268
 reading restraint   705
 restraint successfully read:   270
 reading restraint   706
 restraint successfully read:   271
 reading restraint   707
 restraint successfully read:   272
 reading restraint   708
 restraint successfully read:   275
 reading restraint   709
 restraint successfully read:   276
 reading restraint   710
 restraint successfully read:   277
 reading restraint   711
 restraint successfully read:   278
 reading restraint   712
 restraint successfully read:   279
 reading restraint   713
 restraint successfully read:   280
 reading restraint   714
 restraint successfully read:   282
 reading restraint   715
 restraint successfully read:   283
 reading restraint   716
 restraint successfully read:   284
 reading restraint   717
 restraint successfully read:   286
 reading restraint   718
 restraint successfully read:   287
 reading restraint   719
 restraint successfully read:   288
 reading restraint   720
 restraint successfully read:   289
 reading restraint   721
 restraint successfully read:   291
 reading restraint   722
 restraint successfully read:   292
 reading restraint   723
 restraint successfully read:   293
 reading restraint   724
 restraint successfully read:   295
 reading restraint   725
 restraint successfully read:   296
 reading restraint   726
 restraint successfully read:   297
 reading restraint   727
 restraint successfully read:   298
 reading restraint   728
 restraint successfully read:   299
 reading restraint   729
 restraint successfully read:   300
 reading restraint   730
 restraint successfully read:   301
 reading restraint   731
 restraint successfully read:   302
 reading restraint   732
 restraint successfully read:   303
 reading restraint   733
 restraint successfully read:   304
 reading restraint   734
 restraint successfully read:   305
 reading restraint   735
 restraint successfully read:   306
 reading restraint   736
 restraint successfully read:   307
 reading restraint   737
 restraint successfully read:   308
 reading restraint   738
 restraint successfully read:   309
 reading restraint   739
 restraint successfully read:   310
 reading restraint   740
 restraint successfully read:   314
 reading restraint   741
 restraint successfully read:   315
 reading restraint   742
 restraint successfully read:   318
 reading restraint   743
 restraint successfully read:   319
 reading restraint   744
 restraint successfully read:   320
 reading restraint   745
 restraint successfully read:   322
 reading restraint   746
 restraint successfully read:   324
 reading restraint   747
 restraint successfully read:   327
 reading restraint   748
 restraint successfully read:   328
 reading restraint   749
 restraint successfully read:   329
 reading restraint   750
 restraint successfully read:   330
 reading restraint   751
 restraint successfully read:   331
 reading restraint   752
 restraint successfully read:   333
 reading restraint   753
 restraint successfully read:   334
 reading restraint   754
 restraint successfully read:   335
 reading restraint   755
 restraint successfully read:   336
 reading restraint   756
 restraint successfully read:   337
 reading restraint   757
 restraint successfully read:   338
 reading restraint   758
 restraint successfully read:   339
 reading restraint   759
 restraint successfully read:   342
 reading restraint   760
 restraint successfully read:   343
 reading restraint   761
 restraint successfully read:   346
 reading restraint   762
 restraint successfully read:   347
 reading restraint   763
 restraint successfully read:   348
 reading restraint   764
 restraint successfully read:   349
 reading restraint   765
 restraint successfully read:   350
 reading restraint   766
 restraint successfully read:   351
 reading restraint   767
 restraint successfully read:   352
 reading restraint   768
 restraint successfully read:   353
 reading restraint   769
 restraint successfully read:   355
 reading restraint   770
 restraint successfully read:   356
 reading restraint   771
 restraint successfully read:   357
 reading restraint   772
 restraint successfully read:   359
 reading restraint   773
 restraint successfully read:   360
 reading restraint   774
 restraint successfully read:   362
 reading restraint   775
 restraint successfully read:   364
 reading restraint   776
 restraint successfully read:   365
 reading restraint   777
 restraint successfully read:   367
 reading restraint   778
 restraint successfully read:   368
 reading restraint   779
 restraint successfully read:  3100
 reading restraint   780
 restraint successfully read:  2620
 reading restraint   781
 restraint successfully read:  2830
 reading restraint   782
 restraint successfully read:  2840
 NOE>        end loop read 
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as true
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 EVALUATE: symbol $ISPECTRUM set to    3.00000     (real)
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:aro.tbl" (string)
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 reading restraint   783
 restraint successfully read:     1
 reading restraint   784
 restraint successfully read:     2
 reading restraint   785
 restraint successfully read:     4
 reading restraint   786
 restraint successfully read:    11
 reading restraint   787
 restraint successfully read:    12
 reading restraint   788
 restraint successfully read:    13
 reading restraint   789
 restraint successfully read:    15
 reading restraint   790
 restraint successfully read:    19
 reading restraint   791
 restraint successfully read:    21
 reading restraint   792
 restraint successfully read:    23
 reading restraint   793
 restraint successfully read:    24
 reading restraint   794
 restraint successfully read:    25
 reading restraint   795
 restraint successfully read:    26
 reading restraint   796
 restraint successfully read:    28
 reading restraint   797
 restraint successfully read:    29
 reading restraint   798
 restraint successfully read:    30
 reading restraint   799
 restraint successfully read:    31
 reading restraint   800
 restraint successfully read:    32
 reading restraint   801
 restraint successfully read:    33
 reading restraint   802
 restraint successfully read:    34
 reading restraint   803
 restraint successfully read:    35
 reading restraint   804
 restraint successfully read:    36
 reading restraint   805
 restraint successfully read:    37
 reading restraint   806
 restraint successfully read:    38
 reading restraint   807
 restraint successfully read:    41
 reading restraint   808
 restraint successfully read:    43
 reading restraint   809
 restraint successfully read:    44
 reading restraint   810
 restraint successfully read:    45
 reading restraint   811
 restraint successfully read:    46
 reading restraint   812
 restraint successfully read:    49
 reading restraint   813
 restraint successfully read:    52
 reading restraint   814
 restraint successfully read:    53
 reading restraint   815
 restraint successfully read:    56
 reading restraint   816
 restraint successfully read:    57
 reading restraint   817
 restraint successfully read:    58
 reading restraint   818
 restraint successfully read:    59
 reading restraint   819
 restraint successfully read:    60
 reading restraint   820
 restraint successfully read:    61
 reading restraint   821
 restraint successfully read:    62
 reading restraint   822
 restraint successfully read:    63
 reading restraint   823
 restraint successfully read:    64
 reading restraint   824
 restraint successfully read:    65
 reading restraint   825
 restraint successfully read:    66
 reading restraint   826
 restraint successfully read:    67
 reading restraint   827
 restraint successfully read:    68
 reading restraint   828
 restraint successfully read:    70
 reading restraint   829
 restraint successfully read:    71
 reading restraint   830
 restraint successfully read:    72
 reading restraint   831
 restraint successfully read:    73
 reading restraint   832
 restraint successfully read:    75
 reading restraint   833
 restraint successfully read:    76
 reading restraint   834
 restraint successfully read:    77
 reading restraint   835
 restraint successfully read:    79
 reading restraint   836
 restraint successfully read:    82
 reading restraint   837
 restraint successfully read:    84
 reading restraint   838
 restraint successfully read:    85
 reading restraint   839
 restraint successfully read:    86
 reading restraint   840
 restraint successfully read:   110
 reading restraint   841
 restraint successfully read:   970
 NOE>        end loop read 
 NOE>        while ($ispectrum < $Spectra.nspectra) loop read 
 NEXTCD: condition evaluated as false
 NOE>           evaluate ($ispectrum = $ispectrum + 1) 
 NOE>           evaluate ($file = "NEWIT:" + $Spectra.namelist_$ispectrum + ".tbl") 
 NOE>           class $Spectra.namelist_$ispectrum 
 NOE>           set echo off message off end 
 NOE>           @@$file 
 NOE>           set echo on message on end 
 NOE>        end loop read 
 NOE> 
 NOE>        set echo on message on end 
 NOE> 
 NOE>        averaging  DIST sum 
 NOE>        potential  DIST soft 
 NOE>        scale      DIST 1.0 
 NOE>        sqconstant DIST 1.0 
 NOE>        sqexponent DIST 2 
 NOE>        soexponent DIST 1 
 NOE>        rswitch    DIST 1.0 
 NOE>        sqoffset   DIST 0.0 
 NOE>        asymptote  DIST 2.0 
 NOE> 
 NOE>        msoexponent DIST 1 
 NOE>        masymptote  DIST 2.0 
 NOE>        mrswitch    DIST 1.0 
 NOE>end 
 CNSsolve> 
 CNSsolve>! define methyle groups and other equivalent groups - store in store9 
 CNSsolve>!   since store2 is used by calibrate.cns 
 CNSsolve>! we cannot do this before the data are read because the .tbl uses 
 CNSsolve>! store1 and store2 
 CNSsolve>@RUN:protocols/define_methyls_all.cns 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/protocols/define_methyls_all.cns opened.
 CNSsolve>!$Revision: 1.2 $ 
 CNSsolve>!$Date: 2016/02/16 21:17:07 $ 
 CNSsolve>!$RCSfile: rcsb104566.mr,v $ 
 CNSsolve> 
 CNSsolve>! define_methyls_all.cns 
 CNSsolve>! script to define methyle and other equivalent groups 
 CNSsolve>! called by calib.inp, merge.inp, refine.inp 
 CNSsolve>! by default, all methyle groups and all aromatics are 
 CNSsolve>!   defined 
 CNSsolve>! methyl.tbl is written by define_methyls_ini.cns 
 CNSsolve>!     ************************************ 
 CNSsolve>!     * Authors and copyright:           * 
 CNSsolve>!     * Michael Nilges, Jens Linge, EMBL * 
 CNSsolve>!     * No warranty implied or expressed * 
 CNSsolve>!     * All rights reserved              * 
 CNSsolve>!     ************************************ 
 CNSsolve> 
 CNSsolve>! first, define methyl groups into store1 
 CNSsolve>@@RUN:begin/methyls.tbl 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/begin/methyls.tbl opened.
 CNSsolve>do (store1 = 0) (all) 
 SELRPN:    811 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 5) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 59) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 63) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 174) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 335) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 339) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 416) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 430) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 444) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 458) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 515) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 543) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 560) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 595) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 601) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 629) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 633) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 678) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 770) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 785) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 789) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 800) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 804) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve> 
 CNSsolve>aria 
 ARIA arrays initialized
 ARIA>   analyse_restraints 
 ANALyse_restraints>      equivalent 
 EQUIvalent>         initialize 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 SELRPN:     23 atoms have been selected out of    811
 FOR ID LOOP: symbol LOOPID set to    5.00000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    59.0000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    63.0000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    174.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    335.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    339.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    416.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    430.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    444.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    458.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    515.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    543.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    560.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    595.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    601.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    629.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    633.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    678.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    770.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    785.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    789.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    800.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 FOR ID LOOP: symbol LOOPID set to    804.000     (real)
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 SELRPN:      3 atoms have been selected out of    811
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id (store1) loop meth 
 EQUIvalent>            select (bondedt(id $loopid) and name h*) 
 EQUIvalent>         end loop meth 
 EQUIvalent>         for $loopid in id ((resn phe or resn tyr) and name cd1) loop arom 
 SELRPN:      3 atoms have been selected out of    811
 FOR ID LOOP: symbol LOOPID set to    295.000     (real)
 EQUIvalent>            select (byres(id $loopid) and (name hd#)) ! and not ( resid 26) 
 SELRPN:      2 atoms have been selected out of    811
 EQUIvalent>            select (byres(id $loopid) and (name he#)) 
 SELRPN:      2 atoms have been selected out of    811
 EQUIvalent>         end loop arom 
 EQUIvalent>         for $loopid in id ((resn phe or resn tyr) and name cd1) loop arom 
 FOR ID LOOP: symbol LOOPID set to    316.000     (real)
 EQUIvalent>            select (byres(id $loopid) and (name hd#)) ! and not ( resid 26) 
 SELRPN:      2 atoms have been selected out of    811
 EQUIvalent>            select (byres(id $loopid) and (name he#)) 
 SELRPN:      2 atoms have been selected out of    811
 EQUIvalent>         end loop arom 
 EQUIvalent>         for $loopid in id ((resn phe or resn tyr) and name cd1) loop arom 
 FOR ID LOOP: symbol LOOPID set to    741.000     (real)
 EQUIvalent>            select (byres(id $loopid) and (name hd#)) ! and not ( resid 26) 
 SELRPN:      2 atoms have been selected out of    811
 EQUIvalent>            select (byres(id $loopid) and (name he#)) 
 SELRPN:      2 atoms have been selected out of    811
 EQUIvalent>         end loop arom 
 EQUIvalent>         for $loopid in id ((resn phe or resn tyr) and name cd1) loop arom 
 EQUIvalent>            select (byres(id $loopid) and (name hd#)) ! and not ( resid 26) 
 EQUIvalent>            select (byres(id $loopid) and (name he#)) 
 EQUIvalent>         end loop arom 
 EQUIvalent>      end 
 CNTGRP: NHG2, NHY2   337  389
 ALLDSP: making space for   860 distances
 ALLDSP: maximum number of selections     2
 ARIASS: initializing distance list
 ARIASS: setting up population array
 ANALyse_restraints>   end 
 ARIA>end 
 CNSsolve> 
 CNSsolve>@RUN:begin/setup_swap_list.tbl 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/begin/setup_swap_list.tbl opened.
 CNSsolve>do (q = 0) (all) 
 SELRPN:    811 atoms have been selected out of    811
 CNSsolve>do (store1 = 0) (all) 
 SELRPN:    811 atoms have been selected out of    811
 CNSsolve>  do (store1 = 2) (resn leu and name cd1) 
 SELRPN:      3 atoms have been selected out of    811
 CNSsolve>  do (store1 = 2) (resn val and name cg1) 
 SELRPN:      2 atoms have been selected out of    811
 CNSsolve>  do (store1 = 3) (resn arg and name nh1) 
 SELRPN:      2 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 2) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 16) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 27) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 38) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 47) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 56) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 74) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 77) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 80) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 88) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 91) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 94) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 101) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 110) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 134) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 137) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 149) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 152) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 164) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 167) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 170) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 173) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 186) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 189) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 203) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 215) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 227) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 230) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 233) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 249) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 258) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 261) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 264) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 282) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 293) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 314) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 351) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 363) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 381) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 395) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 406) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 409) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 412) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 415) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 470) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 494) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 505) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 508) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 511) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 514) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 526) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 529) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 532) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 555) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 558) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 572) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 575) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 586) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 611) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 614) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 617) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 626) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 658) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 661) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 664) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 673) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 676) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 703) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 706) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 709) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 717) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 720) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 723) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 730) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 739) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 760) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 763) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 766) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 769) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 782) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 194) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 386) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 239) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 242) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 270) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do (store1 = 1) (id 273) 
 SELRPN:      1 atoms have been selected out of    811
 CNSsolve>do    (store9 = store1) (all) 
 SELRPN:    811 atoms have been selected out of    811
 CNSsolve> 
 CNSsolve>! accumulate the structures 
 CNSsolve> 
 CNSsolve>@PREVIT:file.cns(filenames=$filenames) 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/file.cns opened.
 CNSsolve>module(filenames;) 
 &_2_FILENAMES set to $_1_FILENAMES 
 CNSsolve>set message off echo off end 
 CNSsolve>evaluate (&filenames.bestfile_1="PREVIT:wwsp2_15_4.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_1 set to "PREVIT:wwsp2_15_4.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_2="PREVIT:wwsp2_15_59.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_2 set to "PREVIT:wwsp2_15_59.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_3="PREVIT:wwsp2_15_20.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_3 set to "PREVIT:wwsp2_15_20.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_4="PREVIT:wwsp2_15_1.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_4 set to "PREVIT:wwsp2_15_1.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_5="PREVIT:wwsp2_15_2.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_5 set to "PREVIT:wwsp2_15_2.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_6="PREVIT:wwsp2_15_65.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_6 set to "PREVIT:wwsp2_15_65.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_7="PREVIT:wwsp2_15_94.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_7 set to "PREVIT:wwsp2_15_94.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_8="PREVIT:wwsp2_15_3.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_8 set to "PREVIT:wwsp2_15_3.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_9="PREVIT:wwsp2_15_11.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_9 set to "PREVIT:wwsp2_15_11.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_10="PREVIT:wwsp2_15_6.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_10 set to "PREVIT:wwsp2_15_6.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_11="PREVIT:wwsp2_15_92.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_11 set to "PREVIT:wwsp2_15_92.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_12="PREVIT:wwsp2_15_112.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_12 set to "PREVIT:wwsp2_15_112.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_13="PREVIT:wwsp2_15_5.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_13 set to "PREVIT:wwsp2_15_5.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_14="PREVIT:wwsp2_15_101.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_14 set to "PREVIT:wwsp2_15_101.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_15="PREVIT:wwsp2_15_98.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_15 set to "PREVIT:wwsp2_15_98.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_16="PREVIT:wwsp2_15_122.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_16 set to "PREVIT:wwsp2_15_122.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_17="PREVIT:wwsp2_15_138.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_17 set to "PREVIT:wwsp2_15_138.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_18="PREVIT:wwsp2_15_58.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_18 set to "PREVIT:wwsp2_15_58.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_19="PREVIT:wwsp2_15_29.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_19 set to "PREVIT:wwsp2_15_29.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_20="PREVIT:wwsp2_15_148.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_20 set to "PREVIT:wwsp2_15_148.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_21="PREVIT:wwsp2_15_84.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_21 set to "PREVIT:wwsp2_15_84.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_22="PREVIT:wwsp2_15_57.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_22 set to "PREVIT:wwsp2_15_57.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_23="PREVIT:wwsp2_15_97.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_23 set to "PREVIT:wwsp2_15_97.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_24="PREVIT:wwsp2_15_53.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_24 set to "PREVIT:wwsp2_15_53.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_25="PREVIT:wwsp2_15_127.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_25 set to "PREVIT:wwsp2_15_127.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_26="PREVIT:wwsp2_15_33.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_26 set to "PREVIT:wwsp2_15_33.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_27="PREVIT:wwsp2_15_88.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_27 set to "PREVIT:wwsp2_15_88.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_28="PREVIT:wwsp2_15_142.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_28 set to "PREVIT:wwsp2_15_142.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_29="PREVIT:wwsp2_15_110.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_29 set to "PREVIT:wwsp2_15_110.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_30="PREVIT:wwsp2_15_74.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_30 set to "PREVIT:wwsp2_15_74.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_31="PREVIT:wwsp2_15_41.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_31 set to "PREVIT:wwsp2_15_41.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_32="PREVIT:wwsp2_15_42.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_32 set to "PREVIT:wwsp2_15_42.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_33="PREVIT:wwsp2_15_16.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_33 set to "PREVIT:wwsp2_15_16.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_34="PREVIT:wwsp2_15_116.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_34 set to "PREVIT:wwsp2_15_116.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_35="PREVIT:wwsp2_15_12.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_35 set to "PREVIT:wwsp2_15_12.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_36="PREVIT:wwsp2_15_69.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_36 set to "PREVIT:wwsp2_15_69.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_37="PREVIT:wwsp2_15_47.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_37 set to "PREVIT:wwsp2_15_47.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_38="PREVIT:wwsp2_15_137.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_38 set to "PREVIT:wwsp2_15_137.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_39="PREVIT:wwsp2_15_7.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_39 set to "PREVIT:wwsp2_15_7.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_40="PREVIT:wwsp2_15_121.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_40 set to "PREVIT:wwsp2_15_121.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_41="PREVIT:wwsp2_15_109.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_41 set to "PREVIT:wwsp2_15_109.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_42="PREVIT:wwsp2_15_8.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_42 set to "PREVIT:wwsp2_15_8.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_43="PREVIT:wwsp2_15_25.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_43 set to "PREVIT:wwsp2_15_25.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_44="PREVIT:wwsp2_15_77.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_44 set to "PREVIT:wwsp2_15_77.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_45="PREVIT:wwsp2_15_99.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_45 set to "PREVIT:wwsp2_15_99.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_46="PREVIT:wwsp2_15_82.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_46 set to "PREVIT:wwsp2_15_82.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_47="PREVIT:wwsp2_15_61.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_47 set to "PREVIT:wwsp2_15_61.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_48="PREVIT:wwsp2_15_81.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_48 set to "PREVIT:wwsp2_15_81.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_49="PREVIT:wwsp2_15_28.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_49 set to "PREVIT:wwsp2_15_28.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_50="PREVIT:wwsp2_15_96.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_50 set to "PREVIT:wwsp2_15_96.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_51="PREVIT:wwsp2_15_43.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_51 set to "PREVIT:wwsp2_15_43.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_52="PREVIT:wwsp2_15_83.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_52 set to "PREVIT:wwsp2_15_83.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_53="PREVIT:wwsp2_15_85.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_53 set to "PREVIT:wwsp2_15_85.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_54="PREVIT:wwsp2_15_48.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_54 set to "PREVIT:wwsp2_15_48.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_55="PREVIT:wwsp2_15_143.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_55 set to "PREVIT:wwsp2_15_143.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_56="PREVIT:wwsp2_15_13.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_56 set to "PREVIT:wwsp2_15_13.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_57="PREVIT:wwsp2_15_10.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_57 set to "PREVIT:wwsp2_15_10.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_58="PREVIT:wwsp2_15_70.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_58 set to "PREVIT:wwsp2_15_70.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_59="PREVIT:wwsp2_15_114.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_59 set to "PREVIT:wwsp2_15_114.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_60="PREVIT:wwsp2_15_15.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_60 set to "PREVIT:wwsp2_15_15.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_61="PREVIT:wwsp2_15_107.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_61 set to "PREVIT:wwsp2_15_107.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_62="PREVIT:wwsp2_15_27.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_62 set to "PREVIT:wwsp2_15_27.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_63="PREVIT:wwsp2_15_78.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_63 set to "PREVIT:wwsp2_15_78.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_64="PREVIT:wwsp2_15_38.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_64 set to "PREVIT:wwsp2_15_38.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_65="PREVIT:wwsp2_15_118.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_65 set to "PREVIT:wwsp2_15_118.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_66="PREVIT:wwsp2_15_23.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_66 set to "PREVIT:wwsp2_15_23.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_67="PREVIT:wwsp2_15_93.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_67 set to "PREVIT:wwsp2_15_93.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_68="PREVIT:wwsp2_15_9.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_68 set to "PREVIT:wwsp2_15_9.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_69="PREVIT:wwsp2_15_45.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_69 set to "PREVIT:wwsp2_15_45.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_70="PREVIT:wwsp2_15_39.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_70 set to "PREVIT:wwsp2_15_39.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_71="PREVIT:wwsp2_15_19.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_71 set to "PREVIT:wwsp2_15_19.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_72="PREVIT:wwsp2_15_115.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_72 set to "PREVIT:wwsp2_15_115.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_73="PREVIT:wwsp2_15_67.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_73 set to "PREVIT:wwsp2_15_67.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_74="PREVIT:wwsp2_15_119.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_74 set to "PREVIT:wwsp2_15_119.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_75="PREVIT:wwsp2_15_124.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_75 set to "PREVIT:wwsp2_15_124.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_76="PREVIT:wwsp2_15_146.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_76 set to "PREVIT:wwsp2_15_146.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_77="PREVIT:wwsp2_15_17.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_77 set to "PREVIT:wwsp2_15_17.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_78="PREVIT:wwsp2_15_75.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_78 set to "PREVIT:wwsp2_15_75.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_79="PREVIT:wwsp2_15_51.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_79 set to "PREVIT:wwsp2_15_51.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_80="PREVIT:wwsp2_15_113.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_80 set to "PREVIT:wwsp2_15_113.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_81="PREVIT:wwsp2_15_147.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_81 set to "PREVIT:wwsp2_15_147.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_82="PREVIT:wwsp2_15_136.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_82 set to "PREVIT:wwsp2_15_136.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_83="PREVIT:wwsp2_15_40.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_83 set to "PREVIT:wwsp2_15_40.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_84="PREVIT:wwsp2_15_46.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_84 set to "PREVIT:wwsp2_15_46.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_85="PREVIT:wwsp2_15_104.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_85 set to "PREVIT:wwsp2_15_104.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_86="PREVIT:wwsp2_15_100.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_86 set to "PREVIT:wwsp2_15_100.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_87="PREVIT:wwsp2_15_108.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_87 set to "PREVIT:wwsp2_15_108.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_88="PREVIT:wwsp2_15_144.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_88 set to "PREVIT:wwsp2_15_144.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_89="PREVIT:wwsp2_15_64.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_89 set to "PREVIT:wwsp2_15_64.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_90="PREVIT:wwsp2_15_145.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_90 set to "PREVIT:wwsp2_15_145.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_91="PREVIT:wwsp2_15_14.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_91 set to "PREVIT:wwsp2_15_14.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_92="PREVIT:wwsp2_15_30.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_92 set to "PREVIT:wwsp2_15_30.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_93="PREVIT:wwsp2_15_89.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_93 set to "PREVIT:wwsp2_15_89.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_94="PREVIT:wwsp2_15_90.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_94 set to "PREVIT:wwsp2_15_90.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_95="PREVIT:wwsp2_15_68.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_95 set to "PREVIT:wwsp2_15_68.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_96="PREVIT:wwsp2_15_73.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_96 set to "PREVIT:wwsp2_15_73.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_97="PREVIT:wwsp2_15_50.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_97 set to "PREVIT:wwsp2_15_50.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_98="PREVIT:wwsp2_15_44.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_98 set to "PREVIT:wwsp2_15_44.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_99="PREVIT:wwsp2_15_18.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_99 set to "PREVIT:wwsp2_15_18.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_100="PREVIT:wwsp2_15_56.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_100 set to "PREVIT:wwsp2_15_56.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_101="PREVIT:wwsp2_15_117.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_101 set to "PREVIT:wwsp2_15_117.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_102="PREVIT:wwsp2_15_140.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_102 set to "PREVIT:wwsp2_15_140.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_103="PREVIT:wwsp2_15_126.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_103 set to "PREVIT:wwsp2_15_126.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_104="PREVIT:wwsp2_15_123.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_104 set to "PREVIT:wwsp2_15_123.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_105="PREVIT:wwsp2_15_63.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_105 set to "PREVIT:wwsp2_15_63.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_106="PREVIT:wwsp2_15_102.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_106 set to "PREVIT:wwsp2_15_102.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_107="PREVIT:wwsp2_15_128.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_107 set to "PREVIT:wwsp2_15_128.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_108="PREVIT:wwsp2_15_111.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_108 set to "PREVIT:wwsp2_15_111.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_109="PREVIT:wwsp2_15_150.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_109 set to "PREVIT:wwsp2_15_150.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_110="PREVIT:wwsp2_15_135.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_110 set to "PREVIT:wwsp2_15_135.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_111="PREVIT:wwsp2_15_55.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_111 set to "PREVIT:wwsp2_15_55.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_112="PREVIT:wwsp2_15_62.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_112 set to "PREVIT:wwsp2_15_62.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_113="PREVIT:wwsp2_15_54.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_113 set to "PREVIT:wwsp2_15_54.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_114="PREVIT:wwsp2_15_36.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_114 set to "PREVIT:wwsp2_15_36.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_115="PREVIT:wwsp2_15_86.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_115 set to "PREVIT:wwsp2_15_86.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_116="PREVIT:wwsp2_15_131.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_116 set to "PREVIT:wwsp2_15_131.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_117="PREVIT:wwsp2_15_35.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_117 set to "PREVIT:wwsp2_15_35.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_118="PREVIT:wwsp2_15_139.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_118 set to "PREVIT:wwsp2_15_139.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_119="PREVIT:wwsp2_15_66.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_119 set to "PREVIT:wwsp2_15_66.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_120="PREVIT:wwsp2_15_34.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_120 set to "PREVIT:wwsp2_15_34.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_121="PREVIT:wwsp2_15_130.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_121 set to "PREVIT:wwsp2_15_130.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_122="PREVIT:wwsp2_15_91.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_122 set to "PREVIT:wwsp2_15_91.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_123="PREVIT:wwsp2_15_134.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_123 set to "PREVIT:wwsp2_15_134.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_124="PREVIT:wwsp2_15_60.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_124 set to "PREVIT:wwsp2_15_60.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_125="PREVIT:wwsp2_15_120.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_125 set to "PREVIT:wwsp2_15_120.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_126="PREVIT:wwsp2_15_149.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_126 set to "PREVIT:wwsp2_15_149.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_127="PREVIT:wwsp2_15_95.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_127 set to "PREVIT:wwsp2_15_95.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_128="PREVIT:wwsp2_15_132.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_128 set to "PREVIT:wwsp2_15_132.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_129="PREVIT:wwsp2_15_133.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_129 set to "PREVIT:wwsp2_15_133.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_130="PREVIT:wwsp2_15_80.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_130 set to "PREVIT:wwsp2_15_80.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_131="PREVIT:wwsp2_15_21.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_131 set to "PREVIT:wwsp2_15_21.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_132="PREVIT:wwsp2_15_129.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_132 set to "PREVIT:wwsp2_15_129.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_133="PREVIT:wwsp2_15_52.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_133 set to "PREVIT:wwsp2_15_52.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_134="PREVIT:wwsp2_15_72.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_134 set to "PREVIT:wwsp2_15_72.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_135="PREVIT:wwsp2_15_49.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_135 set to "PREVIT:wwsp2_15_49.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_136="PREVIT:wwsp2_15_141.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_136 set to "PREVIT:wwsp2_15_141.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_137="PREVIT:wwsp2_15_125.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_137 set to "PREVIT:wwsp2_15_125.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_138="PREVIT:wwsp2_15_31.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_138 set to "PREVIT:wwsp2_15_31.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_139="PREVIT:wwsp2_15_106.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_139 set to "PREVIT:wwsp2_15_106.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_140="PREVIT:wwsp2_15_32.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_140 set to "PREVIT:wwsp2_15_32.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_141="PREVIT:wwsp2_15_71.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_141 set to "PREVIT:wwsp2_15_71.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_142="PREVIT:wwsp2_15_79.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_142 set to "PREVIT:wwsp2_15_79.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_143="PREVIT:wwsp2_15_105.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_143 set to "PREVIT:wwsp2_15_105.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_144="PREVIT:wwsp2_15_76.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_144 set to "PREVIT:wwsp2_15_76.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_145="PREVIT:wwsp2_15_37.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_145 set to "PREVIT:wwsp2_15_37.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_146="PREVIT:wwsp2_15_87.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_146 set to "PREVIT:wwsp2_15_87.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_147="PREVIT:wwsp2_15_24.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_147 set to "PREVIT:wwsp2_15_24.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_148="PREVIT:wwsp2_15_22.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_148 set to "PREVIT:wwsp2_15_22.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_149="PREVIT:wwsp2_15_103.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_149 set to "PREVIT:wwsp2_15_103.pdb" (string)
 CNSsolve>evaluate (&filenames.bestfile_150="PREVIT:wwsp2_15_26.pdb") 
 EVALUATE: symbol $_1_FILENAMES.BESTFILE_150 set to "PREVIT:wwsp2_15_26.pdb" (string)
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve> 
 CNSsolve>aria analyse_restraints reset end end 
 CNSsolve>aria countvio reset end end 
 ARIVIO: database initialized
 CNSsolve>evaluate ($count = 1) 
 EVALUATE: symbol $COUNT set to    1.00000     (real)
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_4.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_4.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_4.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 278.23, 1.68468, 21.0915, 1.26521, 224.697, 27.827, 0, 0.945799, 0.719252, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.429863E-03,0.304552,0.139152,41.989,4.926635E-03,0.443581,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:16:56       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -11.598  -2.320   9.789  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -12.068  -2.094   8.112  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_4.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_4.float opened.
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HB1 ) OR   ( segid "A   " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 25   and name HB1 ) OR   ( segid "A   " and resid 25   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87456E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80666E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86083E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90976E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.76976E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.77592E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83133E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85895E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.84424E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.86704E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.83461E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87745E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86344E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.83945E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79893E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83734E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.88445E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83140E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.81542E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87137E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86069E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.83022E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87186E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.85338E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78234E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.86084E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.86186E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.85974E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.86161E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.80342E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84186E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83147E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87989E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77334E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83164E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83977E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83157E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.87971E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83596E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.79018E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.85493E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.80371E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85869E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.76883E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86928E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78787E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89890E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85787E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.83194E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.77461E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.78752E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87856E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79299E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86191E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83947E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90873E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86901E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.79096E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.78330E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.83353E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86924E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79787E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86901E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91043E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81066E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85136E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91044E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.83139E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77784E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83596E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.83820E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77536E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86332E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.83188E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.86092E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.80248E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86236E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.84896E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83210E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91070E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82014E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87360E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79071E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.78041E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.79915E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80804E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.83214E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88738E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.83768E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.75943E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83142E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85813E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85727E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87352E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.90999E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85994E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.80194E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.83820E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80793E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.80800E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.86406E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86048E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83222E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.86299E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83220E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91034E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.87909E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.78130E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.82819E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.86008E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.80535E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.83454E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80507E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85981E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.77858E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86531E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79785E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79448E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78529E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.77978E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.80984E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76967E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.85469E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86411E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80709E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.80466E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.84437E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78971E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.83484E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79747E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79197E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.79753E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87150E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79190E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.84906E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85722E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80753E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.85705E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.83881E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.79592E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90963E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84858E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.78756E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.87519E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.80524E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.86964E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84859E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83190E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.83190E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.79269E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.84870E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84840E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86909E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83292E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86952E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90886E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79031E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78806E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.74116E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.85917E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85525E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.86435E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83322E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83291E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.86317E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.87647E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.88389E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85952E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.81790E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.86056E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.86410E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.87323E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90983E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.86300E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.78420E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.83960E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.84299E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83242E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.78486E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.83940E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85516E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85540E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.86492E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79893E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.79713E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85488E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.79878E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.80918E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81044E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.79439E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.80120E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.86313E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77451E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83542E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.84617E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.76312E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78219E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.77536E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.80003E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83870E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81747E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83384E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.86164E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.83151E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.85062E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74138E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81035E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.75424E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77745E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78515E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85615E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.86038E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.82860E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.83294E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86101E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83970E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80038E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.84047E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.84700E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83776E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90869E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86929E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79777E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.74343E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75862E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.80083E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.88019E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.78840E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74145E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86225E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.82954E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.86346E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74541E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83144E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.72718E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.75703E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.74998E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79423E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.78504E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.83361E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79222E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74571E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79738E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83716E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.78012E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90949E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.80486E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83214E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83606E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.85985E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.77976E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86079E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.78771E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.82948E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.85657E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86305E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85535E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.78840E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.78668E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.77619E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.81564E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76718E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77260E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78552E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.76797E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76542E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.76174E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83859E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87632E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91023E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.78637E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.83041E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.83992E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.76769E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.78267E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.73554E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.74145E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83677E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.80586E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79484E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.78053E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.74744E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77656E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.75542E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.88045E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83194E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.76559E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86611E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.77581E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86930E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.78819E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.85610E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79966E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78115E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.74227E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.79764E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.89400E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77406E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.81881E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.74976E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.77122E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.79396E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74170E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80389E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85418E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.84929E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83519E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81035E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.81772E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77779E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.79587E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87745E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83545E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79301E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.83940E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83472E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84225E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.79975E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87995E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.86346E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.78267E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.84047E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.88019E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80845E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78806E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85938E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.83016E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87186E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81165E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79412E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84996E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83977E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85722E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80753E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.77391E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.83768E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.87647E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87042E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82320E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80709E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76924E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81776E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77550E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85921E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85779E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.80223E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84186E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81747E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85727E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80793E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77713E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77743E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83596E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.85493E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.83665E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.80800E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.83361E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.87909E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83804E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.78486E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.81283E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.83737E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84779E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81012E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83526E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80706E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85174E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83596E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.77278E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85136E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.85338E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.80399E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74120E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.80918E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78211E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.81019E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.89123E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80507E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80361E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78519E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76466E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81044E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75877E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78413E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.77666E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.74360E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74139E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81066E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78807E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85813E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77260E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76175E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76731E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75837E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.85829E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81190E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.75394E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.86576E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.85561E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88012E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81842E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74263E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.84050E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74662E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.77788E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.83713E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.86313E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.78363E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.77762E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79299E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.81680E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.80783E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.76506E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.77793E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.88854E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.79783E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74343E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74783E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86093E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86173E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.83337E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85425E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.80973E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85418E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.83924E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83715E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.85985E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.78756E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.79206E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.78285E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86186E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.77558E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.79701E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.75011E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.77067E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86060E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.82493E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.87028E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.79592E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.83881E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.82107E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.78124E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84474E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.81378E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.76953E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.82445E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_4.float opened.
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HB1 ) OR   ( segid "A   " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 25   and name HB1 ) OR   ( segid "A   " and resid 25   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    2.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_59.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_59.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_59.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 282.296, 1.96737, 22.4834, 1.62317, 220.483, 34.054, 0, 1.30339, 0.38171, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.54518E-03,0.314441,0.157613,41.5963,5.710129E-03,0.323146,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:26:06       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      12.072 -11.980 -12.263  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      11.940 -10.275 -11.858  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_59.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_59.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86464E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80722E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.85973E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90972E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.79205E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.78623E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.85986E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.83135E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83421E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87109E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.88046E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.84383E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87471E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86305E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.79896E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79891E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83909E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.85937E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83139E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.85161E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.88108E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86005E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82479E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87179E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.83748E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78856E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83153E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.85960E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.82959E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.86278E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.84818E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.80761E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84143E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83149E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87694E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.76717E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83154E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.84118E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.85965E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.87942E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83800E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78549E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84889E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.84040E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85364E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.86208E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.83810E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.85948E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78068E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89817E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85941E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86488E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78079E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.85497E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88001E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.78783E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86090E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83433E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90862E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86861E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.75975E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.82047E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.79549E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86916E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.83569E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86894E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91055E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81678E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85197E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91045E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.82573E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77472E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83582E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82452E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.81669E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86099E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86480E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.83670E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.78626E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86391E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.88879E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83201E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91075E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82960E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87030E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.78331E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.80227E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.85195E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.81384E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84447E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91003E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88346E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.84894E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.81742E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91007E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83149E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85753E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85807E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87377E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.90999E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85973E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.79187E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.81265E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80789E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81970E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.83239E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.85970E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86487E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.86028E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91035E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90120E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.89226E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.78240E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.80835E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.86461E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.86073E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79415E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.86367E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.79568E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86137E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80181E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91000E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.78913E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77771E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78724E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.78199E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76449E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86393E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80565E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.84337E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.84385E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.82503E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79739E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79197E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79785E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83514E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87169E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79760E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.86934E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85564E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80739E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80583E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84797E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90969E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84893E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.78227E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.82460E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.84564E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.86958E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84842E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83197E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.86597E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.76849E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86894E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84805E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86945E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83308E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83303E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90888E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79811E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.80275E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.77654E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86488E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85531E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.85916E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83318E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83273E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89054E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.81027E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.79255E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85052E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.85433E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.85953E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83219E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.86302E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90986E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80133E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.86698E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.85072E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.80146E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83256E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.81524E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84923E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85505E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85510E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.78861E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79891E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.76309E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85492E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.82186E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85492E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.82381E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80958E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.82861E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79130E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.86011E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77635E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83515E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.86660E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74167E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78405E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74842E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.75391E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83861E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81606E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83549E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.85910E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83974E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74603E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.83271E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.75942E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.78199E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78899E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.80349E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.85805E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.80065E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.88527E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86142E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83763E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80442E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.84202E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.78748E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83621E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90866E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86947E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79808E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.76312E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.80322E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.84626E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.87087E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.79007E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74285E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.85958E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.85080E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.73935E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83210E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.86671E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74166E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.81327E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79870E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79550E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.78562E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79752E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74150E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79722E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77046E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90951E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79951E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.85973E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84737E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.84846E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.79286E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86003E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.75820E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.83417E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.85816E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86192E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85534E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.79007E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.74927E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.74023E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.80167E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.77277E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77653E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.77509E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.76521E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76731E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.80794E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.86117E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86157E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.84129E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78753E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.83880E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.80053E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.78752E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72773E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73648E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83771E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.76493E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79452E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77467E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.77861E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.80842E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.77681E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.86517E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.85686E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.73189E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.85794E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.75910E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84927E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79894E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83959E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78221E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77243E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.77556E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.84406E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87516E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77622E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.80047E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.86456E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.78239E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.75811E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74325E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80412E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85421E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.83732E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83724E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.83271E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.77262E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77698E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.80845E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87471E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83620E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79527E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84923E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.80535E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84335E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.85039E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.86715E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.88044E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.85080E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.78752E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.84202E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.87087E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80821E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.80275E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.82514E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82472E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87179E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81048E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79219E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85338E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.84118E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85564E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78661E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.84894E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.81027E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86760E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.81997E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80565E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76096E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81997E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77611E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85034E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.86114E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.88768E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84143E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81606E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85807E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80789E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77912E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78192E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83800E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84889E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81740E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81970E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.78562E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90120E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.81524E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.85750E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.79572E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84959E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81020E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83517E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80439E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.80074E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83582E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.78948E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85197E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.83748E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.83403E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.76581E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.82381E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78256E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78646E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.81437E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79415E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80925E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.77648E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.75876E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80958E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75697E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.77844E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.81006E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75701E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74492E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81678E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78062E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85753E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77653E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.80893E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76202E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76206E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.85933E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81203E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.79613E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88805E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.85032E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88020E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81023E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74312E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83549E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74699E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.77163E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.80459E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.86011E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77222E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.79688E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.78783E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.79381E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.82344E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.81899E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78241E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.87497E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.77352E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74124E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.76192E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86069E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86182E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81152E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85401E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85495E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85421E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.86528E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83176E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.84846E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.78227E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78215E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.76203E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86135E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76061E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.80607E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.70674E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.81152E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86072E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.75970E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.81249E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84797E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80583E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.82613E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.82347E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84488E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.87397E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.79476E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.81876E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_59.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    3.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_20.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_20.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_20.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 286.614, 2.70558, 26.4575, 1.56615, 220.653, 33.3015, 0, 1.37061, 0.55987, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.812034E-03,0.3411,0.154819,40.9057,5.869842E-03,0.391359,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:19:33       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -15.433   9.656   8.773  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -16.733  10.838   8.827  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_20.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_20.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 18   and name HA1 ) OR   ( segid "A   " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87391E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80655E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86025E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90978E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77280E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.79064E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.86457E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85659E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83444E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87117E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87097E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.87363E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87855E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86244E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.83910E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79894E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83870E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.86218E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83131E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.82954E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87902E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83140E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82838E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87229E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.84419E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78871E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83158E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.86088E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.85966E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83164E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83169E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79955E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84316E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87750E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77099E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.85767E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.84132E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86457E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88032E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83546E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78724E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84548E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.80143E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85963E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.85891E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.82576E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86279E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78239E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89938E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85206E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.87107E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.76792E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.79538E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87865E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.78883E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86407E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83170E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90858E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86866E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.78443E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.85044E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.83190E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.83277E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79410E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.84867E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91039E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81936E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.83514E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91043E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.78014E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.83934E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82119E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77532E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86118E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.85961E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.82997E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.80599E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.77299E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.84657E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91076E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82602E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87586E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79836E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.81407E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.79940E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80338E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.83483E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91010E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.87388E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80732E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76044E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91009E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83162E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.86344E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85900E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.81173E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91000E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85822E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.81203E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.79160E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81363E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.86318E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86437E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85887E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83231E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91031E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90020E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.89865E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.77966E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.84353E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.80388E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.86491E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80066E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85834E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78068E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86171E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80004E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91006E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79551E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78283E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.81075E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.77166E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76585E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.83831E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86425E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80589E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.80555E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80637E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.79067E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79741E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79206E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79767E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83483E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.83943E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.82801E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.87133E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80795E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80752E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79699E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84180E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90959E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84910E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.84685E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.80255E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.83155E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83344E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86982E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.87314E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.84766E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.78861E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86911E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84815E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86939E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83308E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83308E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90887E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.78941E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.84130E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.75823E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86592E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85555E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83222E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.87008E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83271E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89932E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.88598E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.80921E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85657E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.82129E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.86063E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.84798E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83214E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.91034E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.79285E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.79118E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.83529E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.84577E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83291E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.77620E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84056E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85514E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85534E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.87134E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79894E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.78112E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85490E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.84138E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85486E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.80919E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81366E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.79024E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79832E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.87065E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.74569E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83597E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.85600E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.76220E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78203E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.78105E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.80485E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83915E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81659E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.84546E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83154E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86054E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.85764E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74129E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81045E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.77641E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77896E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78246E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.80268E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.85962E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.82859E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.77323E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86161E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83907E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80278E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83565E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.85307E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83568E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90870E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86954E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83447E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.76111E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.76027E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.80685E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.81100E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.76895E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74145E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86184E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.80360E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.82158E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74582E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83145E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.73506E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.77582E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.75141E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79440E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79358E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80647E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80417E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.78514E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79711E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83396E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77680E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90957E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79710E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83217E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84726E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91009E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.77996E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.82575E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86107E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.79253E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.80576E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.86230E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86145E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85544E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.76895E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.81278E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.74892E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.79622E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76291E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77455E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78517E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.78733E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76729E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.79028E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83383E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87209E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91052E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.78647E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.81696E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.83745E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.79683E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.78295E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.74025E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.74469E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83648E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.79530E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79078E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.78229E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.81583E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77601E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76791E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87734E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83169E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.76060E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86410E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.78641E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84906E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.78254E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.84834E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79038E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77313E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.76706E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.82405E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87676E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77502E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.83368E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.74877E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76698E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.78991E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74153E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80101E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85430E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.82677E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83526E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81045E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.82459E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77830E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.79173E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87855E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83581E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79263E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84056E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83362E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.83890E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.78394E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.80873E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87711E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.82158E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.78295E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83565E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.81100E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80818E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.84130E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85306E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82827E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87229E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.80949E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79271E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84789E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.84132E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80795E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78861E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.80732E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.88598E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86050E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82406E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80589E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76997E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81757E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.78069E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.86191E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85669E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.82106E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84316E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81659E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85900E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.78553E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77924E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83546E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84548E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.82073E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81363E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80647E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90020E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83782E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.77620E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.77245E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.82865E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84522E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81065E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80256E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.82173E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76775E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.83514E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.84419E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.80374E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74180E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.80919E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78330E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.82841E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.88857E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80066E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80391E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78394E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76389E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81366E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76677E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.77696E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.79751E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.74662E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74257E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81936E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78738E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.86344E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77455E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.78660E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76197E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75634E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.84874E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81077E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.74847E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88418E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.84321E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88003E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81810E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74696E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83991E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74650E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.77410E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.87065E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77364E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78439E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.78883E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.81857E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.82523E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.76061E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78176E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.87843E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.78987E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74232E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74838E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86098E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86170E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81698E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85435E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.81747E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85430E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.86547E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83394E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.77996E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.84685E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78737E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.77226E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86197E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.75406E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.79074E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.76954E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.79250E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86067E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.81667E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.85704E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84180E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79699E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.79694E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.77151E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84476E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.86521E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.79544E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.83944E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_20.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 18   and name HA1 ) OR   ( segid "A   " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    4.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_1.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_1.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_1.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 287.886, 2.05876, 20.3201, 1.41258, 226.344, 34.8966, 0, 2.54966, 0.304179, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.580662E-03,0.29893,0.147033,42.1319,7.972963E-03,0.288467,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:17:09       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -25.270   1.517  -1.754  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -25.256   1.552   0.003  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_1.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_1.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HB1 ) OR   ( segid "A   " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87505E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80767E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86000E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90980E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77141E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.76260E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83130E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85987E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.87110E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.84549E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87967E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.83612E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87832E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86516E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84448E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79924E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83530E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.86955E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83139E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.82438E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87519E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.85912E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.83002E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87250E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.82478E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78583E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.85932E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.85655E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.86024E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.84967E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.85485E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84231E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83145E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87911E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77516E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.86549E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83568E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.85668E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86055E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88031E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83680E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78588E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.86873E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.79817E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.86217E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.84443E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80206E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.85976E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78074E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89616E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85314E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.87019E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78200E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.80599E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87975E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79085E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.83154E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83335E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90866E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86913E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.80972E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.80793E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.87387E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86875E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79791E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86884E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91034E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81679E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.84986E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91039E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.88255E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.80905E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83654E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82458E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.79667E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83201E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.83191E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.82859E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.83263E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86024E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.83094E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.86296E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91080E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82640E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87218E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79476E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.81112E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84823E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.79738E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84556E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.90976E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88401E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.81746E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.77515E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91039E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.86062E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.80409E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85195E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.79167E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91005E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86222E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.83620E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.80115E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80797E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.79735E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.86094E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86815E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83288E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85486E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83300E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91040E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.85147E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.78061E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.82394E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.81543E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.87418E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.86779E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80550E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.86565E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78305E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86376E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80049E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91002E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79397E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78696E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78900E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.79229E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77070E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.83688E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86423E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80631E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.81640E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.85840E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78654E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79721E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79198E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79789E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83493E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87237E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79228E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.84747E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.80586E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.86229E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80687E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80017E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84626E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90965E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84857E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.85360E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.83649E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.78610E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83344E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86972E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.86297E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.84790E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.77057E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86895E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84793E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86949E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83313E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83304E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90897E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79197E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78248E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.80142E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86639E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85532E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.86055E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.87002E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83296E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89826E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.83738E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.79388E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85561E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.83033E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.85910E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.84813E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83252E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90981E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80092E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.81782E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84708E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.79959E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83263E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76265E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.83611E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85505E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85524E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.87146E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79924E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.81253E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85502E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.80302E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85483E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81712E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80986E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.83460E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79753E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.82907E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.76917E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.87195E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.76803E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78200E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.75185E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.80536E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83805E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81868E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83337E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83152E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86158E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83974E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74126E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81316E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.78100E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77589E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78985E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.80176E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.86085E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.83130E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.78417E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.83189E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83953E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80517E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83541E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.85426E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83667E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90874E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86961E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83379E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.77480E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75395E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.77280E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.85001E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.78257E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74326E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83202E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.85681E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.82121E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74010E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.72349E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.76972E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.76049E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79319E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.78810E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80205E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79918E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.77233E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79713E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83314E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77618E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90944E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.83810E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.86286E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.80331E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91012E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.78397E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.82920E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.85991E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.78425E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.84361E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.86373E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86047E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85558E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.78257E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.80478E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.84081E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.77533E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.77805E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.76964E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78410E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.76142E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76582E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.80387E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.86070E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86102E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91005E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.78649E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.83784E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.84127E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.76812E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.83384E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.73546E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.74284E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83668E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.78559E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79280E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.78155E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.81251E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.81805E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.78324E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87844E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83178E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.76847E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86415E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.78358E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84918E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.78521E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.85723E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79532E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78883E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.82673E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.78948E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87242E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77764E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.79727E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.81484E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76575E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.75589E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74170E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80633E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85434E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.86095E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83681E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81316E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.82501E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77854E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.78010E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87832E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83551E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79350E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.83611E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.85579E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84296E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.79878E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.86897E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.88043E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.82121E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.83384E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83541E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.85001E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80695E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78248E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85337E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82996E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87250E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.80937E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79119E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85356E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83568E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.80586E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.86229E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.79959E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.81746E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.83738E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87195E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.81890E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80631E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.77955E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82135E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77873E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85497E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85791E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.81104E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84231E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81868E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85195E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80797E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.76726E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77618E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83680E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.86873E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.85051E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.79735E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80205E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.85147E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83615E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76265E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.77095E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.80846E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84102E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80915E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83533E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.81235E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.84939E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83654E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76711E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.84986E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.82478E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.76704E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.75206E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81712E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78356E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.79907E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.81801E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80550E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.81052E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78066E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76187E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80986E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76640E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.79109E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.76104E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75007E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74206E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81679E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78060E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.80409E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.76964E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.75844E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76408E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76089E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.80767E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.86487E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.76432E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.87810E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.87131E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87992E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.80945E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74641E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.87228E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74542E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.80283E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.82938E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.82907E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.79195E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.79174E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79085E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.79136E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.83703E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.80470E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.77724E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.88793E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.79024E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74156E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74916E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86089E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86181E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81423E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85429E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.80580E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85434E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.84865E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83313E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.78397E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.85360E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.79088E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.77051E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86172E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76652E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.76510E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.76915E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.75522E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86063E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.76664E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.83637E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84626E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80017E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.76356E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.75202E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84480E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.87516E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.80293E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.79041E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_1.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HB1 ) OR   ( segid "A   " and resid 17   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    5.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_2.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_2.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_2.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 293.705, 2.39332, 24.7809, 2.49421, 222.333, 37.4954, 0, 1.9022, 2.30596, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.704265E-03,0.330116,0.195378,41.724,6.939062E-03,0.794252,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:16:56       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      -4.329  -1.811  12.103  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      -4.858  -1.422  10.473  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_2.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_2.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HG1 ) OR   ( segid "A   " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87795E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.84382E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86130E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90986E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.76994E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.87225E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.85969E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.83138E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.84592E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87083E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87837E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.84025E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87685E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86175E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84145E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79878E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83958E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.85189E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83123E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.80780E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87100E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86016E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82555E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87208E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86716E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78765E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.86134E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83153E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.85346E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79871E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83971E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83162E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87800E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77214E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.85531E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83531E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83163E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88102E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83574E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78565E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84414E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.80331E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85610E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.86858E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.75841E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86072E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78049E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89527E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85742E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86679E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78145E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.78584E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87808E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79370E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86295E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83554E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90866E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86910E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.76494E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.80966E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.87636E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.83314E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79497E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.84831E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91035E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81578E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85972E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91034E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.83289E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77689E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83465E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82726E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77724E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86030E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86200E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.86207E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.80214E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86190E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.83244E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.85988E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91093E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82730E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.86802E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.78932E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.80364E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84951E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.79708E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84907E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.90992E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88216E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.78436E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76831E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.90997E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83144E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.86032E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.86169E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87503E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.90999E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85859E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.80112E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.83611E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80768E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.82899E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.83180E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86452E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86003E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.83218E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.86069E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91026E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90868E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.77804E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.77910E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.81070E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.87487E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.83238E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79760E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.86484E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78070E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86662E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80175E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79074E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78496E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78868E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.79210E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77014E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.83900E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86405E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80747E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.81047E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.84752E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78880E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.83600E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79829E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79171E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.79740E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87282E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.87128E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85348E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80296E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79523E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.83599E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90969E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84846E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.85399E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.83624E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.78609E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83326E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86929E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.85939E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.76797E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86881E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.86935E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83297E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.86933E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.84960E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90892E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.78421E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78844E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.77830E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86747E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85548E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83229E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.86977E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83292E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.90244E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.84332E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81586E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85370E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.82583E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83137E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.85881E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83234E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90989E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.83012E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.84836E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84949E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.80009E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83315E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76197E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84503E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85518E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85526E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.84020E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79878E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.83541E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85484E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.80506E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85479E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.82725E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80950E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.84877E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.82376E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.84030E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77728E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83635E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83205E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74635E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78462E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74742E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.80559E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.84043E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81939E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.82928E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86297E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83465E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74195E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.82252E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.74678E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77960E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78220E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85666E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.85993E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.82276E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.78684E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86099E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83686E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.83578E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83620E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.81260E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83759E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90865E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84805E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83435E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.77578E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.76218E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.75779E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.82855E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.76755E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74154E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86097E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.80392E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.83168E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.73955E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83249E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.75782E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.75647E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.78807E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79873E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79573E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.79188E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79090E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74177E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79725E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83189E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77391E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90940E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79984E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83235E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84432E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91005E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.78495E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.83311E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.83187E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.73604E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.82957E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.86161E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86071E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85569E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.76755E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.75991E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.75730E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.79282E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.74488E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77681E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.77331E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.78429E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.77408E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.78145E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.86096E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86134E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91025E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.86117E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.79347E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.84401E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.80105E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.80960E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.75983E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73570E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83670E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.81436E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79909E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77870E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.79503E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.79901E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76792E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87133E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.75014E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86453E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.77346E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.83287E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79121E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.84432E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79089E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.79014E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.77152E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.83422E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87564E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77532E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.80083E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.75418E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.77163E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.78950E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74178E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80694E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.85560E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83586E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.82252E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.81403E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77880E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.83388E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87685E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83560E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79315E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84503E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83303E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84171E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.79054E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.80889E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87476E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.83168E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.80960E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83620E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.82855E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80607E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78844E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85749E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82550E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87208E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79247E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.80849E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84980E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83531E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85348E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80296E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.80898E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.78436E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.84332E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86964E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82033E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80747E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76309E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82019E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77752E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.86474E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.84835E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.80316E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83971E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81939E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.86169E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80768E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.78675E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78117E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83574E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84414E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.82703E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.82899E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.79188E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90868E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83510E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76197E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.83073E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.80533E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.85335E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80970E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83511E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80879E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.80150E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83465E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76439E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85972E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86716E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.81946E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.75306E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.82725E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78402E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77765E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.81758E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79760E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.81424E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78123E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76113E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80950E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.77146E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78950E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.75994E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75441E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74168E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81578E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.79011E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.86032E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77681E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76689E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76556E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76227E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.81039E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.79436E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.73929E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88541E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87966E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81933E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74694E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.87212E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74565E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.79650E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.81670E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.84030E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.76596E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78485E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79370E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78736E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.78884E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.76771E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78418E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.88104E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.76854E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74764E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.75466E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86078E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86170E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81495E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85401E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.84379E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.85347E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83188E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.78495E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.85399E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78828E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.76351E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86148E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.75956E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.82725E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.71231E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.81734E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86073E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.81782E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.88741E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83599E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79523E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.81652E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.83240E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84473E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.77629E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.74923E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.81738E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_2.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HG1 ) OR   ( segid "A   " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    6.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_65.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_65.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_65.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 302.295, 2.8125, 26.6409, 3.30744, 226.1, 38.7625, 0, 1.99711, 2.67415, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.847494E-03,0.34228,0.224986,42.0788,7.183386E-03,0.855312,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:26:49       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -16.108   7.840   8.142  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -16.905   7.724   9.704  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_65.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_65.float opened.
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87560E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80793E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86026E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90985E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.76981E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.79500E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83142E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85883E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83377E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87062E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87549E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.87251E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87829E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86148E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.79882E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79868E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.84056E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.90209E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.86130E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.82457E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87215E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.85901E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82666E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86743E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78808E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83183E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.85657E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80688E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83142E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83296E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.80635E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83959E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83148E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.88056E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77576E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83730E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83172E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86446E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88141E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78575E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84247E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.80355E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85827E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.86712E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.75506E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.83245E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.77979E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.87441E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85603E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86825E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78160E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.77586E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88003E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79451E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86677E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.85584E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90897E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.84473E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.76375E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.82006E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.80602E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.83293E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79266E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.84879E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91052E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81915E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.84734E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91037E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.86050E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.79898E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83775E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82194E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.80360E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.85428E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.82914E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.80704E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83191E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.76640E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.85932E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91094E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.81174E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.86928E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.78970E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.79200E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84877E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.82349E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91013E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.87956E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.79771E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.78443E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91002E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83215E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.84547E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85584E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.81228E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.90998E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86200E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.81288E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.79203E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80762E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81556E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.86472E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86125E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.86239E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83225E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91038E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90546E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.89011E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.77729E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.80991E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.87262E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80122E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.86585E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78354E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86181E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80056E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.78421E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77558E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.79093E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.79324E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.75606E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.83148E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86536E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80572E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.81581E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80474E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78767E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79651E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79245E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79782E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83331E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.84175E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79784E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.84727E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85492E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80639E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80691E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79630E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.83992E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90966E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.87196E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.81312E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.80932E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.85085E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.87067E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84778E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.86345E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.82520E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.83303E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.87017E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83346E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.87008E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86896E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90948E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79865E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.79317E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.81029E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86030E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85548E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.85854E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83397E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.87200E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.90223E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.80662E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.79456E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85472E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.86552E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.85654E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.86341E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90989E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.82910E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.82600E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84860E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.79980E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83310E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76218E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.83994E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85525E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85526E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.80639E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79868E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.84687E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85484E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.81472E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85481E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.82297E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81195E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.84954E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.82064E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.83049E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77686E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83677E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83162E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74158E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78489E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74727E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.75329E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83818E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.82004E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83251E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86276E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83484E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.79523E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81570E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.77175E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77981E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78056E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.80195E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.86111E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.79965E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.87017E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86311E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83982E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80052E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.84280E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.86673E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83845E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90880E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84707E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79457E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.77547E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75477E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.82221E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.86887E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.80449E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74108E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86306E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.83166E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.84475E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74038E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83238E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.75726E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74374E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.73792E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79424E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.83444E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.79745E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79760E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.76045E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79709E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83357E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.76266E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90945E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.78413E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.85911E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83791E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.90997E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.76439E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.79751E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.85836E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.76941E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.83469E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.85492E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.85404E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85580E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.80449E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.74967E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.75438E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.77893E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.74790E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77539E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78919E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.75230E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76410E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.78030E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.86159E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86208E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91024E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.79318E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.86059E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.80778E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.79336E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.80284E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72972E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.77247E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83551E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.80722E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79678E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.76950E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.80475E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.81569E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.78020E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87534E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.85404E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.72822E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86122E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.80062E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86942E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.76044E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.84218E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78856E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78156E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.82660E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.79740E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.88668E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77471E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.77307E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.81911E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.78174E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.79248E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74121E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.78746E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85424E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.81038E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.87218E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81570E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.81913E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.78131E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.82944E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87829E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83559E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79146E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.83994E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.80349E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84103E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.87367E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87694E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87977E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.84475E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.80284E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.84280E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.86887E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80847E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.79317E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.80631E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82660E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81458E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79223E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84997E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83730E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85492E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80639E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.80320E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.79771E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.80662E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86188E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82259E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80572E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76901E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81764E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77232E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85673E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85926E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.82116E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83959E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.82004E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85584E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80762E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.78760E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77778E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84247E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.83838E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81556E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.79745E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90546E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83577E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76218E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.84241E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.82193E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.85676E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81025E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83530E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80228E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85144E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83775E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.79307E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.84734E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86743E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.81986E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74147E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.82297E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78385E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.83053E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.81631E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80122E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.81192E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78061E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76286E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81195E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76215E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.82933E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.80503E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75320E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74112E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81915E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78478E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.84547E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77539E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76469E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76621E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.82494E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.84556E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81110E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.82720E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88269E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.85178E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88013E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81749E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74136E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83550E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74555E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.77794E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.81944E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.83049E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.78477E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78311E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79451E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78195E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.78804E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.81050E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78049E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.83600E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.77676E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74179E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.76174E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86089E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86164E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81967E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85421E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.79843E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85424E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.85724E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83356E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.76439E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.81312E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.77834E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.77211E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86162E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.75034E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.79527E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.70363E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.80768E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86077E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.80625E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.86769E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83992E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79630E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.75859E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.76855E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84469E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.75741E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.76268E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.78184E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_65.float opened.
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    7.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_94.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_94.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_94.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 304.001, 1.96613, 24.4639, 2.00699, 235.909, 35.5596, 0, 3.15911, 0.936314, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.544695E-03,0.327998,0.17526,41.0818,8.935359E-03,0.506108,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:31:31       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      16.210   1.901   9.309  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      16.851   0.413   8.628  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_94.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_94.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.86601E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80382E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86393E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90984E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.78722E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.82195E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.86408E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85736E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.87172E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.84416E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87246E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.86974E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87458E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.87571E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84024E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.80655E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.81466E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.85140E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.85165E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87987E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86469E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82464E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86766E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78961E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.85834E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83168E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80244E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.86020E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83195E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.83243E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84289E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83147E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87664E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77010E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.87252E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83656E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86135E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.87943E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83601E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78679E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84435E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.80054E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.86318E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.85842E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.82305E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.83415E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.79843E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89928E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.83182E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86003E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.77455E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.77726E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87954E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79194E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.85455E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.84478E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90875E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86941E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.80558E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.78546E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.83823E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.84637E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79598E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.83374E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91035E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81224E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.86860E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91025E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.83997E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.78275E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83751E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.83452E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77405E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83261E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.83190E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.86328E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.80197E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.77236E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.86016E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91076E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.77806E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.81293E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.86459E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.81369E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.83931E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80897E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.87190E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91006E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.89020E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.81248E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.75463E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91013E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83195E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.86695E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85294E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.81221E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.90996E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86162E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.81280E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.79194E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80807E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.90878E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.86000E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.83268E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.85714E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.83261E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.86626E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91068E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.81694E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.78147E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.84425E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.85342E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.86916E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80259E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85209E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78250E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86136E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79677E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79975E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78790E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78062E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.81370E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77188E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.79342E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86387E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80570E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.81618E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.85956E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78764E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79769E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79196E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79751E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83511E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.84786E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79249E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.86882E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.86656E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80745E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80821E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80134E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84702E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90964E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84824E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.78938E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.88198E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.80882E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.86986E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84853E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.86255E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.85083E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.88008E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86928E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84855E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86910E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83293E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83318E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90892E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79077E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78801E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.74660E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86228E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85513E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.86625E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83333E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83309E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.85700E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.84237E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.77761E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.83178E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83166E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.85073E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83283E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90977E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80075E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.78234E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84275E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.83995E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83222E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.77160E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.76212E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85572E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85517E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.76940E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.80655E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.76686E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85490E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.80208E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81049E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80489E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.78938E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79048E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.83284E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.76716E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83518E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.86725E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74595E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78198E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.78011E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.79267E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83981E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81422E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.84322E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83178E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.85682E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.85024E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.87105E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.82041E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.78185E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.75769E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.74640E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.82630E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.86179E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.84016E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.82718E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85540E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83871E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80399E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83735E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.79840E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83633E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90870E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86924E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79736E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.77397E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.76130E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.81891E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.84264E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.76592E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74121E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.86912E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.80684E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74116E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83166E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.85854E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74129E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.71953E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.81211E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79242E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.79916E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80462E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.75717E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79741E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83867E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.78497E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90954E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.83307E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83221E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83283E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.86398E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.77850E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.85604E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.78556E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.79975E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.83096E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.83259E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85535E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.76592E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.76917E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.79125E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.81235E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.75602E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.82265E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.75269E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.79163E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.79003E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.79194E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86520E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91032E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.82894E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78570E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.87575E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.76253E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.77828E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72730E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.74187E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83620E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.77375E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79903E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77654E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.82222E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.76336E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76107E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87519E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.86106E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.74656E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.83224E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.74492E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84870E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.78258E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.86161E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79379E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.79006E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.77146E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.78672E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87692E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77787E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.77700E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.75495E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76460E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.77045E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74183E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80346E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85416E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.84046E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83653E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.82041E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.82857E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77867E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.83031E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87458E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83607E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.82612E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.76212E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.80764E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84249E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.77505E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.85366E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.86863E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.80684E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.77828E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83735E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.84264E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.86050E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78801E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.82814E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82455E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79255E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.81279E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85005E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83656E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.86656E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80745E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.79203E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.81248E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.84237E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87924E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.81521E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80570E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.77756E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82707E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77593E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.80781E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85716E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.82719E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84289E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81422E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85294E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80807E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.78885E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78085E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83601E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84435E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81104E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.90878E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.79916E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.81694E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83777E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.77160E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.82270E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.83379E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84706E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81106E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80014E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.82252E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83751E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.75270E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.86860E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86766E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.80521E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.76188E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81049E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78433E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.83390E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.86930E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80259E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80600E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78224E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76522E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80489E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76521E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.83056E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.76443E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75654E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74173E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81224E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78398E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.86695E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.82265E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.85458E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.77289E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75785E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.80761E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.79096E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.71707E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88926E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.84680E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87872E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81238E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74170E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.87233E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74536E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.80619E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.80075E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.83284E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77204E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78149E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79194E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.77276E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.78718E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.82974E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78415E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.89141E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.79470E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74241E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74812E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86096E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86164E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.85923E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85438E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85694E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85416E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.83401E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83865E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.86398E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.78938E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.79510E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.74570E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86179E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.77214E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.76094E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.85363E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.75578E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86067E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.79996E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.82712E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84702E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80134E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.84541E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.75169E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84493E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.87431E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.79361E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.80121E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_94.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    8.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_3.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_3.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_3.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 309.684, 2.7427, 27.2869, 1.46705, 238.267, 37.0003, 0, 1.26674, 1.65254, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.824422E-03,0.346405,0.149841,41.5155,5.625156E-03,0.67237,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:16:56       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -13.802   4.471  10.501  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -15.302   4.333  11.405  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_3.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_3.float opened.
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 18   and name HA1 ) OR   ( segid "A   " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87671E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.85612E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.83137E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90975E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77052E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.80119E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.86181E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85938E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.84525E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87121E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.86473E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.88044E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86619E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84013E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79947E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83469E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.89650E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.86183E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.85956E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87853E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86157E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82478E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87182E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.84138E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78935E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.86028E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83151E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.83020E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83174E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.84258E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.80868E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83826E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83164E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.88005E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77634E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83988E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83163E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.83169E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88091E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83624E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.81068E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84617E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.84442E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85168E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.85798E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80837E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.85831E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78100E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89406E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85374E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86985E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78216E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.79123E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87881E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79449E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86073E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83307E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90865E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86910E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.79086E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.78587E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.83652E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86907E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79787E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86889E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91032E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.83221E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.83718E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91041E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.76826E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.82020E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.84826E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.81267E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77541E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86298E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.85994E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.85637E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.80399E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86241E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.80816E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83197E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91077E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82843E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87968E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79987E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.81080E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84711E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.83300E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.85324E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88492E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80467E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.77791E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91002E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83137E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85852E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.86457E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87390E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85727E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.80162E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.83748E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80768E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81943E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.83283E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.85906E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86547E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85964E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83227E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91026E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90466E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.78051E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.82223E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.84466E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.85192E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.87036E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80358E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.84958E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78622E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86522E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80313E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91011E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79026E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78077E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.79924E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.81198E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76553E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.84836E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86459E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80718E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.82305E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.84975E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78826E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.83460E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79776E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79208E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.79717E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87223E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79242E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.84742E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85426E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80757E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80751E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80013E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84617E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90956E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84869E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.78033E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.87809E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.80955E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.86961E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84862E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83180E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.86952E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.88758E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.84905E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84799E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86948E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83312E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86931E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90887E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.77933E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78236E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.80032E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86533E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85534E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.86106E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83314E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83288E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89765E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.80823E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.78656E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85580E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80127E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83145E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83286E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83317E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90977E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80039E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.84181E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84707E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.79953E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83311E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.84321E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.82919E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85494E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85522E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.86715E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79947E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.82008E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85475E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.85414E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.84619E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81295E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.78733E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79755E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.85372E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77060E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.84027E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.84448E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.82174E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78209E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.78046E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.75955E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83952E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81890E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83278E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83157E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86222E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.82807E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.80574E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.82377E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.74160E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77554E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.79144E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85516E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.85905E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.80063E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.83013E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86259E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83751E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80505E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83540E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.83318E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83799E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90873E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86969E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79780E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.81572E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75604E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.78440E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.81121E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.76913E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74082E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86076E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.82600E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.82183E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74973E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83162E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.72330E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74498E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.81903E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.80026E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.80355E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.86340E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80760E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.78372E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79713E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83062E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77342E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90951E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79440E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.86160E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84119E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.90991E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.84614E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.78220E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86444E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.75128E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.82865E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.86521E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.85999E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85557E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.76913E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.78349E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.78797E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.79112E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.77758E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.76704E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78416E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.76029E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76388E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.76749E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.85993E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.85948E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91013E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.83375E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78620E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.87187E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.75564E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.73218E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73586E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83803E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.78134E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79270E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77863E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.79191E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.75966E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76249E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87054E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.76737E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86477E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.80202E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86910E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79497E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83003E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78546E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77302E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.76652E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.79190E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.90884E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.78084E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.78254E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.81065E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76572E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.76464E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74161E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80332E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85418E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.81046E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.87211E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.82377E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.77188E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77793E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.78828E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.88044E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83617E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79221E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.82919E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.84104E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84393E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.82691E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87518E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.88056E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.82183E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83540E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.81121E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80655E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78236E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.84527E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82472E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87182E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79268E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.81022E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85808E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83988E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85426E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80757E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78289E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.80467E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.80823E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86402E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82423E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80718E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.75524E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81760E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77705E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.86532E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85369E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.79918E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83826E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81890E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.86457E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80768E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.78108E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78121E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83624E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84617E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.80727E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81943E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.86340E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90466E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83557E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.84321E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.77731E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.83320E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.86392E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81560E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83522E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.79236E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.82593E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.84826E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.79202E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.83718E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.84138E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.79761E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74132E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.84619E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78327E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78830E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.79766E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80358E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80279E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.77789E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.75965E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81295E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76741E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.77981E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.77892E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.74417E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74156E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.83221E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78659E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85852E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.76704E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.80020E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76182E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75871E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.84648E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81091E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.76895E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88955E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.82224E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88019E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81935E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74657E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83567E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74555E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.76916E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.81427E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.85372E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.78147E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.79406E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79449E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.81544E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.82115E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.76659E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78318E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.83938E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.80516E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74167E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74851E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86097E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86158E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81245E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85431E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85634E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85418E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.86314E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83061E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.84614E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.78033E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78383E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.80141E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86179E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76963E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.78061E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.77799E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.75839E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86070E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.78603E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.83944E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84617E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80013E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.80148E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.83358E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84487E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.83738E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.81568E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.81646E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_3.float opened.
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 18   and name HA1 ) OR   ( segid "A   " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    9.00000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_11.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_11.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_11.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 325.384, 2.83144, 28.5008, 4.43359, 234.068, 47.0616, 0, 7.6992, 0.789133, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.853702E-03,0.354027,0.260487,41.8413,1.385209E-02,0.46463,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:18:21       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      10.442   6.552   9.698  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      10.687   7.804   8.490  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_11.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_11.float opened.
 ARIA> REVE ((segid "A   " and resid 6    and name HB1 ) OR   ( segid "A   " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HG1 ) OR   ( segid "A   " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HB1 ) OR   ( segid "A   " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HG1 ) OR   ( segid "B   " and resid 48   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87947E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80619E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.85860E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90978E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.79142E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.74953E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83197E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.86208E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83373E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87049E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.88045E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.84531E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.88103E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.87051E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84059E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.82714E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.80127E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.87545E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83131E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.85676E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87906E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83142E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.81507E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.84449E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78149E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.86753E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83253E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.82471E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.85577E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83210E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79808E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83658E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.85497E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.88004E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77385E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.86092E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83938E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86616E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88166E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83632E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78739E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84346E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.83143E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80889E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86028E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.79256E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89895E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85921E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.77437E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.80624E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88032E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79744E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.83163E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83884E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90874E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86898E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.81219E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.82528E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.79622E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.84779E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.83433E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.83322E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91039E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81438E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85101E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91041E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.82259E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77295E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83617E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82809E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77669E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86068E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.85874E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.85860E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83214E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.80756E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83206E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91067E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82192E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87896E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79013E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.78128E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.79909E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80147E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84704E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.90973E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.87349E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.83439E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.77237E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.90999E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.86288E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.80348E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85597E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87455E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91005E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86716E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.79194E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.81287E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80591E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.90247E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.85689E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.83211E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86098E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.83213E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.86229E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91025E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.82807E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.89649E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.77284E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.85911E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.83902E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.85329E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79814E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85846E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.77920E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86676E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79726E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91018E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.80106E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78986E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78158E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.80685E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77088E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.85364E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86343E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80781E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.80358E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80781E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78435E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79714E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79196E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79818E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83521E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87139E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79768E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.83316E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85999E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80759E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80682E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79731E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84249E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90963E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84880E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.79064E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.82595E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.85210E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.86971E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84850E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.86924E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.79651E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.83283E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.86974E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83315E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.86949E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86853E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90892E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.78794E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.77794E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.74391E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86553E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85518E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83218E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83323E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83291E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.83768E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.87015E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81485E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85967E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.79591E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83249E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83276E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.85264E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90982E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80040E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.78459E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.83929E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.84299E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83231E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.81846E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.76206E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85539E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85513E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.78233E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.82714E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.86082E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85544E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.80605E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85483E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81535E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80603E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.78856E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79079E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.81265E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77622E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.87220E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83316E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74087E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78196E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.77622E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.77013E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83806E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81430E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.80555E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83191E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86548E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.78315E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74425E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.83736E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.77809E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77008E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.73326E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.80642E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.83191E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.83044E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.78185E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85976E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83518E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.85893E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83531E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.87153E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83726E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90872E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84771E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79785E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.77025E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75460E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.81250E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.81678E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.78882E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74232E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86031E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.80420E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.85676E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74137E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.73039E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74141E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.71945E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.85401E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.78686E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80084E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80185E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74413E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79739E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83745E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.78180E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90943E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79981E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83217E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84131E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91013E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.86640E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.77842E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86126E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.78483E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.85763E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.82908E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86103E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85535E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.78882E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.76888E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.78558E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.81311E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.77867E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.82361E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.74851E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.81665E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76631E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.78919E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83389E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87231E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91013E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.78635E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.83698E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.83974E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.75467E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.77188E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.73884E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.74183E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83850E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.79900E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79837E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.78183E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.80621E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77390E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76468E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87938E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83155E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.86697E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86467E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.81165E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86896E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.78287E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.85578E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79911E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77644E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.74656E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.76189E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87111E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77420E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.77975E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.87504E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76558E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.76669E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74143E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80316E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85430E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.85326E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.83736E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.78976E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.78234E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.79488E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.88103E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83548E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79504E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.76206E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.85240E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84304E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.80025E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87894E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87797E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.85676E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.77188E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83531E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.81678E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80395E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.77794E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85416E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.81505E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87170E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79437E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.80171E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.86177E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83938E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85999E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80759E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78849E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.83439E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.87015E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.85357E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82767E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80781E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76689E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81446E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.78611E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.80825E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.86556E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.87725E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83658E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81430E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85597E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80591E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77520E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78036E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83632E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84346E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81587E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.90247E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80084E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.82807E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83742E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.81846E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.76950E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.79682E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.87144E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81804E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83557E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.78354E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85688E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83617E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76632E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85101E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.84449E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.77445E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74121E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81535E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78286E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.79789E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.87776E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79814E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.79567E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78343E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.75859E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80603E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75938E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78356E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.77067E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75211E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74163E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81438E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78393E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.80348E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.82361E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.75490E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76333E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75771E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.83517E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81135E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.75368E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88109E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.79045E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88001E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81074E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.75266E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74592E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.77601E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.77301E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.81265E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77826E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78452E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79744E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78401E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.80227E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.82662E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78435E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.86600E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.79503E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.79312E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.84343E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86092E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86175E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81934E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85428E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.80619E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85430E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.86421E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83743E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.86640E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.79064E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.79664E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.78138E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86175E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76460E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.75875E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.76777E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.75288E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86074E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.77994E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.85930E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84249E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79731E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.77795E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.77611E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84483E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.86198E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.80494E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.80353E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_11.float opened.
 ARIA> REVE ((segid "A   " and resid 6    and name HB1 ) OR   ( segid "A   " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HG1 ) OR   ( segid "A   " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HB1 ) OR   ( segid "A   " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HG1 ) OR   ( segid "B   " and resid 48   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    10.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_6.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_6.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_6.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 355.354, 5.16088, 40.4356, 4.14158, 236.462, 59.8584, 0, 6.64462, 2.65019, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 2.502639E-03,0.421687,0.251763,41.7272,1.297113E-02,0.851472,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:17:38       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      14.217  -5.496 -12.668  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      12.537  -5.332 -12.182  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_6.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_6.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87692E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80727E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86004E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90972E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77317E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.84456E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.85993E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.83122E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83348E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87019E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.88078E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.87357E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87559E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86436E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.83957E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79910E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83821E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.87065E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.86116E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.83752E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87839E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86165E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82797E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87210E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.82476E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.79032E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.85961E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83151E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.83255E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.85462E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.86954E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.81409E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84109E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83148E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87988E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77352E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83155E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83522E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88044E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83536E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78770E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84302E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.79857E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.86332E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.87225E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80226E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86015E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78230E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.90036E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.83197E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.85782E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.77516E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.83062E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87917E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.80841E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86238E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83356E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90867E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86952E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.76284E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.83151E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.80516E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86909E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.82904E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86836E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91045E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.82250E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85398E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91040E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.82689E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77213E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83534E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.81864E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.79315E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86318E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86109E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.82884E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.83236E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83200E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.75259E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.87038E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91074E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.78439E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.79733E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82716E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.82878E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.83908E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80536E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84987E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91007E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.86974E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.79844E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76717E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91006E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83135E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85918E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85707E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87477E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91010E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86005E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.80113E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.83619E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80759E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81317E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.85951E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86685E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83257E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85633E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83272E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91029E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.89922E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.78191E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81120E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.82022E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.81159E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.85568E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80192E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85679E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.77851E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.85651E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79803E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.90998E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79975E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.79331E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78094E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.79892E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77829E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.77243E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86378E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80429E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.80441E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.84520E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78472E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79640E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79237E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79800E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83342E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.83868E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79466E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.87097E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85589E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80350E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80725E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80671E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84747E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90978E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84850E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.85505E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.78622E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.81199E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83402E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.87064E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83331E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.87248E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.89052E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86866E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84687E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.87014E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83350E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83289E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90896E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.76410E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78311E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.74066E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.83227E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85509E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83220E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.87083E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83308E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.84698E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.83936E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.89082E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.83174E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80178E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83145E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83433E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.85558E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90981E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80772E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.78681E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84132E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.84167E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83256E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.83622E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.85116E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85526E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85522E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.85493E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79910E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.80349E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85484E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.79813E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85485E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.80909E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.79994E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.79228E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79461E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.82361E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.74946E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83560E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.78468E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78176E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.76665E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.76296E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83840E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81897E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.82432E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83178E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.85962E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83204E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.83726E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81807E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.74542E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77722E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.79004E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85354E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.85999E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.83064E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.77338E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85911E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83852E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80525E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83689E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.87113E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83806E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90878E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.87024E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83104E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.74065E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75447E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.79005E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.81497E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.77241E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74164E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83202E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.83244E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.80708E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.73661E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83200E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.78837E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.75092E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.76106E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79384E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.78672E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80877E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79973E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74580E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79747E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83682E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.78311E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90944E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79286E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83222E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83789E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.90989E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.78395E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.83077E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.83201E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.76404E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.86891E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.80825E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.83198E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85532E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.77241E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.77769E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.83636E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.80099E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76643E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77476E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78533E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.74488E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76619E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.77931E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83401E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87238E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91005E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.83651E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78621E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.87366E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.75882E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.77566E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72768E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.76484E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83724E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.76457E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79115E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77486E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.75314E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77039E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76016E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.88193E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83158E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.76352E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86268E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.78812E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84952E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79423E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83975E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78767E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78769E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.76833E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.80833E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87484E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77593E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.77504E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.79858E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76377E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.74184E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74168E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80766E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.85245E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83515E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81807E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.82248E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77974E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.78701E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87559E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83565E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79682E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.85116E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83327E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.83644E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.78070E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.82188E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87765E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.80708E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.77566E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83689E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.81497E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.86378E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78311E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85590E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82792E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87210E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.78939E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.80621E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85023E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83522E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85589E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80350E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.80980E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.79844E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.83936E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87970E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.83237E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80429E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.74220E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81215E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77759E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.80812E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85237E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.80428E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84109E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81897E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85707E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80759E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.79363E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77928E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83536E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84302E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.82009E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81317E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80877E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.89922E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83809E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.83622E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.81138E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.80277E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84226E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80876E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83586E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.81585E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.80045E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83534E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76571E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85398E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.82476E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.82221E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.76323E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.80909E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78435E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.84707E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.89429E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80192E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.81843E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78954E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.77065E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.79994E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.77067E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78767E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.78273E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75455E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74156E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.82250E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78099E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85918E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77476E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.77603E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76371E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76202E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.86029E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81034E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.75422E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.89476E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.87025E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87861E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.80499E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74155E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83685E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74613E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.79790E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.79557E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.82361E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77804E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78119E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.80841E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.77222E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.84718E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.75729E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.77658E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.88439E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.78526E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.76211E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.75289E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86092E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86182E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81156E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85431E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85596E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.82719E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83681E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.78395E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.85505E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.79728E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.77817E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86184E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76966E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.80967E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.76856E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.78555E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86061E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.75960E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.80943E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84747E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80671E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.77680E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.78300E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84471E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.81374E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.78089E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.78110E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_6.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    11.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_92.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_92.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_92.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 373.393, 4.38922, 44.1848, 9.02193, 237.922, 50.7313, 0, 11.8537, 15.2901, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 2.307969E-03,0.440803,0.371585,42.4057,1.721663E-02,2.0452,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 2, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:31:06       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      10.836   4.507 -13.010  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      11.607   5.536 -14.208  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_92.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_92.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HB1 ) OR   ( segid "A   " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87478E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80697E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86325E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90987E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.76959E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.75272E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83164E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.86046E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.84427E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87236E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.86730E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.87450E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.88155E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86639E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84281E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79945E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83378E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.87005E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83146E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.81809E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87965E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86383E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.81860E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87153E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86251E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78240E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.85886E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83145E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.86146E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.86337E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79691E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83683E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.85436E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87882E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.74922E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.85974E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83640E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83169E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86323E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.87923E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83590E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78893E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84542E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.86107E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85532E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.87427E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80665E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.83174E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.79188E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.90179E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.83200E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86400E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.77359E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.79545E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88179E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.80491E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.85663E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83821E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90927E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86898E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.76657E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.80708E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.87417E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.83302E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79312E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.84785E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91068E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81582E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.84939E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91034E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.83053E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77334E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83671E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82698E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.78431E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86074E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.82989E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.83099E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.77435E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.86255E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91082E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.78140E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.79450E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.80820E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.81822E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84015E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.79649E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.86531E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.89338E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.79246E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76226E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91051E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83179E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85042E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85807E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.81321E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91017E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86844E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.81459E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.79271E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80588E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.82481E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.83194E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86327E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.83218E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.86016E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91027E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90409E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.82921E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.76479E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.80417E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.82723E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.84661E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79962E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85750E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.79686E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.85067E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79211E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91000E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.80500E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.79297E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.77342E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.77338E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77746E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.75931E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.85895E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80122E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.84330E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80679E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.79266E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79758E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79192E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.79769E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.84060E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.82502E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.87214E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.86188E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80623E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80894E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80530E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84804E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90987E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84972E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.88145E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.84584E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.78919E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83355E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86962E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.85976E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.86249E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.81818E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.84875E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84865E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86907E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83292E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86943E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90898E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.77482E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78885E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.79125E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.83370E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85516E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83215E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.87023E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83286E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.85216E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.84935E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81505E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.83175E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80574E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83124E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83181E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.84591E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90971E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80428E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.77296E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84185E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.84162E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83268E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.79251E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.80715E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85530E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85543E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.87535E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79945E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.85533E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85525E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.80551E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85478E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81708E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.79756E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.78068E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79851E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.80389E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77343E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.87226E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83288E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74095E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78137E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74961E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.74832E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.84272E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81077E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.79804E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86318E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.78204E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.75251E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.80158E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.76805E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77414E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.79420E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.82853E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.83156E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.83014E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.77349E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85838E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83708E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.83202E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83527E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.83795E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83852E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90870E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86930E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83390E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.77391E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75662E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.85299E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.81840E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.79015E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.80582E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.80295E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74134E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83424E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.76855E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74088E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.79558E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79892E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.78617E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80856E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79574E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74543E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79947E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.84740E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.78058E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90956E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.80092E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83215E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84067E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.79984E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.84727E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.83209E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.84325E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.82823E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.86483E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86332E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85534E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.79015E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.74087E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.78053E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.76479E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76773E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.76244E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.77160E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.75478E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76625E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.75801E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83568E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87477E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.79726E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.86429E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.84068E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.75311E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.77354E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72748E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73999E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83731E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.76926E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79104E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77720E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.74555E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77174E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.75634E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87995E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83208E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.78265E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86121E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.74480E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86919E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79929E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83421E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78920E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78626E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.76228E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.82865E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87573E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77435E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.82933E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.75011E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76957E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.76441E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74000E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.79569E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85434E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.79305E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.87220E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.80158E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.81072E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77708E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.81047E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.88155E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83589E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.78554E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.80715E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.84617E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84121E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.81541E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.88005E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87846E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.80295E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.77354E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83527E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.81840E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.85016E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78885E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85127E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.81859E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87153E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79179E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.81075E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85774E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83640E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.86188E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80623E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.79749E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.79246E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.84935E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86614E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.83118E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80122E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.74221E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81146E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.78107E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.86796E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.84409E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.80779E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83683E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81077E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85807E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80588E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.80200E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78186E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83590E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84542E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81691E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.82481E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80856E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90409E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83642E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.79251E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.77037E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.83776E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.86651E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81716E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83542E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.78250E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85613E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83671E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76734E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.84939E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86251E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.79791E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74034E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81708E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78353E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77625E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.88705E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79962E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.79549E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.77932E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76594E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.79756E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76434E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.84634E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.78627E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75298E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74177E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81582E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78659E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85042E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.76244E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76668E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76662E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75795E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.81658E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81639E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.77953E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88012E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.79010E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87980E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.80208E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74098E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83787E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.78013E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.78519E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.81246E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.80389E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77306E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78653E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.80491E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.76724E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.78066E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.78212E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.77880E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.87037E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.78852E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.79433E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.81728E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86081E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86173E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.88513E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85393E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.79749E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85434E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.83616E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.84735E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.79984E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.88145E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.80315E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.81073E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86168E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.75094E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.75507E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.73229E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.77723E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86060E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.75210E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.82183E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84804E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80530E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.77621E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.81318E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84478E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.75201E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.75424E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.78406E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_92.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HB1 ) OR   ( segid "A   " and resid 26   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    12.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_112.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_112.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_112.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 382.634, 3.79474, 39.9797, 7.46288, 224.583, 50.1759, 0, 53.9642, 2.67358, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 2.145988E-03,0.419303,0.337958,42.2567,0.114446,0.855221,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 1, 1, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:34:19       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -16.783   5.812  -8.678  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -17.012   5.809 -10.420  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_112.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_112.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HG1 ) OR   ( segid "A   " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87898E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80560E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.85959E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90985E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77336E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.86855E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.86003E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.83143E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83406E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87083E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.88000E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.84585E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87820E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86531E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.79876E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79925E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83635E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.85036E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.86156E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.83636E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87185E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82489E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87181E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86820E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78678E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.86059E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83147E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80158E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83162E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.86622E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79805E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84370E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83210E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87926E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.74680E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.84242E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83166E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.83169E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88141E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83592E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78719E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84873E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.83330E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.83182E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.85556E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.75526E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86305E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78100E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89973E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85911E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86491E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78078E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.77703E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87886E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.78900E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86459E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83425E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90870E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86936E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.75944E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.84264E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.82234E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86961E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79817E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86965E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91037E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.82205E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85319E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91041E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.82144E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.76909E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83553E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.81848E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77605E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83189E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86182E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.83144E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.82946E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.75247E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91083E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82849E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87264E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.78998E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.80226E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.85180E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.82144E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.83671E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88456E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80874E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76040E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.86270E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.86441E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.83534E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91011E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85506E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.79168E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.81203E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80845E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.89552E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.85574E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.83217E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86116E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.83214E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.86224E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91022E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.82032E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.80342E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.76121E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.87320E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.81022E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.83216E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79964E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85751E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78374E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86156E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80304E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91014E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.78784E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77460E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78990E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.78818E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76189E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.83959E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86446E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80556E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.81604E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80504E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78603E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79729E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79196E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79786E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83501E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87069E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.83540E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.83300E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85598E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80710E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79553E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.83737E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90965E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84841E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.83988E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.79710E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.82415E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83383E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.87042E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83185E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.86295E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.88614E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.83299E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.86956E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83309E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.86941E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86886E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90898E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79976E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.80056E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.76410E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86111E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85533E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83215E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.87061E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83305E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89917E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.88210E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81167E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85098E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.82796E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83146E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83188E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83230E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90982E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80294E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.86784E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.85081E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.80120E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83253E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.85408E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84229E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85493E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85514E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.79863E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79925E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.78288E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85536E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.82919E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85473E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.82723E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81247E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.80046E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.81029E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.86623E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77950E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.85036E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.76969E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78482E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.77909E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.80768E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83849E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81959E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83917E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86336E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.84775E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.84551E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.82264E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.74449E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77523E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78659E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.83136E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.85842E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.82728E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.77323E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86049E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83737E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.85989E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83934E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.80022E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83598E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90869E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84800E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83174E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.81049E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75712E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.84621E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.86541E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.78926E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74142E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83191E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.85785E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.84570E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74127E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83172E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.73290E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.76544E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.75711E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.84008E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.86082E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80214E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80530E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74174E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79719E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83072E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77224E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90949E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79486E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83215E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84180E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.77586E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.84403E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86197E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.84945E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.85670E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.83000E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.83197E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85544E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.78926E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.75505E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.74058E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.80170E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.77509E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77147E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78648E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.76979E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76555E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.79255E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83341E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87115E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91013E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.79383E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.86151E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.80815E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.77598E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.79264E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72719E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.76382E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83591E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.81116E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79871E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77536E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.77534E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77436E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76808E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.86382E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.85874E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.72930E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86264E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.80853E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86923E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.76352E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83807E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79177E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.76901E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.76458E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.78738E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87447E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77701E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.78667E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.79855E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.78834E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.74399E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74978E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.81754E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85416E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.80213E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83515E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.82264E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.78199E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.78042E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.80038E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87820E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83554E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79535E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84229E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83050E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.83913E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.82510E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87870E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87289E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.84570E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.79264E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83934E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.86541E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80793E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.80056E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.80306E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82481E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87181E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79029E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.80650E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85353E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.84242E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85598E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78708E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.80874E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.88210E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87318E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82256E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80556E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76499E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81840E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77431E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.86314E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85651E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.90498E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84370E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81959E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.86441E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80845E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77516E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77986E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83592E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84873E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81672E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.89552E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80214E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.82032E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83562E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.85408E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.86516E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.79328E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.83955E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80929E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83509E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.81643E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.80125E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83553E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76816E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85319E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86820E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.79724E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.73958E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.82723E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78231E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.80164E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.88212E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79964E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80719E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78105E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76344E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81247E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75578E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.77477E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.79342E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.74746E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74183E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.82205E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78848E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.86270E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77147E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.77133E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.77014E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76739E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.84181E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81399E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.77709E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88822E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.85519E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87964E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81972E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74143E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83658E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74555E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.76826E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.82956E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.86623E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.76608E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78941E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.78900E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.81263E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.79367E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.75459E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78240E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.82382E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.77363E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.73966E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.75432E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86078E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86171E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81090E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85403E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.79816E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85416E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.85516E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83070E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.77586E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.83988E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78629E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.78558E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86151E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76180E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.82537E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.70667E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.82293E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86081E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.81207E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.87786E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83737E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79553E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.76366E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.82725E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84496E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.85484E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.79437E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.85029E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_112.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HG1 ) OR   ( segid "A   " and resid 13   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    13.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_5.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_5.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_5.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 456.372, 7.57582, 63.7177, 19.1599, 259.146, 79.8436, 0, 24.0616, 2.86813, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 3.032154E-03,0.529344,0.541509,42.9025,2.455065E-02,0.885791,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 1, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:17:10       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      -6.248  -3.268 -11.499  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      -7.244  -4.238 -12.574  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_5.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_5.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HB1 ) OR   ( segid "A   " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HG1 ) OR   ( segid "B   " and resid 48   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.88081E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.84608E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86523E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90982E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.76896E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.75074E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83208E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.86014E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83374E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87059E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.86470E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.83429E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.88075E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.87049E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.79869E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79998E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83558E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.82626E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83180E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.83953E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87843E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86124E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82010E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87168E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.85180E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.79008E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83386E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.84750E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.86639E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.85829E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.85719E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79661E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83698E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83189E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87831E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77347E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83539E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83170E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.83191E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.87511E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83978E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.79263E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84203E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.85302E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.83351E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.86038E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80038E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.85982E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.80724E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89684E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.86086E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.83183E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.77462E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.80555E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87462E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.78162E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.84227E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.84998E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90878E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86971E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.76204E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.82524E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.79555E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.84866E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79786E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.83294E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91046E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81189E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.84943E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91054E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.84425E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.78338E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83672E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.83147E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77888E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83200E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.86260E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.85379E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83186E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.76449E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83224E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91086E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.80468E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.88714E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.78287E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.77469E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.79889E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80424E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.85449E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91031E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.89089E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80418E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.78314E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.90999E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83728E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.82583E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.86239E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87447E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.90997E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85851E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.80134E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.83668E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80651E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.90992E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.84938E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.83259E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.85696E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.86787E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.85632E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91037E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.82037E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.77823E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.86273E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.84100E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.85663E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.86790E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79871E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85015E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78688E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.85880E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80079E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91010E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79975E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78495E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78694E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.81258E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77103E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.85016E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86403E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80434E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.82485E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.85287E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.79860E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79693E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79211E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79796E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83444E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87107E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79181E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.86913E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85639E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80379E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80658E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79470E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.83339E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90963E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84791E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.78269E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.82579E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.85380E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.87003E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84840E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83202E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.87202E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.85552E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86869E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84741E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86980E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83329E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83289E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90901E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.77381E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78752E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.74787E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86981E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85523E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83234E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83340E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83325E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.85104E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.84056E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81538E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.86156E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80728E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.84720E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83408E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83264E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90970E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.79894E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.78439E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84223E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.84124E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83301E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.84255E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.76669E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85692E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85558E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.80727E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79998E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.81225E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85776E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.81452E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85483E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.80900E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80354E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.78857E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.80187E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.81930E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.74686E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83747E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.84338E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74137E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78182E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.77928E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.73401E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83753E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81934E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.81423E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83304E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86944E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.79673E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.73957E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.79605E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.74120E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.75295E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.76887E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.82403E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.82413E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.78740E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85952E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83758E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80601E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.77827E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.84010E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90870E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86983E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79707E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.80222E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.76976E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.87306E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.84674E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.76770E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74085E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86062E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.83233E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.85732E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.75404E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83204E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.72734E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.75450E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.73968E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.84263E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79587E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.79648E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80218E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.76411E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79734E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83329E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.78221E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90950E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.80084E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83239E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83416E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91042E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.85048E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.78508E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86069E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.73609E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.80228E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.80629E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86139E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85539E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.76770E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.74178E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.74250E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.79856E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.85607E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.78473E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.78318E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.77457E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76316E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.76469E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83644E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87548E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91042E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.78690E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.81833E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.84601E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.76071E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.77447E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.74515E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73568E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83766E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.81242E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.83116E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77675E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.74745E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.76659E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.75400E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.86705E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.85852E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.74230E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86226E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.74812E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84954E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79160E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83047E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78901E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78941E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.78479E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.78313E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87282E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.82500E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.77395E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.74776E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76281E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.74238E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74183E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80215E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85419E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.85829E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83657E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.79605E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.77218E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77587E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.78818E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.88075E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83530E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.82926E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.76669E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.86320E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84399E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.81348E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.82029E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87308E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.85732E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.77447E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83610E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.84674E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80519E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78752E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.82656E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82007E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87168E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79778E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.82716E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85254E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83539E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85639E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80379E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78729E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.80418E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.84056E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87758E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82615E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80434E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.76496E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81522E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77600E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85313E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85644E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.79780E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83698E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81934E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.86239E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80651E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.78438E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78580E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83978E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84203E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.80272E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.90992E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.79648E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.82037E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83801E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.84255E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.83705E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.83922E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.86281E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81616E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83526E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.78787E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85026E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83672E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76824E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.84943E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.85180E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.80798E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74225E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.80900E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78408E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78913E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.86983E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79871E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.79952E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78002E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76311E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80354E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76693E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.79130E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.75967E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.74457E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74843E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81189E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.79030E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.82583E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.78473E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.80521E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76376E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75904E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.85096E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81529E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.77369E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.89924E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.81401E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87820E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81950E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74174E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.84066E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74581E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.79671E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.84528E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.81930E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.76360E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.79838E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.78162E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78670E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.80910E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.76852E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.77267E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.85864E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.85220E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.78015E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.87304E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86087E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86168E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.88000E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85417E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.81687E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85419E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.84707E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83327E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.85048E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.78269E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78582E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.75543E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86182E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76590E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.76021E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.75929E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.75083E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86075E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.78297E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.89231E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83339E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79470E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.79964E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.73351E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84535E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.84887E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.78167E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.80378E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_5.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HB1 ) OR   ( segid "A   " and resid 6    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HG1 ) OR   ( segid "B   " and resid 48   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    14.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_101.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_101.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_101.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 497.013, 6.50089, 67.2764, 12.0963, 239.631, 67.4871, 0, 88.3626, 15.6584, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 2.808813E-03,0.543925,0.430264,41.9311,0.246291,2.06969,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 2, 2, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:32:34       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -12.877  -9.393  15.010  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -14.091  -8.464  14.144  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_101.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_101.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87190E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80777E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86046E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90982E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77554E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.78515E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83136E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85939E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83374E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87052E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.88083E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.83852E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87733E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86220E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.79868E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79875E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83679E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.89937E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83131E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.83240E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87797E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.85884E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82578E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87180E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.83408E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78628E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83152E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.85986E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.83183E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.85649E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.87079E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79483E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83972E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83153E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.88069E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77344E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83154E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83518E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83167E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86367E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88090E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78838E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84683E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.80358E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85316E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.86986E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.86700E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.85996E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78523E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89934E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85982E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86409E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78127E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.83295E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87687E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.80387E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86862E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83280E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90911E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86915E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.75806E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.82448E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.79562E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.87003E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79737E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86943E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91049E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81432E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.84641E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91046E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.80026E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.75352E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83845E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82799E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77658E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.85979E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86125E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.80417E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.83110E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86305E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.82325E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.85070E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91078E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82750E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.86430E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.77691E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.80035E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84920E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80650E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.85735E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91002E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.84377E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.79525E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.77416E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.85213E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85764E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85480E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87550E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91007E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86220E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.79222E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.81337E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80733E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81967E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.86915E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86775E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83276E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85544E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83298E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91032E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90168E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.78308E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.83805E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.81111E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.87587E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.85233E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.81062E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.84676E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.80002E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.85121E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79233E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.80147E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78966E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.77576E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.76544E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77124E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.82087E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.85930E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80143E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.85047E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.86257E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.79107E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79711E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79195E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79820E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87308E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79393E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.84482E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.84918E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80071E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80810E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80660E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84730E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90966E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84947E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.79674E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.81970E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.84283E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.87037E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84729E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.87097E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.86766E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.76938E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.83286E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.86968E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83319E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.86964E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86857E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90911E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.78053E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.79867E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.85354E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86066E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85557E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83216E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83359E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83293E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89778E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.83221E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81613E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85188E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.85190E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.85978E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.86825E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.85296E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.91049E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80073E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.82959E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.85215E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.80077E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83420E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76896E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84118E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85582E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85526E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.81947E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79875E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.77702E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85578E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.81603E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85624E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81144E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80321E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.80235E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79485E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.82683E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.74881E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83639E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.85723E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.76107E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78108E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74886E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.75383E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83828E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81983E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.82845E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83198E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.85590E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83039E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74559E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81696E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.76216E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.78222E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78708E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85770E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.83156E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.82954E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.76969E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85979E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.84004E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80368E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83876E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.81590E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.84103E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90878E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84764E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79807E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.76926E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.88054E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.75344E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.82423E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.76848E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.65518E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.85829E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.80746E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.84596E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74181E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83174E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.71886E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74676E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.74553E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79675E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.78234E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80862E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80552E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74487E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79881E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.84575E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77765E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90944E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79149E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83214E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.90992E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.87800E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.78240E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.85563E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.81238E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.81006E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.87359E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86021E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85577E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.76848E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.74314E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.76089E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.77644E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76752E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77366E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.79012E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.77723E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76289E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.76160E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83223E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86514E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.90948E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.86016E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.79253E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.85691E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.75363E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.79371E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.75352E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.75659E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83635E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.76316E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79102E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77878E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.74611E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.75990E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.75403E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87867E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.85107E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.74775E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86293E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.75763E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86900E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.80574E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83515E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78484E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78509E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.77462E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.80963E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87699E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77790E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.79120E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.84468E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76364E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.74159E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74040E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.79865E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85455E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.83400E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83839E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81696E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.84186E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77837E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.80238E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87733E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83655E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79069E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84118E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.80556E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.83852E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.80908E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87787E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.88004E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.84596E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.79371E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83876E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.82423E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80770E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.79867E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.84890E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82573E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87180E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81075E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79264E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84837E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83518E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.84918E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80071E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.80258E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.79525E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.83221E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87708E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82710E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80143E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.75208E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81421E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77902E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.80675E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85719E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.87949E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83972E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81983E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85480E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80733E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77643E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77944E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84683E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81245E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81967E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80862E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90168E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83766E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76896E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.84379E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.80115E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.85179E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80910E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80628E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85190E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83845E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76777E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.84641E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.83408E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.76735E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74139E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81144E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78324E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.80538E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.87989E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.81062E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.81345E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.77902E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76702E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80321E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.77167E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78642E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.75648E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75235E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74174E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81432E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.77722E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85764E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77366E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.77885E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76214E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75699E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.80515E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81524E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.76783E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88074E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.85933E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87893E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.80509E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74096E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83606E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.80520E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.78878E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.80277E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.82683E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77882E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78218E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.80387E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78196E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.82716E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.78953E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.77651E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.89100E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.86686E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74560E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.75801E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86072E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86187E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81872E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85344E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.84741E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85455E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.83452E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.84571E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.87800E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.79674E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.80480E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.74944E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86127E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.74158E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.77040E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.77104E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.78745E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86073E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.76047E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.80552E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84730E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80660E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.79698E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.81481E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84485E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.77696E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.76991E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.78115E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_101.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    15.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_98.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_98.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_98.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 581.222, 12.3436, 68.7731, 10.8646, 242.709, 109.484, 0, 130.031, 7.01666, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 3.870409E-03,0.549942,0.407771,43.3729,0.175892,1.38547,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 3, 2, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:32:12       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1      14.366  11.943   0.803  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1      15.306  12.963   1.882  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_98.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_98.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HD1 ) OR   ( segid "A   " and resid 7    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.85945E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80415E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86207E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90987E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.78977E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.81100E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.85983E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.83132E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.87001E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.83339E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87714E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.84213E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87927E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86693E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84499E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79882E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83601E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.82652E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83148E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.86990E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87156E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83158E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82710E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87142E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86276E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78897E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83157E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.86020E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.83071E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83153E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83262E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.83448E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84193E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83158E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87924E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77613E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.84251E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83158E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86092E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88041E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83867E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78751E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84230E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.83209E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.83156E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.76178E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.85335E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.79203E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.81924E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85575E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86774E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78054E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.78519E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.87761E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.78024E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.83163E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.89342E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.91029E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.85111E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.75918E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.84713E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.82021E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86846E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.83724E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86812E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91102E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81326E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.86597E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91025E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.82619E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77511E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83588E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.83244E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77404E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83218E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.82688E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.83416E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86095E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.77455E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.86312E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91076E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.85452E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.89202E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79314E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.79551E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84952E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80044E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84282E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.90966E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.83224E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.79719E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76396E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91034E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.85735E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85411E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85804E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87404E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85960E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.79193E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.81277E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.90013E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.85870E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.83213E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86065E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.86430E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.86018E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91016E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.83105E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.88838E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.78191E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.87196E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.83825E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.83234E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79565E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85595E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78953E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86255E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.81049E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91020E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.89862E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78913E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.78975E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.77986E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76785E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.82808E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.85839E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80699E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.82893E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.85225E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.82199E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.83415E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79824E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79227E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.79664E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87219E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79766E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.86984E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85568E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80791E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80886E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79508E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.83533E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90971E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.86668E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.82047E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.79897E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83305E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86867E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.85978E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.85599E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.88651E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.84967E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84693E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.87001E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83343E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86895E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90863E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.78764E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78567E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.79893E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86422E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85543E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.85854E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.86926E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.86614E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89989E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.81542E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.77679E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85231E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80143E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.86012E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.85626E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83236E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90983E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80325E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.81751E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84868E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.80058E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83286E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.86573E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.86523E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85854E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85603E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.84931E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79882E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.81035E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85498E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.80192E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85478E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81951E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.79509E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.80241E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79250E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.84704E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77693E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.87216E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83171E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74086E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78534E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.77812E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.75732E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83983E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81548E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.84016E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83220E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.85442E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.84716E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.85147E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.84230E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.77484E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77496E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78725E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85491E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.83163E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.85004E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.77350E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86015E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83691E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80230E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83533E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.77355E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83528E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90877E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.87005E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79816E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.81096E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75471E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.78649E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.85672E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.80313E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74124E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83200E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.86200E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.82329E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74167E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83262E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.73454E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.76477E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.76853E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.83956E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79962E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.79159E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80490E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74792E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79824E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.82248E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.82895E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90946E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.86479E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84925E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.76373E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.81516E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.85916E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.76153E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.80390E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.80328E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85549E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.80313E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.75160E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.74063E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.76996E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.77763E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.76909E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.77611E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.79078E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.78743E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.78297E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83334E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87093E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.90994E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.85623E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.79075E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.83475E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.79772E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.81177E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72711E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73595E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.84067E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.79580E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79577E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77709E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.78634E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77096E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76513E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87327E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83174E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.75871E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.87302E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.81483E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86844E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.78507E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.87557E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78771E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77788E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.78038E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.75012E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.86138E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.80615E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.79589E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.85479E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.77682E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.80521E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.78204E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80421E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85440E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.86266E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83738E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.84230E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.77761E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77655E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.80654E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87927E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83757E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79773E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.86523E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84263E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.77649E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.81830E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87037E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.82329E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.81177E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83533E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.85672E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80475E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78567E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.84859E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82702E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87142E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81228E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79389E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84913E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.84251E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85568E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80791E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.77889E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.79719E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.81542E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.84424E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.81047E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80699E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.75924E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82389E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.76489E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85679E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85580E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.88822E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84193E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81548E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85804E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80799E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77464E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78116E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83867E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84230E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.80785E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.90013E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.79159E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.83105E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83808E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.86573E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.77091E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.80705E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84937E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81117E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83522E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.79980E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.80102E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83588E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.78365E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.86597E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86276E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.76325E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.76527E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81951E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78301E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78302E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.86166E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79565E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80317E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.77571E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.75597E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.79509E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75757E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78500E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.80093E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75022E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74169E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81326E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78433E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85411E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.76909E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.80121E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76205E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75582E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.82590E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.79802E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.72195E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.88319E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.84137E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87906E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81613E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.76188E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.87234E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.75676E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.79211E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.84357E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.84704E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.76584E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78980E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.78024E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78322E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.79524E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.81311E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78421E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.81104E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.75597E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.76408E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74867E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86078E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86172E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.83464E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85358E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.84875E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85440E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.87768E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.82248E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.76373E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.82047E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78650E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.74583E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86133E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.74622E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.80672E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.70100E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.83672E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86083E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.84268E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.85500E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83533E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79508E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.81343E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.76108E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84490E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.82231E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.76426E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.78845E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_98.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HD1 ) OR   ( segid "A   " and resid 7    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH21) OR   ( segid "A   " and resid 17   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    16.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_122.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_122.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_122.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 678.038, 1.712, 292.087, 133.753, 221.133, 28.374, 0, 0.745377, 0.23327, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.441413E-03,1.13335,1.43074,41.4857,4.324247E-03,0.252616,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:35:58       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -13.381 -12.090  -7.329  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -12.353 -12.640  -6.014  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_122.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_122.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 18   and name HA1 ) OR   ( segid "A   " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87547E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80786E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86181E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90985E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77450E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.77649E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.86016E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.83139E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83412E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87086E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87864E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.84537E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87844E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86362E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84161E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79894E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83649E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.85476E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83133E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.84070E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87522E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.86001E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82848E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87158E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86797E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78753E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83207E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.85480E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.86452E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83152E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.86839E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.81219E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83986E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83154E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87959E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77505E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.86110E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.84231E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83157E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86427E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88083E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83650E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78821E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84451E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.85828E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.85610E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.77128E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86309E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78267E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89695E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85337E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.87022E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78158E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.80074E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88042E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.80045E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86246E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83728E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90866E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86904E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.83675E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.84959E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.82662E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.84810E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.83531E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.83307E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91037E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81485E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91033E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.78157E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.84295E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.85467E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82730E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.78714E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86036E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86193E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.80369E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.85918E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86211E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.80861E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83207E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91080E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82133E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.88555E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.80761E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.80771E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84838E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80535E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84390E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.90994E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88629E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.79857E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76379E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91007E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83148E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85870E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.86056E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87472E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85928E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.80124E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.83640E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80778E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.90452E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.85745E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86106E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83216E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.86235E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83217E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91020E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.82967E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.89348E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.77923E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.80658E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.86408E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.87318E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79788E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85871E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78250E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86809E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80195E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91012E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.78462E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77246E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.80044E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.81843E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.75790E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.85727E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86481E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80803E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.81575E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80588E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78929E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79746E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79191E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79801E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83548E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87119E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79795E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.83305E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85433E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80805E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80714E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79735E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84255E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90961E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84850E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.85028E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.79566E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.82096E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83318E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86926E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83195E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.85812E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.83565E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.83294E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.86946E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83302E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.86929E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86875E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90898E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79468E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78282E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.78504E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.83261E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85538E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.86085E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.86961E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83294E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89886E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.82032E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.88524E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85524E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80610E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.85451E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.85830E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83451E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90978E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80623E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.84568E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84762E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.79964E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83282E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76131E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.83395E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85514E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85523E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.79262E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79894E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.85420E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85488E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.85249E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85481E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81374E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81223E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79073E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.83705E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77235E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.84048E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83151E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74566E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78215E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74875E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.74763E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83855E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81915E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83404E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83172E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86385E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83850E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.80460E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.82005E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.76892E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77810E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78777E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.82501E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.86152E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.85257E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.76837E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86138E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83672E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.83069E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83548E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.81974E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83792E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90875E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84813E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83493E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.76287E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75629E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.76579E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.83896E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.79648E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74149E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86191E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.80416E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.82146E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74157E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83208E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.76050E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.74204E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.75706E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.84206E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.84486E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80373E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79653E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.78458E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79713E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83197E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.76953E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90951E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.78735E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.86257E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83588E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.78216E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.83727E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.85497E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.85663E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.83016E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85557E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.79648E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.77813E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.75309E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.79565E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.74950E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77099E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.77509E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.77574E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76293E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.76734E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87436E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91026E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.83281E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78649E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.87476E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.75526E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.83121E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72748E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73806E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83623E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.79891E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79860E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77701E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.77959E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77294E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.75844E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87148E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.85844E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.72737E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86238E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.77360E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86916E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.76262E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.84108E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79390E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77031E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.82295E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.83733E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.88174E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77461E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.80891E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.78810E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76971E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.78596E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74993E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.81658E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85416E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.85156E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83828E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.82005E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.81706E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77913E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.82016E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87844E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83552E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79150E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.83395E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83385E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.83722E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.77791E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87877E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87990E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.82146E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.83121E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83548E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.83896E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80674E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78282E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.80317E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82842E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87158E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81686E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79224E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84541E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.84231E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85433E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80805E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78726E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.79857E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.82032E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86865E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82168E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80803E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.75599E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81939E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77261E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85674E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85701E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.80323E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83986E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81915E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.86056E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80778E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.79813E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78216E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83650E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84451E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81569E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.90452E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80373E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.82967E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83696E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76131E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.77746E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.79940E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.85661E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.81073E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83522E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80289E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.80084E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.85467E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.78992E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.83516E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86797E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.80771E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74099E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81374E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78362E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77579E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.87804E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79788E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80812E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.77946E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76036E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81223E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76533E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.77352E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.77961E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.74952E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74142E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81485E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78596E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85870E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77099E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76583E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76416E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76586E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.85461E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81238E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.75636E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.87922E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.84638E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88011E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81713E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74198E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.84197E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74599E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.76566E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.81609E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.83705E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.77078E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.77854E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.80045E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.79034E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.78877E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.76831E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78054E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.89117E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.81173E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74107E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74859E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86090E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86174E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.85365E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85407E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85666E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85416E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.85234E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83196E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.78216E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.85028E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78713E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.79120E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86184E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76915E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.79323E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.75499E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.77470E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86066E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.80151E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.85931E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84255E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79735E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.77020E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.82435E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84471E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.78424E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.75198E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.81525E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_122.float opened.
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HB1 ) OR   ( segid "A   " and resid 11   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 18   and name HA1 ) OR   ( segid "A   " and resid 18   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HE1 ) OR   ( segid "A   " and resid 28   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HB1 ) OR   ( segid "B   " and resid 51   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HE1 ) OR   ( segid "B   " and resid 51   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    17.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_138.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_138.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_138.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 690.555, 1.80355, 291.544, 137.094, 221.974, 34.0786, 0, 1.34271, 2.7193, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.479452E-03,1.1323,1.4485,42.0801,5.838485E-03,0.862502,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 1, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:38:36       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -14.831  -6.188   2.389  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -13.269  -5.841   1.664  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_138.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_138.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.88057E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80654E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86257E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90982E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77675E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.83435E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.85806E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.86341E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83402E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87087E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.87049E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.84500E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87617E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86217E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.79872E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79885E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83993E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.82948E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83144E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.85177E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87161E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83136E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82865E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87151E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.83370E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78672E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.85811E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.83163E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.83402E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.80738E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84334E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87991E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77460E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.85459E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.84261E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86507E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88193E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83671E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78692E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.85124E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.83662E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85507E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.86748E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.75610E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86204E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78057E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89388E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85490E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86895E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78131E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.79806E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88022E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79914E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86181E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83808E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90862E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86902E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.75971E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.84694E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.82101E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86918E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79811E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86932E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91053E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.82471E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85569E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91041E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.83873E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77958E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83504E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.81665E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77458E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.85800E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86195E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.80341E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.85994E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.83188E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.75252E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.86276E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91082E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82155E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87560E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79645E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.80415E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84880E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80061E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.83972E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91009E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.86056E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80940E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.77529E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83138E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85970E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85488E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87327E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86037E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.79181E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.81249E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80778E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81774E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.83199E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86026E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86435E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.86089E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83214E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91030E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.89314E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.82865E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.76077E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.81015E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.87304E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.85934E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79936E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85492E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.77995E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86942E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.80351E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91000E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.78360E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77565E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.79455E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.80618E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76194E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.84789E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86437E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80863E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.80806E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80811E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78780E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79706E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79218E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79783E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83438E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.87122E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.83615E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.83309E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85711E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80809E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80784E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79961E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84573E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90958E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84832E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.85001E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.79065E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.81417E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83295E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86858E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.85994E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.86161E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.82786E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.83301E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.86980E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83323E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.86967E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.86890E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90890E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79278E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78364E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.78011E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86521E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85539E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.86034E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.86924E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83292E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89921E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.81627E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.77704E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85445E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80249E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.83156E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.86177E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.86398E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90971E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80455E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.85443E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84878E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.79996E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83305E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76121E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84686E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85505E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85525E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.81880E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79885E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.76914E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85494E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.81479E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85475E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.84967E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81013E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.79998E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.81296E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.87044E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.76871E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83737E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.85821E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.76398E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78503E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74735E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.75694E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.84019E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81270E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83641E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83166E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86222E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.84346E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.78152E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.84201E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.76780E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77811E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78289E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85350E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.86058E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.85337E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.76896E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85960E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83722E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80361E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83539E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.79739E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83633E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90881E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84771E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83543E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.80936E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75930E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.87175E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.88069E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.80692E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74079E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86269E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.82448E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.82303E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.73472E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83172E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.76560E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.81824E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.84235E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79864E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79419E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.79680E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80836E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.75106E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79726E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83011E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.76763E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90954E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.79636E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.86293E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84174E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91010E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.78377E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.83847E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86396E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.75571E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.82741E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.86245E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86463E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85565E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.80692E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.75141E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.74091E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.79903E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76197E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77710E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.76187E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.75837E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76577E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.78362E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83272E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86869E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91021E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.79359E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.86118E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.80847E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.76392E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.82247E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72727E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73837E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.84055E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.78613E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79866E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77741E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.76916E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77142E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76924E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87495E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.74249E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86174E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.81209E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.86931E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79448E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.84940E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79125E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77024E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.82171E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.83626E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87646E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77735E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.79221E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.85010E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.78794E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.74882E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74326E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80681E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85415E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.85330E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83981E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.84201E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.77412E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77827E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.80257E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87617E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83578E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79416E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84686E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83682E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.83957E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.79732E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.86529E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87848E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.82303E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.82247E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83539E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.88069E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80566E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78364E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85130E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82858E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87151E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.79287E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.81363E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84926E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.84261E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85711E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80809E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78676E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.80940E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.81627E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86208E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.81760E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80863E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.74992E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82340E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77248E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.86269E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85485E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.89065E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84334E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81270E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85488E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80778E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77629E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78071E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83671E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.85124E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81136E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81774E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.79680E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.89314E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83554E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76121E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.83824E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.81109E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84309E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80994E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83523E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80370E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.80163E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83504E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.78718E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85569E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.83370E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.83235E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74899E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.84967E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78223E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78315E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.87130E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79936E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80156E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78136E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.75820E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81013E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75617E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.77520E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.77848E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75388E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74213E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.82471E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78482E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85970E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77710E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76344E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76254E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76235E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.80907E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81380E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.75726E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.87719E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.84950E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88012E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.80813E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74397E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.87211E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74482E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.76962E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.79919E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.87044E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.76041E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.79207E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79914E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.81283E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.82802E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.77013E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78244E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.89099E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.76718E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.75366E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.77864E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86086E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86169E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81457E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85424E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.79814E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85415E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.85881E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83010E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.78377E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.85001E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.78172E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.75867E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86160E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.76500E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.83187E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.70230E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.78011E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86085E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.78172E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.84404E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84573E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79961E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.80273E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.77066E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84480E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.87501E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.79082E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.79009E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_138.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HG1 ) OR   ( segid "A   " and resid 17   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HB1 ) OR   ( segid "A   " and resid 28   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HB1 ) OR   ( segid "A   " and resid 34   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HB1 ) OR   ( segid "A   " and resid 35   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    18.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_58.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_58.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_58.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 694.359, 2.10025, 295.239, 133.116, 227.519, 34.8407, 0, 1.2131, 0.331266, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.596513E-03,1.13945,1.42733,42.1825,5.523077E-03,0.301037,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:25:43       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -17.179  -4.895  -8.240  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -18.821  -4.275  -8.146  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_58.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_58.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 25   and name HB1 ) OR   ( segid "A   " and resid 25   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87115E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80685E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86098E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90975E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.76967E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.86232E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83148E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85882E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.87103E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.83416E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.88048E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.87305E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87780E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86187E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84014E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79874E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.84046E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.88104E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83125E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.81396E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87992E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83149E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82179E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87221E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86948E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.79031E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83157E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.86121E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.80096E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.85935E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.83179E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79915E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84340E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83162E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87568E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.76812E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.83161E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.84011E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83195E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.86165E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.87887E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83711E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78581E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.86396E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.79967E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.86281E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.87320E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80667E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86001E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78847E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.90044E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.83184E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86022E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.77414E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.82499E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88010E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79286E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86091E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83444E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90861E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86880E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.79682E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.84870E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.82693E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86941E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.83095E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86895E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91051E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81571E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85226E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91045E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.86406E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.79881E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83577E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.82570E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.78055E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.86080E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86143E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.80204E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.86271E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86250E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.77489E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83874E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91081E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.78428E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.80888E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.83953E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.82787E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84080E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.80529E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84042E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.86410E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.85837E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.75933E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.90999E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83144E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.85682E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85788E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.79151E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91020E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85855E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.83715E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.80149E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80786E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.79931E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.85987E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86518E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83235E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85818E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83243E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91029E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.85958E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.82426E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.76547E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.81883E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.81247E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.85463E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.80564E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.86497E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.77938E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.85888E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79677E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.80185E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.78910E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.77865E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.79683E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.77248E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.78177E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86333E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80435E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.80374E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80585E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.78957E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.83461E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79784E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79215E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.79718E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.83707E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79568E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.87067E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.86752E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80880E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.86055E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.84115E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.79674E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90968E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84892E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.86046E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.79947E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.82881E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83353E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86984E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83904E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.84915E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.83234E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86936E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.86975E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.83318E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.86953E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.84923E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90889E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.79980E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78728E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.74152E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86524E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85518E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.85818E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.87023E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83278E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.85748E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.80791E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81369E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.83176E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.83006E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.86119E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.84899E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.85392E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90990E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.81477E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.78526E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84308E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.83952E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83226E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76161E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84109E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85517E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85525E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.84557E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79874E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.80481E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85488E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.84208E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85487E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81353E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.80640E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.78986E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79679E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.83092E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77620E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83568E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83155E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.75287E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78194E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.76506E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.80837E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83829E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81637E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.82294E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.86000E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.83169E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.83217E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.79743E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81812E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.79099E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.78025E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78344E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.85752E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.86430E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.83352E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85522E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83919E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80438E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83727E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.86752E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83578E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90880E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.84788E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83386E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.74255E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75463E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.77262E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.82868E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.78713E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74163E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.85911E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.83776E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.80665E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74051E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83145E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.76671E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.75691E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.75211E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79337E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.78679E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80205E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.79718E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.75966E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79751E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83843E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.78282E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90949E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.80926E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.85746E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83703E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91004E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.78729E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.83034E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.85810E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.77690E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.80751E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.86728E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86107E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85532E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.78713E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.82947E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.85643E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.80315E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76151E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77517E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.77932E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.75200E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76727E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.76337E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.85988E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.86034E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.83897E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78652E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.87295E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.80083E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.77904E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.74462E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.74507E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83662E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.80272E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79211E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77393E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.77432E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.81110E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.77896E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87974E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83181E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.75375E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86806E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.76868E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.83303E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.78007E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.87054E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.80231E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.76930E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.76352E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.88595E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87590E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77473E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.78381E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.79480E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76687E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.75544E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74160E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.80269E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85423E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.84865E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.84220E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81812E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.81911E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77760E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.84527E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87780E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83553E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79223E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84109E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83664E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84298E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.79557E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.88105E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87907E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.80665E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.77904E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83727E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.82868E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.85991E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78728E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85809E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82175E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87221E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.80545E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79003E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.84555E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.84011E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.86752E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80880E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78810E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.85837E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.80791E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.87381E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.81638E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80435E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.78675E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82415E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.78126E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.85980E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85956E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.80036E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84340E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81637E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85788E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80786E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77272E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.77576E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83711E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.86396E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.85043E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.79931E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80205E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.85958E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83793E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76161E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.77234E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.80041E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.83748E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80896E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83517E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.81631E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85071E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83577E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76658E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85226E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86948E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.83934E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.76114E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81353E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78252E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.80794E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.81978E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.80564E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.81043E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78754E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76664E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.80640E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75865E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.77387E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.89170E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75752E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74246E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81571E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78211E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.85682E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77517E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76060E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76115E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.75830E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.81072E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81835E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.75125E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.89983E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.86560E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87920E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.80899E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74435E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.87256E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74591E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.77511E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.82953E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.83092E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.78871E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.77494E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79286E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78039E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.78991E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.75957E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.78468E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.88246E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.79598E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74020E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74909E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86093E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86176E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81224E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85431E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85548E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85423E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.84506E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83841E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.78729E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.86046E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.79523E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.75698E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86178E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.75238E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.75577E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.77114E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.76096E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86066E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.80849E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.85501E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.79674E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.84115E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.79145E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.75678E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84474E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.85707E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.80146E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.78651E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_58.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 2    and name HB1 ) OR   ( segid "A   " and resid 2    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HB1 ) OR   ( segid "A   " and resid 12   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 25   and name HB1 ) OR   ( segid "A   " and resid 25   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 33   and name HB1 ) OR   ( segid "A   " and resid 33   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HG1 ) OR   ( segid "A   " and resid 37   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HD11) OR   ( segid "B   " and resid 42   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HB1 ) OR   ( segid "B   " and resid 47   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HG1 ) OR   ( segid "B   " and resid 51   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    19.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_29.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_29.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_29.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 694.978, 2.06539, 293.982, 135.123, 226.908, 34.383, 0, 1.93666, 0.579678, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.583205E-03,1.13702,1.43805,42.1042,6.993126E-03,0.398222,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:21:03       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -18.314   2.705  -0.952  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -18.998   3.972  -1.960  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_29.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_29.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87015E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.83421E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86371E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90982E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.76962E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.75863E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.86072E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.86069E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.87156E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.84482E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.86809E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.87260E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87526E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86262E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.83869E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.79887E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.83905E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.84045E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83158E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.80499E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.88233E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83165E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82404E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87212E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.86534E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78933E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83154E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.85958E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.85510E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.86369E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.85359E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.83464E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.83913E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83152E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87835E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77078E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.85973E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83891E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83156E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.83164E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.87568E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.79222E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.86596E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.85040E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.84889E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.85571E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.85755E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.85992E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78048E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89766E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85611E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86804E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78165E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.86506E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88055E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79756E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.86302E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83229E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90884E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86903E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.77135E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.80755E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.87628E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.83250E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.79167E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.85047E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91038E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.82258E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.86997E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91024E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.79094E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.74581E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83950E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.81933E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.77478E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83213E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86124E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.83190E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.78644E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86200E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.78342E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.83219E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91082E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82925E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87906E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79459E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.80779E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84845E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.81269E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84806E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.90994E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.85164E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.79398E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.76591E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.91014E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83156E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.86243E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.86076E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.87483E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.91006E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.85940E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.80130E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.83652E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80758E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.79430E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.83358E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.85775E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.86651E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85846E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83231E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91027E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.85007E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.80962E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.76505E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.80923E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.86480E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.87198E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.82843E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.83520E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.79152E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.85983E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79262E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.90987E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.78797E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77351E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.80272E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.80920E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.75616E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.83976E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86002E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80510E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.83321E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.80735E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.79574E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79758E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79186E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79779E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83543E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.84136E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79922E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.84761E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85954E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80767E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80714E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.79534E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.83644E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90968E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84901E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.87936E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.83954E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.78664E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.83334E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.86966E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83205E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.85444E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.78255E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86900E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84841E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86916E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83292E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83307E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90890E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.80323E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.79360E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.78769E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.83225E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85544E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.85860E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.86981E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83291E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.90211E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.80729E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.77698E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85460E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.82885E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.85937E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.85448E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.83377E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90983E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.80834E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.85116E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84912E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.79982E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83317E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.76105E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.84892E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85512E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85526E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.80859E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.79887E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.80618E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85496E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.79332E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85472E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.82556E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81437E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.78325E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.82480E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.77199E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.87236E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74294E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78130E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.74944E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.79810E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83831E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81893E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.82529E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83154E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.86138E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.82617E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.74198E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.81755E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.74512E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.78100E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.78691E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.83127E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.86180E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.80094E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.87911E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.86032E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83874E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80586E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.84288E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.85607E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83732E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90869E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86928E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.83499E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.79856E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.85044E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.77591E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.82832E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.76781E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.79219E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.86180E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.86206E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.84558E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.73985E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83147E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.76448E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.75706E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.82378E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.80078E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.81085E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80526E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.82226E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.76280E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79846E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.84496E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.76798E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90954E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.80537E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.85915E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.84632E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.79744E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.84007E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.83227E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.76946E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.85534E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.84221E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.83209E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85587E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.76781E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.74078E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.74134E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.79168E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.76908E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.77691E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.75820E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.77695E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.78715E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.75601E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.85343E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.85401E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91001E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.84730E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78801E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.83770E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.77686E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.80221E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.74512E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73552E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83828E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.81666E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79658E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.76892E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.77413E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.76169E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.75269E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.86156E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83166E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.73803E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86466E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.78819E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84899E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79578E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.83803E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.78512E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.77723E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.76027E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.80349E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87500E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.78299E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.77217E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.79519E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.78272E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.76467E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.75017E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.81452E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85420E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.82358E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.83550E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.81755E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.76899E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.77577E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.84970E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87526E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83605E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79495E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.84892E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.83723E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.83945E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.77234E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.87887E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.86905E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.84558E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.80221E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.84288E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.82832E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80858E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.79360E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.84759E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82399E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87212E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81033E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79210E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.86469E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83891E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85954E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80767E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.80959E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.79398E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.80729E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86657E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.82228E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80510E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.75899E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.81865E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77480E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.80690E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85876E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.80256E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.83913E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81893E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.86076E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80758E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.77967E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78108E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83525E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.86596E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.80037E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.79430E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80526E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.85007E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83609E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.76105E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.82717E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.83918E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.85670E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80982E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83513E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80629E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.82711E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83950E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.77481E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.86997E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.86534E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.84144E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.75581E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.82556E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78315E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77401E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.88154E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.82843E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.81608E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.77767E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76139E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81437E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.75873E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78455E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.80271E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.75953E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74155E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.82258E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78185E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.86243E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.77691E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76878E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76212E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76486E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.85338E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.78312E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.72211E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.89034E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.85245E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.88049E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81361E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74153E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.83532E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.83275E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.77709E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.80327E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.82923E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.75914E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78535E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79756E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.77129E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.79192E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.77329E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.79362E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.88610E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.77056E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74438E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.74975E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86083E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86173E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.86898E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85409E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85312E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85420E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.84971E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.84491E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.79744E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.87936E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.80500E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.74435E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86171E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.74242E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.82217E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.76604E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.86517E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86069E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.81424E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.87418E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83644E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.79534E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.81928E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.77834E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84476E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.85855E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.79624E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.78110E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_29.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 3    and name HB1 ) OR   ( segid "A   " and resid 3    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HB1 ) OR   ( segid "A   " and resid 7    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HB1 ) OR   ( segid "A   " and resid 8    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HG1 ) OR   ( segid "A   " and resid 8    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 8    and name HD1 ) OR   ( segid "A   " and resid 8    and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 11   and name HG1 ) OR   ( segid "A   " and resid 11   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HD1 ) OR   ( segid "A   " and resid 13   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HE1 ) OR   ( segid "A   " and resid 13   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 16   and name HB1 ) OR   ( segid "A   " and resid 16   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HH11) OR   ( segid "A   " and resid 17   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HG1 ) OR   ( segid "A   " and resid 19   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH11) OR   ( segid "A   " and resid 19   and name HH12)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 20   and name HB1 ) OR   ( segid "A   " and resid 20   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 23   and name HG11) OR   ( segid "A   " and resid 23   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 24   and name HB1 ) OR   ( segid "A   " and resid 24   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HG1 ) OR   ( segid "A   " and resid 28   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HG1 ) OR   ( segid "A   " and resid 34   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HE1 ) OR   ( segid "A   " and resid 34   and name HE2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HB1 ) OR   ( segid "A   " and resid 38   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HB1 ) OR   ( segid "B   " and resid 41   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HB1 ) OR   ( segid "B   " and resid 44   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HG1 ) OR   ( segid "B   " and resid 44   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 44   and name HD1 ) OR   ( segid "B   " and resid 44   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HD1 ) OR   ( segid "B   " and resid 47   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HB1 ) OR   ( segid "B   " and resid 52   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    20.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as true
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 EVALUATE: symbol $FILE set to "PREVIT:wwsp2_15_148.pdb" (string)
 CNSsolve>   display $file 
PREVIT:wwsp2_15_148.pdb
 CNSsolve>   coor init end 
 COOR: selected main coordinates initialized
 CNSsolve>   if ($file ne "") then 
 NEXTCD: condition evaluated as true
 CNSsolve>      coor @@$file 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_148.pdb opened.
 COOR>REMARK FILENAME="/usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2" 
 COOR>REMARK =============================================================== 
 COOR>REMARK            overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK energies: 696.903, 2.29019, 294.843, 134.107, 233.243, 30.487, 0, 1.62371, 0.310294, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK            bonds,angles,impropers,dihe,noe,cdih,coup,sani,dani,vean 
 COOR>REMARK rms-dev.: 1.667142E-03,1.13868,1.43263,41.946,6.412224E-03,0.291353,0,0,0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK               noe,cdih,coup,sani,dani,vean 
 COOR>REMARK               >0.3,>5,>1,>0,>5 
 COOR>REMARK violations.: 0, 0, 0, 0, 0, 0 
 COOR>REMARK =============================================================== 
 COOR>REMARK DATE:03-Sep-2015  12:40:11       created by user: fkieken 
 COOR>REMARK VERSION:1.1 
 COOR>ATOM      1  HA1 GLY     1     -18.953  -5.034  12.921  1.00  0.00      A 
 COOR>ATOM      2  HA2 GLY     1     -20.264  -4.252  12.050  1.00  0.00      A 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 EVALUATE: symbol $FLOATFILE set to "PREVIT:wwsp2_15_148.float" (string)
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 MISCOM: file exists
 EVALUATE: symbol $QFLOATFILE set to TRUE (logical)
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_148.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>      aria 
 ARIA>         analyse_restraints aver end 
DISACC: accumulating distance matrix with dimension  337
 AMBVAC: read in   860 distances in mode ACCU
 ARIA>         countvio threshold $Iterations.violtoler end 
 ARIEXC: peak, lower, upper, distance    2    0.16000E+01    0.28000E+01    0.87066E+00
 ARIEXC: peak, lower, upper, distance   15    0.19000E+01    0.43000E+01    0.80546E+00
 ARIEXC: peak, lower, upper, distance   16    0.19000E+01    0.41000E+01    0.86029E+00
 ARIEXC: peak, lower, upper, distance   17    0.16000E+01    0.26000E+01    0.90977E+00
 ARIEXC: peak, lower, upper, distance   18    0.20000E+01    0.48000E+01    0.77416E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.45000E+01    0.75771E+00
 ARIEXC: peak, lower, upper, distance   20    0.19000E+01    0.39000E+01    0.83140E+00
 ARIEXC: peak, lower, upper, distance   25    0.19000E+01    0.43000E+01    0.85999E+00
 ARIEXC: peak, lower, upper, distance   27    0.18000E+01    0.36000E+01    0.83386E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.49000E+01    0.87062E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.45000E+01    0.88030E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.44000E+01    0.87302E+00
 ARIEXC: peak, lower, upper, distance   34    0.16000E+01    0.30000E+01    0.87748E+00
 ARIEXC: peak, lower, upper, distance   36    0.18000E+01    0.40000E+01    0.86361E+00
 ARIEXC: peak, lower, upper, distance   38    0.19000E+01    0.47000E+01    0.84192E+00
 ARIEXC: peak, lower, upper, distance   39    0.18000E+01    0.38000E+01    0.83841E+00
 ARIEXC: peak, lower, upper, distance   40    0.19000E+01    0.47000E+01    0.79887E+00
 ARIEXC: peak, lower, upper, distance   41    0.17000E+01    0.31000E+01    0.84036E+00
 ARIEXC: peak, lower, upper, distance   42    0.19000E+01    0.45000E+01    0.83138E+00
 ARIEXC: peak, lower, upper, distance   45    0.20000E+01    0.56000E+01    0.83815E+00
 ARIEXC: peak, lower, upper, distance   56    0.19000E+01    0.43000E+01    0.87816E+00
 ARIEXC: peak, lower, upper, distance   57    0.19000E+01    0.39000E+01    0.83149E+00
 ARIEXC: peak, lower, upper, distance   58    0.20000E+01    0.48000E+01    0.82997E+00
 ARIEXC: peak, lower, upper, distance   61    0.19000E+01    0.41000E+01    0.87220E+00
 ARIEXC: peak, lower, upper, distance   62    0.19000E+01    0.45000E+01    0.83040E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.60000E+01    0.78304E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.83178E+00
 ARIEXC: peak, lower, upper, distance   65    0.19000E+01    0.41000E+01    0.85659E+00
 ARIEXC: peak, lower, upper, distance   66    0.19000E+01    0.43000E+01    0.86485E+00
 ARIEXC: peak, lower, upper, distance   68    0.17000E+01    0.31000E+01    0.85985E+00
 ARIEXC: peak, lower, upper, distance   69    0.17000E+01    0.35000E+01    0.85853E+00
 ARIEXC: peak, lower, upper, distance   70    0.20000E+01    0.52000E+01    0.79905E+00
 ARIEXC: peak, lower, upper, distance   71    0.19000E+01    0.45000E+01    0.84165E+00
 ARIEXC: peak, lower, upper, distance   72    0.19000E+01    0.45000E+01    0.83153E+00
 ARIEXC: peak, lower, upper, distance   73    0.19000E+01    0.45000E+01    0.87968E+00
 ARIEXC: peak, lower, upper, distance   74    0.20000E+01    0.60000E+01    0.77855E+00
 ARIEXC: peak, lower, upper, distance   75    0.19000E+01    0.45000E+01    0.85659E+00
 ARIEXC: peak, lower, upper, distance   76    0.19000E+01    0.39000E+01    0.83553E+00
 ARIEXC: peak, lower, upper, distance   77    0.18000E+01    0.38000E+01    0.83177E+00
 ARIEXC: peak, lower, upper, distance   78    0.16000E+01    0.30000E+01    0.85827E+00
 ARIEXC: peak, lower, upper, distance   79    0.17000E+01    0.31000E+01    0.88126E+00
 ARIEXC: peak, lower, upper, distance   81    0.19000E+01    0.39000E+01    0.83613E+00
 ARIEXC: peak, lower, upper, distance   83    0.20000E+01    0.50000E+01    0.78812E+00
 ARIEXC: peak, lower, upper, distance   85    0.17000E+01    0.33000E+01    0.84375E+00
 ARIEXC: peak, lower, upper, distance   87    0.19000E+01    0.43000E+01    0.80035E+00
 ARIEXC: peak, lower, upper, distance   88    0.18000E+01    0.40000E+01    0.85883E+00
 ARIEXC: peak, lower, upper, distance   89    0.18000E+01    0.40000E+01    0.87303E+00
 ARIEXC: peak, lower, upper, distance   93    0.20000E+01    0.54000E+01    0.80524E+00
 ARIEXC: peak, lower, upper, distance   94    0.18000E+01    0.36000E+01    0.86070E+00
 ARIEXC: peak, lower, upper, distance   96    0.20000E+01    0.50000E+01    0.78141E+00
 ARIEXC: peak, lower, upper, distance   97    0.17000E+01    0.33000E+01    0.89699E+00
 ARIEXC: peak, lower, upper, distance   98    0.18000E+01    0.38000E+01    0.85378E+00
 ARIEXC: peak, lower, upper, distance   99    0.19000E+01    0.41000E+01    0.86970E+00
 ARIEXC: peak, lower, upper, distance  100    0.20000E+01    0.54000E+01    0.78196E+00
 ARIEXC: peak, lower, upper, distance  101    0.20000E+01    0.52000E+01    0.79685E+00
 ARIEXC: peak, lower, upper, distance  102    0.17000E+01    0.31000E+01    0.88065E+00
 ARIEXC: peak, lower, upper, distance  103    0.20000E+01    0.56000E+01    0.79101E+00
 ARIEXC: peak, lower, upper, distance  107    0.19000E+01    0.43000E+01    0.85548E+00
 ARIEXC: peak, lower, upper, distance  108    0.20000E+01    0.60000E+01    0.83198E+00
 ARIEXC: peak, lower, upper, distance  110    0.14000E+01    0.22000E+01    0.90860E+00
 ARIEXC: peak, lower, upper, distance  112    0.18000E+01    0.40000E+01    0.86912E+00
 ARIEXC: peak, lower, upper, distance  113    0.20000E+01    0.52000E+01    0.79330E+00
 ARIEXC: peak, lower, upper, distance  115    0.20000E+01    0.50000E+01    0.82321E+00
 ARIEXC: peak, lower, upper, distance  116    0.20000E+01    0.60000E+01    0.79557E+00
 ARIEXC: peak, lower, upper, distance  120    0.17000E+01    0.33000E+01    0.86952E+00
 ARIEXC: peak, lower, upper, distance  122    0.20000E+01    0.60000E+01    0.82957E+00
 ARIEXC: peak, lower, upper, distance  124    0.18000E+01    0.38000E+01    0.86911E+00
 ARIEXC: peak, lower, upper, distance  126    0.16000E+01    0.26000E+01    0.91033E+00
 ARIEXC: peak, lower, upper, distance  130    0.20000E+01    0.54000E+01    0.81235E+00
 ARIEXC: peak, lower, upper, distance  131    0.19000E+01    0.41000E+01    0.85136E+00
 ARIEXC: peak, lower, upper, distance  132    0.16000E+01    0.28000E+01    0.91036E+00
 ARIEXC: peak, lower, upper, distance  133    0.20000E+01    0.56000E+01    0.82538E+00
 ARIEXC: peak, lower, upper, distance  134    0.20000E+01    0.60000E+01    0.77401E+00
 ARIEXC: peak, lower, upper, distance  136    0.19000E+01    0.41000E+01    0.83600E+00
 ARIEXC: peak, lower, upper, distance  137    0.20000E+01    0.52000E+01    0.83340E+00
 ARIEXC: peak, lower, upper, distance  139    0.19000E+01    0.47000E+01    0.78276E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.38000E+01    0.83192E+00
 ARIEXC: peak, lower, upper, distance  141    0.18000E+01    0.36000E+01    0.86120E+00
 ARIEXC: peak, lower, upper, distance  142    0.19000E+01    0.43000E+01    0.82899E+00
 ARIEXC: peak, lower, upper, distance  143    0.20000E+01    0.46000E+01    0.83213E+00
 ARIEXC: peak, lower, upper, distance  144    0.18000E+01    0.36000E+01    0.86067E+00
 ARIEXC: peak, lower, upper, distance  145    0.19000E+01    0.51000E+01    0.76882E+00
 ARIEXC: peak, lower, upper, distance  147    0.19000E+01    0.47000E+01    0.87566E+00
 ARIEXC: peak, lower, upper, distance  150    0.15000E+01    0.25000E+01    0.91078E+00
 ARIEXC: peak, lower, upper, distance  151    0.20000E+01    0.54000E+01    0.82815E+00
 ARIEXC: peak, lower, upper, distance  152    0.18000E+01    0.36000E+01    0.87902E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.79731E+00
 ARIEXC: peak, lower, upper, distance  155    0.19000E+01    0.53000E+01    0.81112E+00
 ARIEXC: peak, lower, upper, distance  158    0.20000E+01    0.46000E+01    0.84704E+00
 ARIEXC: peak, lower, upper, distance  163    0.18000E+01    0.38000E+01    0.79652E+00
 ARIEXC: peak, lower, upper, distance  164    0.20000E+01    0.54000E+01    0.84429E+00
 ARIEXC: peak, lower, upper, distance  167    0.16000E+01    0.26000E+01    0.90992E+00
 ARIEXC: peak, lower, upper, distance  172    0.20000E+01    0.54000E+01    0.88823E+00
 ARIEXC: peak, lower, upper, distance  181    0.20000E+01    0.48000E+01    0.80308E+00
 ARIEXC: peak, lower, upper, distance  184    0.20000E+01    0.52000E+01    0.77048E+00
 ARIEXC: peak, lower, upper, distance  186    0.15000E+01    0.27000E+01    0.90999E+00
 ARIEXC: peak, lower, upper, distance  188    0.19000E+01    0.43000E+01    0.83190E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.50000E+01    0.86361E+00
 ARIEXC: peak, lower, upper, distance  190    0.18000E+01    0.36000E+01    0.85182E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.41000E+01    0.79186E+00
 ARIEXC: peak, lower, upper, distance  195    0.14000E+01    0.22000E+01    0.90995E+00
 ARIEXC: peak, lower, upper, distance  197    0.19000E+01    0.43000E+01    0.86308E+00
 ARIEXC: peak, lower, upper, distance  199    0.20000E+01    0.60000E+01    0.87321E+00
 ARIEXC: peak, lower, upper, distance  200    0.20000E+01    0.58000E+01    0.81198E+00
 ARIEXC: peak, lower, upper, distance  201    0.20000E+01    0.54000E+01    0.80829E+00
 ARIEXC: peak, lower, upper, distance  202    0.19000E+01    0.41000E+01    0.81635E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.48000E+01    0.86417E+00
 ARIEXC: peak, lower, upper, distance  204    0.19000E+01    0.39000E+01    0.86762E+00
 ARIEXC: peak, lower, upper, distance  205    0.18000E+01    0.40000E+01    0.83274E+00
 ARIEXC: peak, lower, upper, distance  208    0.19000E+01    0.43000E+01    0.85555E+00
 ARIEXC: peak, lower, upper, distance  209    0.19000E+01    0.41000E+01    0.83284E+00
 ARIEXC: peak, lower, upper, distance  210    0.14000E+01    0.22000E+01    0.91020E+00
 ARIEXC: peak, lower, upper, distance  211    0.19000E+01    0.47000E+01    0.90748E+00
 ARIEXC: peak, lower, upper, distance  212    0.20000E+01    0.52000E+01    0.89605E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.77472E+00
 ARIEXC: peak, lower, upper, distance  220    0.20000E+01    0.46000E+01    0.81903E+00
 ARIEXC: peak, lower, upper, distance  221    0.20000E+01    0.50000E+01    0.81172E+00
 ARIEXC: peak, lower, upper, distance  224    0.19000E+01    0.49000E+01    0.85483E+00
 ARIEXC: peak, lower, upper, distance  228    0.19000E+01    0.47000E+01    0.79961E+00
 ARIEXC: peak, lower, upper, distance  230    0.19000E+01    0.43000E+01    0.85695E+00
 ARIEXC: peak, lower, upper, distance  234    0.20000E+01    0.60000E+01    0.78369E+00
 ARIEXC: peak, lower, upper, distance  235    0.20000E+01    0.48000E+01    0.86276E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.79780E+00
 ARIEXC: peak, lower, upper, distance  239    0.15000E+01    0.23000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  240    0.20000E+01    0.60000E+01    0.79175E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.77962E+00
 ARIEXC: peak, lower, upper, distance  243    0.19000E+01    0.45000E+01    0.79694E+00
 ARIEXC: peak, lower, upper, distance  244    0.19000E+01    0.49000E+01    0.80286E+00
 ARIEXC: peak, lower, upper, distance  245    0.19000E+01    0.60000E+01    0.76461E+00
 ARIEXC: peak, lower, upper, distance  246    0.20000E+01    0.54000E+01    0.84247E+00
 ARIEXC: peak, lower, upper, distance  250    0.19000E+01    0.39000E+01    0.86392E+00
 ARIEXC: peak, lower, upper, distance  251    0.20000E+01    0.60000E+01    0.80609E+00
 ARIEXC: peak, lower, upper, distance  252    0.20000E+01    0.50000E+01    0.81546E+00
 ARIEXC: peak, lower, upper, distance  254    0.19000E+01    0.49000E+01    0.83903E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.58000E+01    0.80893E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.60000E+01    0.79722E+00
 ARIEXC: peak, lower, upper, distance  258    0.20000E+01    0.50000E+01    0.79195E+00
 ARIEXC: peak, lower, upper, distance  259    0.20000E+01    0.60000E+01    0.79808E+00
 ARIEXC: peak, lower, upper, distance  260    0.20000E+01    0.52000E+01    0.83519E+00
 ARIEXC: peak, lower, upper, distance  263    0.19000E+01    0.43000E+01    0.83777E+00
 ARIEXC: peak, lower, upper, distance  264    0.19000E+01    0.57000E+01    0.79507E+00
 ARIEXC: peak, lower, upper, distance  266    0.20000E+01    0.52000E+01    0.87112E+00
 ARIEXC: peak, lower, upper, distance  268    0.20000E+01    0.50000E+01    0.85979E+00
 ARIEXC: peak, lower, upper, distance  269    0.20000E+01    0.60000E+01    0.80499E+00
 ARIEXC: peak, lower, upper, distance  274    0.20000E+01    0.60000E+01    0.80754E+00
 ARIEXC: peak, lower, upper, distance  275    0.20000E+01    0.60000E+01    0.80598E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.45000E+01    0.84797E+00
 ARIEXC: peak, lower, upper, distance  282    0.14000E+01    0.24000E+01    0.90971E+00
 ARIEXC: peak, lower, upper, distance  284    0.18000E+01    0.38000E+01    0.84858E+00
 ARIEXC: peak, lower, upper, distance  285    0.20000E+01    0.60000E+01    0.78645E+00
 ARIEXC: peak, lower, upper, distance  286    0.20000E+01    0.54000E+01    0.82189E+00
 ARIEXC: peak, lower, upper, distance  287    0.20000E+01    0.54000E+01    0.84532E+00
 ARIEXC: peak, lower, upper, distance  290    0.19000E+01    0.43000E+01    0.87034E+00
 ARIEXC: peak, lower, upper, distance  291    0.17000E+01    0.33000E+01    0.84758E+00
 ARIEXC: peak, lower, upper, distance  292    0.19000E+01    0.45000E+01    0.83982E+00
 ARIEXC: peak, lower, upper, distance  294    0.19000E+01    0.47000E+01    0.87307E+00
 ARIEXC: peak, lower, upper, distance  300    0.20000E+01    0.48000E+01    0.82651E+00
 ARIEXC: peak, lower, upper, distance  308    0.19000E+01    0.39000E+01    0.86864E+00
 ARIEXC: peak, lower, upper, distance  309    0.19000E+01    0.45000E+01    0.84783E+00
 ARIEXC: peak, lower, upper, distance  310    0.19000E+01    0.39000E+01    0.86948E+00
 ARIEXC: peak, lower, upper, distance  311    0.20000E+01    0.54000E+01    0.83315E+00
 ARIEXC: peak, lower, upper, distance  313    0.19000E+01    0.43000E+01    0.83289E+00
 ARIEXC: peak, lower, upper, distance  314    0.16000E+01    0.26000E+01    0.90893E+00
 ARIEXC: peak, lower, upper, distance  316    0.20000E+01    0.50000E+01    0.77124E+00
 ARIEXC: peak, lower, upper, distance  327    0.20000E+01    0.56000E+01    0.78325E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.51000E+01    0.80105E+00
 ARIEXC: peak, lower, upper, distance  331    0.16000E+01    0.30000E+01    0.86573E+00
 ARIEXC: peak, lower, upper, distance  332    0.15000E+01    0.25000E+01    0.85541E+00
 ARIEXC: peak, lower, upper, distance  333    0.18000E+01    0.36000E+01    0.83220E+00
 ARIEXC: peak, lower, upper, distance  334    0.18000E+01    0.38000E+01    0.83363E+00
 ARIEXC: peak, lower, upper, distance  337    0.19000E+01    0.37000E+01    0.83292E+00
 ARIEXC: peak, lower, upper, distance  339    0.19000E+01    0.43000E+01    0.89963E+00
 ARIEXC: peak, lower, upper, distance  340    0.19000E+01    0.43000E+01    0.84078E+00
 ARIEXC: peak, lower, upper, distance  342    0.20000E+01    0.56000E+01    0.81910E+00
 ARIEXC: peak, lower, upper, distance  343    0.18000E+01    0.38000E+01    0.85561E+00
 ARIEXC: peak, lower, upper, distance  348    0.19000E+01    0.47000E+01    0.80650E+00
 ARIEXC: peak, lower, upper, distance  353    0.19000E+01    0.45000E+01    0.85629E+00
 ARIEXC: peak, lower, upper, distance  358    0.19000E+01    0.43000E+01    0.83460E+00
 ARIEXC: peak, lower, upper, distance  359    0.18000E+01    0.38000E+01    0.85411E+00
 ARIEXC: peak, lower, upper, distance  360    0.15000E+01    0.25000E+01    0.90986E+00
 ARIEXC: peak, lower, upper, distance  365    0.20000E+01    0.58000E+01    0.81453E+00
 ARIEXC: peak, lower, upper, distance  367    0.20000E+01    0.54000E+01    0.83305E+00
 ARIEXC: peak, lower, upper, distance  370    0.17000E+01    0.33000E+01    0.84751E+00
 ARIEXC: peak, lower, upper, distance  371    0.18000E+01    0.36000E+01    0.79963E+00
 ARIEXC: peak, lower, upper, distance  372    0.18000E+01    0.36000E+01    0.83334E+00
 ARIEXC: peak, lower, upper, distance  373    0.20000E+01    0.52000E+01    0.77462E+00
 ARIEXC: peak, lower, upper, distance  377    0.20000E+01    0.54000E+01    0.77183E+00
 ARIEXC: peak, lower, upper, distance  382    0.17000E+01    0.31000E+01    0.85535E+00
 ARIEXC: peak, lower, upper, distance  389    0.16000E+01    0.28000E+01    0.85535E+00
 ARIEXC: peak, lower, upper, distance  390    0.20000E+01    0.50000E+01    0.76283E+00
 ARIEXC: peak, lower, upper, distance  392    0.20000E+01    0.46000E+01    0.83822E+00
 ARIEXC: peak, lower, upper, distance  396    0.20000E+01    0.52000E+01    0.78121E+00
 ARIEXC: peak, lower, upper, distance  398    0.18000E+01    0.36000E+01    0.85480E+00
 ARIEXC: peak, lower, upper, distance  402    0.19000E+01    0.53000E+01    0.79952E+00
 ARIEXC: peak, lower, upper, distance  404    0.17000E+01    0.31000E+01    0.85482E+00
 ARIEXC: peak, lower, upper, distance  406    0.20000E+01    0.56000E+01    0.81435E+00
 ARIEXC: peak, lower, upper, distance  407    0.20000E+01    0.56000E+01    0.81305E+00
 ARIEXC: peak, lower, upper, distance  412    0.20000E+01    0.60000E+01    0.79145E+00
 ARIEXC: peak, lower, upper, distance  413    0.20000E+01    0.54000E+01    0.79578E+00
 ARIEXC: peak, lower, upper, distance  415    0.20000E+01    0.58000E+01    0.83641E+00
 ARIEXC: peak, lower, upper, distance  416    0.20000E+01    0.60000E+01    0.76787E+00
 ARIEXC: peak, lower, upper, distance  417    0.20000E+01    0.50000E+01    0.83539E+00
 ARIEXC: peak, lower, upper, distance  419    0.18000E+01    0.36000E+01    0.85880E+00
 ARIEXC: peak, lower, upper, distance  420    0.20000E+01    0.60000E+01    0.74167E+00
 ARIEXC: peak, lower, upper, distance  433    0.20000E+01    0.60000E+01    0.78193E+00
 ARIEXC: peak, lower, upper, distance  435    0.19000E+01    0.60000E+01    0.76572E+00
 ARIEXC: peak, lower, upper, distance  439    0.20000E+01    0.56000E+01    0.75095E+00
 ARIEXC: peak, lower, upper, distance  440    0.19000E+01    0.45000E+01    0.83888E+00
 ARIEXC: peak, lower, upper, distance  441    0.20000E+01    0.60000E+01    0.81983E+00
 ARIEXC: peak, lower, upper, distance  442    0.20000E+01    0.52000E+01    0.83254E+00
 ARIEXC: peak, lower, upper, distance  445    0.20000E+01    0.52000E+01    0.83150E+00
 ARIEXC: peak, lower, upper, distance  446    0.17000E+01    0.35000E+01    0.85916E+00
 ARIEXC: peak, lower, upper, distance  447    0.20000E+01    0.54000E+01    0.84007E+00
 ARIEXC: peak, lower, upper, distance  448    0.19000E+01    0.60000E+01    0.78804E+00
 ARIEXC: peak, lower, upper, distance  451    0.20000E+01    0.60000E+01    0.82643E+00
 ARIEXC: peak, lower, upper, distance  452    0.19000E+01    0.60000E+01    0.77053E+00
 ARIEXC: peak, lower, upper, distance  453    0.20000E+01    0.60000E+01    0.77927E+00
 ARIEXC: peak, lower, upper, distance  454    0.20000E+01    0.60000E+01    0.73189E+00
 ARIEXC: peak, lower, upper, distance  461    0.20000E+01    0.50000E+01    0.85558E+00
 ARIEXC: peak, lower, upper, distance  462    0.19000E+01    0.43000E+01    0.83160E+00
 ARIEXC: peak, lower, upper, distance  463    0.19000E+01    0.47000E+01    0.83220E+00
 ARIEXC: peak, lower, upper, distance  464    0.20000E+01    0.60000E+01    0.77383E+00
 ARIEXC: peak, lower, upper, distance  465    0.18000E+01    0.38000E+01    0.85808E+00
 ARIEXC: peak, lower, upper, distance  472    0.19000E+01    0.49000E+01    0.83591E+00
 ARIEXC: peak, lower, upper, distance  474    0.20000E+01    0.56000E+01    0.80435E+00
 ARIEXC: peak, lower, upper, distance  477    0.19000E+01    0.41000E+01    0.83553E+00
 ARIEXC: peak, lower, upper, distance  478    0.19000E+01    0.41000E+01    0.80004E+00
 ARIEXC: peak, lower, upper, distance  479    0.18000E+01    0.40000E+01    0.83693E+00
 ARIEXC: peak, lower, upper, distance  480    0.14000E+01    0.22000E+01    0.90874E+00
 ARIEXC: peak, lower, upper, distance  483    0.19000E+01    0.37000E+01    0.86965E+00
 ARIEXC: peak, lower, upper, distance  484    0.20000E+01    0.60000E+01    0.79762E+00
 ARIEXC: peak, lower, upper, distance  488    0.20000E+01    0.56000E+01    0.74173E+00
 ARIEXC: peak, lower, upper, distance  489    0.20000E+01    0.54000E+01    0.75481E+00
 ARIEXC: peak, lower, upper, distance  490    0.19000E+01    0.60000E+01    0.81635E+00
 ARIEXC: peak, lower, upper, distance  491    0.19000E+01    0.43000E+01    0.87214E+00
 ARIEXC: peak, lower, upper, distance  492    0.19000E+01    0.60000E+01    0.81206E+00
 ARIEXC: peak, lower, upper, distance  494    0.15000E+01    0.60000E+01    0.74133E+00
 ARIEXC: peak, lower, upper, distance  496    0.19000E+01    0.39000E+01    0.83208E+00
 ARIEXC: peak, lower, upper, distance  497    0.18000E+01    0.36000E+01    0.80649E+00
 ARIEXC: peak, lower, upper, distance  504    0.20000E+01    0.60000E+01    0.82292E+00
 ARIEXC: peak, lower, upper, distance  505    0.19000E+01    0.60000E+01    0.74204E+00
 ARIEXC: peak, lower, upper, distance  507    0.19000E+01    0.49000E+01    0.83200E+00
 ARIEXC: peak, lower, upper, distance  520    0.20000E+01    0.60000E+01    0.74762E+00
 ARIEXC: peak, lower, upper, distance  526    0.20000E+01    0.60000E+01    0.77316E+00
 ARIEXC: peak, lower, upper, distance  531    0.20000E+01    0.60000E+01    0.72935E+00
 ARIEXC: peak, lower, upper, distance  532    0.20000E+01    0.60000E+01    0.79922E+00
 ARIEXC: peak, lower, upper, distance  536    0.20000E+01    0.60000E+01    0.79165E+00
 ARIEXC: peak, lower, upper, distance  539    0.20000E+01    0.52000E+01    0.80445E+00
 ARIEXC: peak, lower, upper, distance  545    0.19000E+01    0.51000E+01    0.80466E+00
 ARIEXC: peak, lower, upper, distance  547    0.19000E+01    0.60000E+01    0.74931E+00
 ARIEXC: peak, lower, upper, distance  550    0.19000E+01    0.60000E+01    0.79729E+00
 ARIEXC: peak, lower, upper, distance  551    0.20000E+01    0.52000E+01    0.83688E+00
 ARIEXC: peak, lower, upper, distance  552    0.19000E+01    0.60000E+01    0.77441E+00
 ARIEXC: peak, lower, upper, distance  556    0.15000E+01    0.23000E+01    0.90946E+00
 ARIEXC: peak, lower, upper, distance  560    0.20000E+01    0.52000E+01    0.81228E+00
 ARIEXC: peak, lower, upper, distance  565    0.18000E+01    0.38000E+01    0.83212E+00
 ARIEXC: peak, lower, upper, distance  567    0.20000E+01    0.52000E+01    0.83804E+00
 ARIEXC: peak, lower, upper, distance  568    0.14000E+01    0.24000E+01    0.91008E+00
 ARIEXC: peak, lower, upper, distance  571    0.19000E+01    0.49000E+01    0.85812E+00
 ARIEXC: peak, lower, upper, distance  572    0.19000E+01    0.60000E+01    0.78591E+00
 ARIEXC: peak, lower, upper, distance  579    0.20000E+01    0.52000E+01    0.86798E+00
 ARIEXC: peak, lower, upper, distance  580    0.20000E+01    0.58000E+01    0.81211E+00
 ARIEXC: peak, lower, upper, distance  581    0.19000E+01    0.45000E+01    0.80613E+00
 ARIEXC: peak, lower, upper, distance  587    0.19000E+01    0.47000E+01    0.85142E+00
 ARIEXC: peak, lower, upper, distance  593    0.20000E+01    0.58000E+01    0.86250E+00
 ARIEXC: peak, lower, upper, distance  594    0.19000E+01    0.43000E+01    0.85565E+00
 ARIEXC: peak, lower, upper, distance  595    0.19000E+01    0.60000E+01    0.81206E+00
 ARIEXC: peak, lower, upper, distance  596    0.20000E+01    0.58000E+01    0.79420E+00
 ARIEXC: peak, lower, upper, distance  605    0.17000E+01    0.60000E+01    0.85087E+00
 ARIEXC: peak, lower, upper, distance  609    0.19000E+01    0.51000E+01    0.78334E+00
 ARIEXC: peak, lower, upper, distance  618    0.20000E+01    0.56000E+01    0.71860E+00
 ARIEXC: peak, lower, upper, distance  619    0.20000E+01    0.56000E+01    0.83857E+00
 ARIEXC: peak, lower, upper, distance  623    0.20000E+01    0.60000E+01    0.73376E+00
 ARIEXC: peak, lower, upper, distance  625    0.20000E+01    0.58000E+01    0.82618E+00
 ARIEXC: peak, lower, upper, distance  640    0.20000E+01    0.60000E+01    0.76732E+00
 ARIEXC: peak, lower, upper, distance  642    0.20000E+01    0.56000E+01    0.81588E+00
 ARIEXC: peak, lower, upper, distance  643    0.18000E+01    0.38000E+01    0.83429E+00
 ARIEXC: peak, lower, upper, distance  644    0.18000E+01    0.42000E+01    0.87291E+00
 ARIEXC: peak, lower, upper, distance  645    0.14000E+01    0.24000E+01    0.91011E+00
 ARIEXC: peak, lower, upper, distance  648    0.20000E+01    0.58000E+01    0.83783E+00
 ARIEXC: peak, lower, upper, distance  653    0.20000E+01    0.60000E+01    0.78626E+00
 ARIEXC: peak, lower, upper, distance  654    0.20000E+01    0.54000E+01    0.86593E+00
 ARIEXC: peak, lower, upper, distance  657    0.20000E+01    0.54000E+01    0.75558E+00
 ARIEXC: peak, lower, upper, distance  658    0.20000E+01    0.60000E+01    0.83044E+00
 ARIEXC: peak, lower, upper, distance  665    0.20000E+01    0.58000E+01    0.72756E+00
 ARIEXC: peak, lower, upper, distance  666    0.20000E+01    0.56000E+01    0.73698E+00
 ARIEXC: peak, lower, upper, distance  669    0.19000E+01    0.45000E+01    0.83709E+00
 ARIEXC: peak, lower, upper, distance  671    0.20000E+01    0.60000E+01    0.76397E+00
 ARIEXC: peak, lower, upper, distance  673    0.20000E+01    0.60000E+01    0.79156E+00
 ARIEXC: peak, lower, upper, distance  676    0.20000E+01    0.54000E+01    0.77806E+00
 ARIEXC: peak, lower, upper, distance  678    0.20000E+01    0.54000E+01    0.79052E+00
 ARIEXC: peak, lower, upper, distance  680    0.19000E+01    0.60000E+01    0.77528E+00
 ARIEXC: peak, lower, upper, distance  681    0.19000E+01    0.60000E+01    0.76577E+00
 ARIEXC: peak, lower, upper, distance  688    0.18000E+01    0.38000E+01    0.87646E+00
 ARIEXC: peak, lower, upper, distance  690    0.19000E+01    0.39000E+01    0.83159E+00
 ARIEXC: peak, lower, upper, distance  694    0.20000E+01    0.54000E+01    0.85942E+00
 ARIEXC: peak, lower, upper, distance  695    0.19000E+01    0.43000E+01    0.86049E+00
 ARIEXC: peak, lower, upper, distance  696    0.20000E+01    0.60000E+01    0.78860E+00
 ARIEXC: peak, lower, upper, distance  703    0.20000E+01    0.50000E+01    0.84946E+00
 ARIEXC: peak, lower, upper, distance  710    0.19000E+01    0.60000E+01    0.79170E+00
 ARIEXC: peak, lower, upper, distance  712    0.20000E+01    0.50000E+01    0.85961E+00
 ARIEXC: peak, lower, upper, distance  713    0.20000E+01    0.60000E+01    0.79441E+00
 ARIEXC: peak, lower, upper, distance  717    0.19000E+01    0.60000E+01    0.78896E+00
 ARIEXC: peak, lower, upper, distance  724    0.20000E+01    0.60000E+01    0.80481E+00
 ARIEXC: peak, lower, upper, distance  735    0.19000E+01    0.60000E+01    0.77236E+00
 ARIEXC: peak, lower, upper, distance 2770    0.15000E+01    0.23000E+01    0.87320E+00
 ARIEXC: peak, lower, upper, distance 3870    0.18000E+01    0.42000E+01    0.77385E+00
 ARIEXC: peak, lower, upper, distance 4160    0.18000E+01    0.40000E+01    0.78297E+00
 ARIEXC: peak, lower, upper, distance 5410    0.19000E+01    0.49000E+01    0.86776E+00
 ARIEXC: peak, lower, upper, distance 5720    0.20000E+01    0.50000E+01    0.76581E+00
 ARIEXC: peak, lower, upper, distance    2    0.19000E+01    0.51000E+01    0.75196E+00
 ARIEXC: peak, lower, upper, distance    6    0.19000E+01    0.60000E+01    0.74611E+00
 ARIEXC: peak, lower, upper, distance    8    0.20000E+01    0.60000E+01    0.81084E+00
 ARIEXC: peak, lower, upper, distance    9    0.19000E+01    0.51000E+01    0.85427E+00
 ARIEXC: peak, lower, upper, distance   19    0.19000E+01    0.47000E+01    0.82665E+00
 ARIEXC: peak, lower, upper, distance   20    0.18000E+01    0.36000E+01    0.87225E+00
 ARIEXC: peak, lower, upper, distance   23    0.19000E+01    0.49000E+01    0.82643E+00
 ARIEXC: peak, lower, upper, distance   28    0.20000E+01    0.52000E+01    0.84382E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.60000E+01    0.78167E+00
 ARIEXC: peak, lower, upper, distance   47    0.19000E+01    0.45000E+01    0.78688E+00
 ARIEXC: peak, lower, upper, distance   48    0.16000E+01    0.28000E+01    0.87748E+00
 ARIEXC: peak, lower, upper, distance   49    0.19000E+01    0.41000E+01    0.83569E+00
 ARIEXC: peak, lower, upper, distance   50    0.19000E+01    0.47000E+01    0.79266E+00
 ARIEXC: peak, lower, upper, distance   52    0.20000E+01    0.50000E+01    0.77183E+00
 ARIEXC: peak, lower, upper, distance   53    0.19000E+01    0.41000E+01    0.80627E+00
 ARIEXC: peak, lower, upper, distance   70    0.18000E+01    0.38000E+01    0.84322E+00
 ARIEXC: peak, lower, upper, distance   71    0.20000E+01    0.56000E+01    0.80352E+00
 ARIEXC: peak, lower, upper, distance   90    0.19000E+01    0.47000E+01    0.81131E+00
 ARIEXC: peak, lower, upper, distance   94    0.16000E+01    0.28000E+01    0.87433E+00
 ARIEXC: peak, lower, upper, distance  100    0.19000E+01    0.49000E+01    0.82292E+00
 ARIEXC: peak, lower, upper, distance  101    0.19000E+01    0.60000E+01    0.83044E+00
 ARIEXC: peak, lower, upper, distance  104    0.19000E+01    0.41000E+01    0.83553E+00
 ARIEXC: peak, lower, upper, distance  105    0.18000E+01    0.36000E+01    0.87214E+00
 ARIEXC: peak, lower, upper, distance  106    0.19000E+01    0.41000E+01    0.80675E+00
 ARIEXC: peak, lower, upper, distance  107    0.20000E+01    0.60000E+01    0.78325E+00
 ARIEXC: peak, lower, upper, distance  112    0.19000E+01    0.39000E+01    0.85026E+00
 ARIEXC: peak, lower, upper, distance  127    0.19000E+01    0.45000E+01    0.82991E+00
 ARIEXC: peak, lower, upper, distance  128    0.17000E+01    0.29000E+01    0.87220E+00
 ARIEXC: peak, lower, upper, distance  129    0.20000E+01    0.54000E+01    0.81274E+00
 ARIEXC: peak, lower, upper, distance  131    0.20000E+01    0.58000E+01    0.79127E+00
 ARIEXC: peak, lower, upper, distance  132    0.20000E+01    0.50000E+01    0.85186E+00
 ARIEXC: peak, lower, upper, distance  135    0.18000E+01    0.38000E+01    0.83553E+00
 ARIEXC: peak, lower, upper, distance  136    0.18000E+01    0.38000E+01    0.85979E+00
 ARIEXC: peak, lower, upper, distance  137    0.19000E+01    0.45000E+01    0.80499E+00
 ARIEXC: peak, lower, upper, distance  138    0.20000E+01    0.54000E+01    0.78672E+00
 ARIEXC: peak, lower, upper, distance  139    0.20000E+01    0.48000E+01    0.80308E+00
 ARIEXC: peak, lower, upper, distance  140    0.18000E+01    0.34000E+01    0.84078E+00
 ARIEXC: peak, lower, upper, distance  148    0.19000E+01    0.41000E+01    0.86656E+00
 ARIEXC: peak, lower, upper, distance  149    0.20000E+01    0.50000E+01    0.81923E+00
 ARIEXC: peak, lower, upper, distance  150    0.20000E+01    0.50000E+01    0.80609E+00
 ARIEXC: peak, lower, upper, distance  152    0.20000E+01    0.60000E+01    0.75819E+00
 ARIEXC: peak, lower, upper, distance  154    0.20000E+01    0.50000E+01    0.82188E+00
 ARIEXC: peak, lower, upper, distance  155    0.20000E+01    0.54000E+01    0.77731E+00
 ARIEXC: peak, lower, upper, distance  171    0.20000E+01    0.52000E+01    0.80707E+00
 ARIEXC: peak, lower, upper, distance  172    0.17000E+01    0.33000E+01    0.85647E+00
 ARIEXC: peak, lower, upper, distance  173    0.19000E+01    0.41000E+01    0.78713E+00
 ARIEXC: peak, lower, upper, distance  176    0.19000E+01    0.41000E+01    0.84165E+00
 ARIEXC: peak, lower, upper, distance  177    0.19000E+01    0.43000E+01    0.81983E+00
 ARIEXC: peak, lower, upper, distance  178    0.17000E+01    0.33000E+01    0.85182E+00
 ARIEXC: peak, lower, upper, distance  179    0.19000E+01    0.49000E+01    0.80829E+00
 ARIEXC: peak, lower, upper, distance  185    0.20000E+01    0.60000E+01    0.78581E+00
 ARIEXC: peak, lower, upper, distance  186    0.20000E+01    0.60000E+01    0.78039E+00
 ARIEXC: peak, lower, upper, distance  187    0.18000E+01    0.40000E+01    0.83613E+00
 ARIEXC: peak, lower, upper, distance  188    0.16000E+01    0.30000E+01    0.84375E+00
 ARIEXC: peak, lower, upper, distance  189    0.20000E+01    0.54000E+01    0.81551E+00
 ARIEXC: peak, lower, upper, distance  190    0.17000E+01    0.31000E+01    0.81635E+00
 ARIEXC: peak, lower, upper, distance  191    0.19000E+01    0.47000E+01    0.80445E+00
 ARIEXC: peak, lower, upper, distance  192    0.18000E+01    0.38000E+01    0.90748E+00
 ARIEXC: peak, lower, upper, distance  194    0.18000E+01    0.38000E+01    0.83776E+00
 ARIEXC: peak, lower, upper, distance  197    0.20000E+01    0.52000E+01    0.77462E+00
 ARIEXC: peak, lower, upper, distance  203    0.20000E+01    0.46000E+01    0.80829E+00
 ARIEXC: peak, lower, upper, distance  204    0.20000E+01    0.48000E+01    0.80059E+00
 ARIEXC: peak, lower, upper, distance  210    0.18000E+01    0.34000E+01    0.84499E+00
 ARIEXC: peak, lower, upper, distance  213    0.20000E+01    0.56000E+01    0.80929E+00
 ARIEXC: peak, lower, upper, distance  214    0.19000E+01    0.47000E+01    0.83517E+00
 ARIEXC: peak, lower, upper, distance  215    0.20000E+01    0.54000E+01    0.80849E+00
 ARIEXC: peak, lower, upper, distance  216    0.20000E+01    0.52000E+01    0.85178E+00
 ARIEXC: peak, lower, upper, distance  222    0.18000E+01    0.34000E+01    0.83600E+00
 ARIEXC: peak, lower, upper, distance  223    0.20000E+01    0.60000E+01    0.76698E+00
 ARIEXC: peak, lower, upper, distance  225    0.18000E+01    0.34000E+01    0.85136E+00
 ARIEXC: peak, lower, upper, distance  232    0.18000E+01    0.36000E+01    0.83040E+00
 ARIEXC: peak, lower, upper, distance  233    0.19000E+01    0.49000E+01    0.80381E+00
 ARIEXC: peak, lower, upper, distance  236    0.20000E+01    0.60000E+01    0.74937E+00
 ARIEXC: peak, lower, upper, distance  239    0.20000E+01    0.60000E+01    0.81435E+00
 ARIEXC: peak, lower, upper, distance  241    0.20000E+01    0.60000E+01    0.78402E+00
 ARIEXC: peak, lower, upper, distance  242    0.20000E+01    0.60000E+01    0.82749E+00
 ARIEXC: peak, lower, upper, distance  243    0.20000E+01    0.60000E+01    0.88583E+00
 ARIEXC: peak, lower, upper, distance  244    0.20000E+01    0.60000E+01    0.79961E+00
 ARIEXC: peak, lower, upper, distance  245    0.20000E+01    0.50000E+01    0.80730E+00
 ARIEXC: peak, lower, upper, distance  253    0.19000E+01    0.60000E+01    0.78077E+00
 ARIEXC: peak, lower, upper, distance  254    0.20000E+01    0.56000E+01    0.76110E+00
 ARIEXC: peak, lower, upper, distance  255    0.20000E+01    0.60000E+01    0.81305E+00
 ARIEXC: peak, lower, upper, distance  256    0.19000E+01    0.60000E+01    0.76736E+00
 ARIEXC: peak, lower, upper, distance  257    0.20000E+01    0.58000E+01    0.78934E+00
 ARIEXC: peak, lower, upper, distance  258    0.19000E+01    0.60000E+01    0.78465E+00
 ARIEXC: peak, lower, upper, distance  259    0.19000E+01    0.60000E+01    0.74676E+00
 ARIEXC: peak, lower, upper, distance  262    0.18000E+01    0.60000E+01    0.74230E+00
 ARIEXC: peak, lower, upper, distance  270    0.20000E+01    0.60000E+01    0.81235E+00
 ARIEXC: peak, lower, upper, distance  275    0.19000E+01    0.60000E+01    0.78274E+00
 ARIEXC: peak, lower, upper, distance  276    0.20000E+01    0.56000E+01    0.86361E+00
 ARIEXC: peak, lower, upper, distance  277    0.19000E+01    0.55000E+01    0.83857E+00
 ARIEXC: peak, lower, upper, distance  278    0.19000E+01    0.60000E+01    0.76477E+00
 ARIEXC: peak, lower, upper, distance  284    0.20000E+01    0.50000E+01    0.76196E+00
 ARIEXC: peak, lower, upper, distance  289    0.20000E+01    0.60000E+01    0.76364E+00
 ARIEXC: peak, lower, upper, distance  291    0.20000E+01    0.60000E+01    0.82743E+00
 ARIEXC: peak, lower, upper, distance  292    0.20000E+01    0.56000E+01    0.81772E+00
 ARIEXC: peak, lower, upper, distance  295    0.19000E+01    0.60000E+01    0.76244E+00
 ARIEXC: peak, lower, upper, distance  298    0.17000E+01    0.31000E+01    0.87056E+00
 ARIEXC: peak, lower, upper, distance  299    0.19000E+01    0.39000E+01    0.86644E+00
 ARIEXC: peak, lower, upper, distance  301    0.19000E+01    0.47000E+01    0.87967E+00
 ARIEXC: peak, lower, upper, distance  302    0.20000E+01    0.56000E+01    0.81601E+00
 ARIEXC: peak, lower, upper, distance  303    0.19000E+01    0.60000E+01    0.74442E+00
 ARIEXC: peak, lower, upper, distance  305    0.20000E+01    0.60000E+01    0.87208E+00
 ARIEXC: peak, lower, upper, distance  315    0.20000E+01    0.58000E+01    0.74575E+00
 ARIEXC: peak, lower, upper, distance  318    0.20000E+01    0.60000E+01    0.80325E+00
 ARIEXC: peak, lower, upper, distance  320    0.19000E+01    0.60000E+01    0.75696E+00
 ARIEXC: peak, lower, upper, distance  328    0.19000E+01    0.60000E+01    0.83641E+00
 ARIEXC: peak, lower, upper, distance  330    0.19000E+01    0.60000E+01    0.76467E+00
 ARIEXC: peak, lower, upper, distance  335    0.19000E+01    0.60000E+01    0.78951E+00
 ARIEXC: peak, lower, upper, distance  336    0.20000E+01    0.60000E+01    0.79101E+00
 ARIEXC: peak, lower, upper, distance  346    0.18000E+01    0.60000E+01    0.78493E+00
 ARIEXC: peak, lower, upper, distance  356    0.20000E+01    0.60000E+01    0.83286E+00
 ARIEXC: peak, lower, upper, distance  357    0.20000E+01    0.60000E+01    0.81816E+00
 ARIEXC: peak, lower, upper, distance  359    0.19000E+01    0.60000E+01    0.77243E+00
 ARIEXC: peak, lower, upper, distance  360    0.20000E+01    0.58000E+01    0.89221E+00
 ARIEXC: peak, lower, upper, distance 3100    0.20000E+01    0.60000E+01    0.78905E+00
 ARIEXC: peak, lower, upper, distance 2830    0.90000E+00    0.60000E+01    0.74324E+00
 ARIEXC: peak, lower, upper, distance 2840    0.19000E+01    0.47000E+01    0.75372E+00
 ARIEXC: peak, lower, upper, distance    1    0.18000E+01    0.40000E+01    0.86092E+00
 ARIEXC: peak, lower, upper, distance    4    0.17000E+01    0.33000E+01    0.86177E+00
 ARIEXC: peak, lower, upper, distance   13    0.20000E+01    0.54000E+01    0.81126E+00
 ARIEXC: peak, lower, upper, distance   28    0.19000E+01    0.45000E+01    0.85427E+00
 ARIEXC: peak, lower, upper, distance   31    0.20000E+01    0.52000E+01    0.85570E+00
 ARIEXC: peak, lower, upper, distance   32    0.19000E+01    0.43000E+01    0.85427E+00
 ARIEXC: peak, lower, upper, distance   33    0.20000E+01    0.54000E+01    0.85861E+00
 ARIEXC: peak, lower, upper, distance   34    0.20000E+01    0.46000E+01    0.83686E+00
 ARIEXC: peak, lower, upper, distance   35    0.20000E+01    0.46000E+01    0.85812E+00
 ARIEXC: peak, lower, upper, distance   36    0.19000E+01    0.60000E+01    0.78645E+00
 ARIEXC: peak, lower, upper, distance   37    0.20000E+01    0.46000E+01    0.79247E+00
 ARIEXC: peak, lower, upper, distance   38    0.20000E+01    0.58000E+01    0.79769E+00
 ARIEXC: peak, lower, upper, distance   41    0.19000E+01    0.47000E+01    0.86190E+00
 ARIEXC: peak, lower, upper, distance   43    0.19000E+01    0.49000E+01    0.75954E+00
 ARIEXC: peak, lower, upper, distance   44    0.19000E+01    0.53000E+01    0.76862E+00
 ARIEXC: peak, lower, upper, distance   49    0.20000E+01    0.60000E+01    0.77562E+00
 ARIEXC: peak, lower, upper, distance   57    0.20000E+01    0.50000E+01    0.77265E+00
 ARIEXC: peak, lower, upper, distance   58    0.19000E+01    0.41000E+01    0.86065E+00
 ARIEXC: peak, lower, upper, distance   62    0.20000E+01    0.56000E+01    0.76254E+00
 ARIEXC: peak, lower, upper, distance   63    0.19000E+01    0.49000E+01    0.81294E+00
 ARIEXC: peak, lower, upper, distance   64    0.20000E+01    0.50000E+01    0.84797E+00
 ARIEXC: peak, lower, upper, distance   66    0.20000E+01    0.60000E+01    0.80598E+00
 ARIEXC: peak, lower, upper, distance   67    0.20000E+01    0.56000E+01    0.77723E+00
 ARIEXC: peak, lower, upper, distance   75    0.20000E+01    0.54000E+01    0.76412E+00
 ARIEXC: peak, lower, upper, distance   76    0.17000E+01    0.29000E+01    0.84479E+00
 ARIEXC: peak, lower, upper, distance   79    0.20000E+01    0.60000E+01    0.87472E+00
 ARIEXC: peak, lower, upper, distance   84    0.20000E+01    0.54000E+01    0.79146E+00
 ARIEXC: peak, lower, upper, distance  970    0.18000E+01    0.38000E+01    0.86261E+00
 COUNTV:  456 violations above         0.10000
 ARIA>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 NEXTCD: condition evaluated as true
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/wwsp2_15_148.float opened.
 ARIA> REVE ((segid "A   " and resid 1    and name HA1 ) OR   ( segid "A   " and resid 1    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 4    and name HB1 ) OR   ( segid "A   " and resid 4    and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 5    and name HA1 ) OR   ( segid "A   " and resid 5    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 6    and name HD11) OR   ( segid "A   " and resid 6    and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 7    and name HG1 ) OR   ( segid "A   " and resid 7    and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 9    and name HA1 ) OR   ( segid "A   " and resid 9    and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 12   and name HG1 ) OR   ( segid "A   " and resid 12   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 13   and name HB1 ) OR   ( segid "A   " and resid 13   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HB1 ) OR   ( segid "A   " and resid 14   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HG1 ) OR   ( segid "A   " and resid 14   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 14   and name HE21) OR   ( segid "A   " and resid 14   and name HE22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 15   and name HB1 ) OR   ( segid "A   " and resid 15   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 17   and name HD1 ) OR   ( segid "A   " and resid 17   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HB1 ) OR   ( segid "A   " and resid 19   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HD1 ) OR   ( segid "A   " and resid 19   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 19   and name HH21) OR   ( segid "A   " and resid 19   and name HH22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 21   and name HB1 ) OR   ( segid "A   " and resid 21   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 22   and name HB1 ) OR   ( segid "A   " and resid 22   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 26   and name HD21) OR   ( segid "A   " and resid 26   and name HD22)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 27   and name HB1 ) OR   ( segid "A   " and resid 27   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 28   and name HD1 ) OR   ( segid "A   " and resid 28   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 32   and name HB1 ) OR   ( segid "A   " and resid 32   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 34   and name HD1 ) OR   ( segid "A   " and resid 34   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HG1 ) OR   ( segid "A   " and resid 35   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 35   and name HD1 ) OR   ( segid "A   " and resid 35   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 37   and name HB1 ) OR   ( segid "A   " and resid 37   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 38   and name HG1 ) OR   ( segid "A   " and resid 38   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "A   " and resid 39   and name HB1 ) OR   ( segid "A   " and resid 39   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HG1 ) OR   ( segid "B   " and resid 41   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 41   and name HD1 ) OR   ( segid "B   " and resid 41   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 42   and name HB1 ) OR   ( segid "B   " and resid 42   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HB1 ) OR   ( segid "B   " and resid 45   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 45   and name HG1 ) OR   ( segid "B   " and resid 45   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 47   and name HG1 ) OR   ( segid "B   " and resid 47   and name HG2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HB1 ) OR   ( segid "B   " and resid 48   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 48   and name HD1 ) OR   ( segid "B   " and resid 48   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 49   and name HA1 ) OR   ( segid "B   " and resid 49   and name HA2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 50   and name HB1 ) OR   ( segid "B   " and resid 50   and name HB2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 51   and name HD1 ) OR   ( segid "B   " and resid 51   and name HD2 )) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 52   and name HD11) OR   ( segid "B   " and resid 52   and name HD21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> REVE ((segid "B   " and resid 53   and name HG11) OR   ( segid "B   " and resid 53   and name HG21)) 
 SELRPN:      2 atoms have been selected out of    811
 ARIA> end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 EVALUATE: symbol $COUNT set to    21.0000     (real)
 CNSsolve>end loop main 
 CNSsolve>while ($count le $Iterations.Assignstruct) loop main 
 NEXTCD: condition evaluated as false
 CNSsolve>   evaluate ($file = $filenames.bestfile_$count) 
 CNSsolve>   display $file 
 CNSsolve>   coor init end 
 CNSsolve>   if ($file ne "") then 
 CNSsolve>      coor @@$file 
 CNSsolve>      eval ($floatfile = $file - ".pdb" + ".float") 
 CNSsolve>      fileexist $floatfile end  eval ($qfloatfile = $result) 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 CNSsolve>      aria 
 CNSsolve>         analyse_restraints aver end 
 CNSsolve>         countvio threshold $Iterations.violtoler end 
 CNSsolve>      end 
 CNSsolve>      if ($qfloatfile eq true) then aria @@$floatfile end end if 
 CNSsolve>   end if 
 CNSsolve>   evaluate ($count=$count+1) 
 CNSsolve>end loop main 
 CNSsolve> 
 CNSsolve>! list violated restraints 
 CNSsolve>aria countvio list DIST $Iterations.violratio end end 
 CNSsolve>! compare noe tables and remove double entries 
 CNSsolve>aria analyse_restraints cutoff 1000 level 1.01 check * end end 
 Duplicate restraint removed (2):        1       1       566      92
 Duplicate restraint removed (2):        2       1       646     193
 Duplicate restraint removed (2):        3       2       552      74
 Duplicate restraint removed (2):        4       3       759     342
 Duplicate restraint removed (2):        5       4       538      58
 Duplicate restraint removed (2):       11      15       570      97
 Duplicate restraint removed (2):       20      29       634     180
 Duplicate restraint removed (1):       24      34       530      48
 Duplicate restraint removed (2):       35      46       537      55
 Duplicate restraint removed (2):       37      50       813      52
 Duplicate restraint removed (2):       41      55       636     183
 Duplicate restraint removed (2):       42      56       503      12
 Duplicate restraint removed (1):       45      59       788      13
 Duplicate restraint removed (1):       46      61       596     128
 Duplicate restraint removed (1):       47      62       671     232
 Duplicate restraint removed (1):       52      67       549      70
 Duplicate restraint removed (1):       56      71       630     176
 Duplicate restraint removed (2):       61      76       602     135
 Duplicate restraint removed (2):       65      80       743     319
 Duplicate restraint removed (2):       66      81       640     187
 Duplicate restraint removed (1):       68      85       641     188
 Duplicate restraint removed (2):       83     102       558      82
 Duplicate restraint removed (2):       84     103       755     336
 Duplicate restraint removed (1):       85     104       531      49
 Duplicate restraint removed (1):      100     129       619     158
 Duplicate restraint removed (2):      101     130       705     270
 Duplicate restraint removed (1):      102     131       668     225
 Duplicate restraint removed (1):      106     136       666     222
 Duplicate restraint removed (2):      107     137       546      67
 Duplicate restraint removed (2):      124     164       540      60
 Duplicate restraint removed (2):      125     165       541      61
 Duplicate restraint removed (1):      126     166       837      84
 Duplicate restraint removed (2):      129     170       624     164
 Duplicate restraint removed (2):      135     181       606     139
 Duplicate restraint removed (2):      140     189       709     276
 Duplicate restraint removed (1):      141     190       632     178
 Duplicate restraint removed (2):      142     191       610     146
 Duplicate restraint removed (2):      143     192       620     159
 Duplicate restraint removed (1):      144     193       728     299
 Duplicate restraint removed (1):      147     198       659     215
 Duplicate restraint removed (2):      148     199       690     252
 Duplicate restraint removed (2):      149     200       611     147
 Duplicate restraint removed (1):      150     201       633     179
 Duplicate restraint removed (1):      151     202       643     190
 Duplicate restraint removed (1):      158     211       645     192
 Duplicate restraint removed (2):      162     217       555      78
 Duplicate restraint removed (2):      164     221       504      13
 Duplicate restraint removed (2):      166     228       682     244
 Duplicate restraint removed (2):      180     250       818      59
 Duplicate restraint removed (1):      181     251       614     150
 Duplicate restraint removed (2):      183     254       517      30
 Duplicate restraint removed (1):      195     268       603     136
 Duplicate restraint removed (1):      196     269       604     137
 Duplicate restraint removed (2):      197     274       560      84
 Duplicate restraint removed (1):      198     275       825      66
 Duplicate restraint removed (2):      199     278       823      64
 Duplicate restraint removed (2):      203     285       804      36
 Duplicate restraint removed (2):      227     327       579     107
 Duplicate restraint removed (1):      236     340       607     140
 Duplicate restraint removed (2):      237     342       551      72
 Duplicate restraint removed (2):      250     366       830      72
 Duplicate restraint removed (2):      255     373       649     197
 Duplicate restraint removed (2):      256     374       533      51
 Duplicate restraint removed (2):      257     376       704     268
 Duplicate restraint removed (1):      258     377       534      52
 Duplicate restraint removed (2):      268     395       554      76
 Duplicate restraint removed (2):      269     396       665     221
 Duplicate restraint removed (2):      270     397       673     234
 Duplicate restraint removed (2):      275     406       677     239
 Duplicate restraint removed (2):      276     407       693     255
 Duplicate restraint removed (1):      277     408       730     301
 Duplicate restraint removed (1):      279     411       660     216
 Duplicate restraint removed (2):      282     414       553      75
 Duplicate restraint removed (2):      283     415       748     328
 Duplicate restraint removed (2):      285     417       651     202
 Duplicate restraint removed (2):      286     418       726     297
 Duplicate restraint removed (2):      290     422       760     343
 Duplicate restraint removed (2):      295     429       522      37
 Duplicate restraint removed (2):      303     440       564      89
 Duplicate restraint removed (1):      304     441       631     177
 Duplicate restraint removed (2):      311     450       621     160
 Duplicate restraint removed (1):      312     451       510      23
 Duplicate restraint removed (2):      316     456       557      81
 Duplicate restraint removed (2):      317     457       616     153
 Duplicate restraint removed (2):      327     472       513      26
 Duplicate restraint removed (2):      330     477       576     104
 Duplicate restraint removed (2):      332     479       539      59
 Duplicate restraint removed (2):      339     490       608     142
 Duplicate restraint removed (1):      340     491       577     105
 Duplicate restraint removed (1):      349     504       573     100
 Duplicate restraint removed (1):      356     519       672     233
 Duplicate restraint removed (1):      358     521       535      53
 Duplicate restraint removed (2):      359     522       674     235
 Duplicate restraint removed (2):      366     532       516      29
 Duplicate restraint removed (1):      370     539       644     191
 Duplicate restraint removed (2):      374     545       543      63
 Duplicate restraint removed (1):      386     571       803      35
 Duplicate restraint removed (2):      402     601       598     130
 Duplicate restraint removed (2):      410     613       836      82
 Duplicate restraint removed (2):      413     619       710     277
 Duplicate restraint removed (2):      419     626       650     198
 Duplicate restraint removed (2):      420     627       637     184
 Duplicate restraint removed (2):      421     628       819      60
 Duplicate restraint removed (2):      433     648       814      53
 Duplicate restraint removed (2):      434     649       523      38
 Duplicate restraint removed (2):      436     654       527      44
 Duplicate restraint removed (2):      438     658       574     101
 Duplicate restraint removed (2):      442     665       831      73
 Duplicate restraint removed (2):      444     669       518      32
 Duplicate restraint removed (2):      451     680       737     308
 Duplicate restraint removed (2):      471     717       601     134
 Duplicate restraint removed (2):      476     726       670     231
 Duplicate restraint removed (2):      498       4       838      85
 Duplicate restraint removed (1):      502       9       800      32
 Duplicate restraint removed (2):      506      16       786      11
 Duplicate restraint removed (1):      507      17       796      28
 Duplicate restraint removed (2):      521      35       797      29
 Duplicate restraint removed (2):      586     115       791      21
 Duplicate restraint removed (1):      702     266       790      19
 Duplicate restraint removed (1):      745     322       820      61
 CNSsolve> 
 CNSsolve>evaluate ($file = "NEWIT:unambig.tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:unambig.tbl" (string)
 CNSsolve>set print $file end 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/finaldata/unambig.tbl opened.
 CNSsolve>aria analyse_restraints 
 ANALyse_restraints>      mode intra 
 ANALyse_restraints>      minn 1 maxn 1 
 ANALyse_restraints>      cutoff 1000 
 ANALyse_restraints>      level 1.01 
 ANALyse_restraints>      or-restraint * 
 ANALyse_restraints>end end 
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CNSsolve> 
 CNSsolve> 
 CNSsolve>evaluate ($file = "NEWIT:ambig.tbl") 
 EVALUATE: symbol $FILE set to "NEWIT:ambig.tbl" (string)
 CNSsolve>set print $file end 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/finaldata/ambig.tbl opened.
 CNSsolve>aria analyse_restraints 
 ANALyse_restraints>      mode intra 
 ANALyse_restraints>      minn 2 maxn $iterations.maxn 
 ANALyse_restraints>      cutoff 1000 
 ANALyse_restraints>      level 1.01 
 ANALyse_restraints>      or-restraint * 
 ANALyse_restraints>end end 
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CNSsolve> 
 CNSsolve> 
 CNSsolve>evaluate ($file = "NEWIT:merged.list") 
 EVALUATE: symbol $FILE set to "NEWIT:merged.list" (string)
 CNSsolve>set print $file end 
 ASSFIL: file /usr/lab/people/fkieken/wwsp2_15/run973/structures/it8/finaldata/merged.list opened.
 CNSsolve>aria analyse_restraints 
 ANALyse_restraints>      mode intra 
 ANALyse_restraints>      minn 1 maxn $iterations.maxn 
 ANALyse_restraints>      cutoff 1000 
 ANALyse_restraints>      level 1.01 
 ANALyse_restraints>      list * 
 ANALyse_restraints>end end 
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CHPR: d^-6, int     0.17397E-02    0.17397E-02    0.22000E+01
 CNSsolve> 
 CNSsolve> 
 CNSsolve>stop 
 HEAP: maximum use      =    19499752 current use      =           0 bytes
 HEAP: maximum overhead =         464 current overhead =          64 bytes
          ============================================================
           Maximum dynamic memory allocation:    19499752 bytes
           Maximum dynamic memory overhead:           464 bytes
           Program started at: 12:41:03 on 03-Sep-2015
           Program stopped at: 12:41:06 on 03-Sep-2015
           CPU time used:       2.9500 seconds
          ============================================================

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1  -6.681  18.415   0.473
    2    H2   GLY   1           2HT      GLY   1  -5.888  17.017  -0.058
    3    H3   GLY   1           3HT      GLY   1  -7.533  16.958   0.333
    4    HA2  GLY   1           1HA      GLY   1  -7.313  16.965  -2.035
    5    HA3  GLY   1           2HA      GLY   1  -8.018  18.487  -1.497
    6    H    SER   2           H        SER   2  -5.828  17.185  -3.515
    7    HA   SER   2           HA       SER   2  -4.841  19.658  -4.397
    8    HB2  SER   2           2HB      SER   2  -3.348  19.422  -2.382
    9    HB3  SER   2           1HB      SER   2  -2.742  17.914  -3.062
   10    HG   SER   2           HG       SER   2  -2.563  19.822  -4.925
   11    H    SER   3           H        SER   3  -5.771  18.709  -6.244
   12    HA   SER   3           HA       SER   3  -5.954  17.412  -8.100
   13    HB2  SER   3           2HB      SER   3  -3.061  16.729  -7.495
   14    HB3  SER   3           1HB      SER   3  -3.898  16.367  -9.009
   15    HG   SER   3           HG       SER   3  -4.195  18.616  -9.297
   16    H    SER   4           H        SER   4  -4.977  14.808  -8.657
   17    HA   SER   4           HA       SER   4  -5.686  13.236  -6.314
   18    HB2  SER   4           2HB      SER   4  -7.209  13.090  -8.922
   19    HB3  SER   4           1HB      SER   4  -7.382  11.942  -7.593
   20    HG   SER   4           HG       SER   4  -7.616  14.428  -6.635
   21    H    GLY   5           H        GLY   5  -5.019  11.079  -6.400
   22    HA2  GLY   5           2HA      GLY   5  -3.893   9.791  -8.626
   23    HA3  GLY   5           1HA      GLY   5  -2.608  10.603  -7.739
   24    H    LEU   6           H        LEU   6  -2.986  10.306  -5.235
   25    HA   LEU   6           HA       LEU   6  -3.325   7.426  -4.777
   26    HB2  LEU   6           2HB      LEU   6  -1.958   9.518  -3.078
   27    HB3  LEU   6           1HB      LEU   6  -2.107   7.822  -2.662
   28    HG   LEU   6           HG       LEU   6  -0.538   8.959  -4.977
   29   HD11  LEU   6          1HD1      LEU   6   0.310   7.602  -2.421
   30   HD12  LEU   6          2HD1      LEU   6   0.534   9.303  -2.832
   31   HD13  LEU   6          3HD1      LEU   6   1.387   8.058  -3.744
   32   HD21  LEU   6          3HD2      LEU   6   0.200   6.662  -5.358
   33   HD22  LEU   6          1HD2      LEU   6  -1.544   6.823  -5.587
   34   HD23  LEU   6          2HD2      LEU   6  -0.908   6.094  -4.111
   35    HA   PRO   7           HA       PRO   7  -7.064   8.244  -2.478
   36    HB2  PRO   7           2HB      PRO   7  -6.387   5.764  -1.023
   37    HB3  PRO   7           1HB      PRO   7  -7.826   6.154  -1.969
   38    HG2  PRO   7           2HG      PRO   7  -5.997   4.427  -2.875
   39    HG3  PRO   7           1HG      PRO   7  -6.832   5.545  -3.975
   40    HD2  PRO   7           2HD      PRO   7  -4.077   5.734  -2.808
   41    HD3  PRO   7           1HD      PRO   7  -4.620   6.084  -4.460
   42    HA   PRO   8           HA       PRO   8  -5.838  10.215   1.257
   43    HB2  PRO   8           2HB      PRO   8  -8.158   8.948   2.605
   44    HB3  PRO   8           1HB      PRO   8  -7.739  10.658   2.456
   45    HG2  PRO   8           2HG      PRO   8  -9.722   9.607   1.018
   46    HG3  PRO   8           1HG      PRO   8  -8.637  10.828   0.328
   47    HD2  PRO   8           2HD      PRO   8  -8.686   7.872  -0.103
   48    HD3  PRO   8           1HD      PRO   8  -8.351   9.173  -1.262
   49    H    GLY   9           H        GLY   9  -3.993   9.273   1.989
   50    HA2  GLY   9           2HA      GLY   9  -2.995   8.397   3.964
   51    HA3  GLY   9           1HA      GLY   9  -4.376   7.331   4.154
   52    H    TRP  10           H        TRP  10  -2.837   7.628   1.042
   53    HA   TRP  10           HA       TRP  10  -1.741   4.923   1.389
   54    HB2  TRP  10           2HB      TRP  10  -2.770   6.409  -1.009
   55    HB3  TRP  10           1HB      TRP  10  -1.658   5.060  -1.211
   56    HD1  TRP  10           HD       TRP  10  -4.758   5.379   1.110
   57    HE1  TRP  10           1HE      TRP  10  -6.283   3.354   0.665
   58    HE3  TRP  10           3HE      TRP  10  -2.100   3.188  -2.663
   59    HZ2  TRP  10           2HZ      TRP  10  -6.357   1.134  -1.077
   60    HZ3  TRP  10           3HZ      TRP  10  -2.971   1.120  -3.676
   61    HH2  TRP  10           HH       TRP  10  -5.057   0.113  -2.896
   62    H    GLU  11           H        GLU  11   0.369   4.604   1.379
   63    HA   GLU  11           HA       GLU  11   2.092   6.743   0.338
   64    HB2  GLU  11           2HB      GLU  11   2.538   4.607   2.384
   65    HB3  GLU  11           1HB      GLU  11   3.907   5.304   1.537
   66    HG2  GLU  11           2HG      GLU  11   3.256   7.522   2.349
   67    HG3  GLU  11           1HG      GLU  11   1.914   6.791   3.234
   68    H    GLU  12           H        GLU  12   3.224   6.419  -1.440
   69    HA   GLU  12           HA       GLU  12   3.306   3.736  -2.620
   70    HB2  GLU  12           2HB      GLU  12   2.355   5.462  -4.046
   71    HB3  GLU  12           1HB      GLU  12   3.767   6.484  -3.810
   72    HG2  GLU  12           2HG      GLU  12   5.138   4.773  -4.945
   73    HG3  GLU  12           1HG      GLU  12   3.666   3.855  -5.264
   74    H    LYS  13           H        LYS  13   5.123   2.616  -2.184
   75    HA   LYS  13           HA       LYS  13   7.700   3.812  -2.596
   76    HB2  LYS  13           2HB      LYS  13   8.543   3.255  -0.289
   77    HB3  LYS  13           1HB      LYS  13   7.455   4.637  -0.379
   78    HG2  LYS  13           2HG      LYS  13   5.601   3.102   0.332
   79    HG3  LYS  13           1HG      LYS  13   6.827   1.858   0.603
   80    HD2  LYS  13           2HD      LYS  13   7.935   3.259   2.238
   81    HD3  LYS  13           1HD      LYS  13   6.810   4.581   1.913
   82    HE2  LYS  13           2HE      LYS  13   4.956   3.072   2.645
   83    HE3  LYS  13           1HE      LYS  13   6.175   1.900   3.143
   84    HZ1  LYS  13           3HZ      LYS  13   5.919   4.677   4.180
   85    HZ2  LYS  13           1HZ      LYS  13   7.069   3.532   4.686
   86    HZ3  LYS  13           2HZ      LYS  13   5.429   3.274   4.996
   87    H    GLN  14           H        GLN  14   9.470   2.219  -2.281
   88    HA   GLN  14           HA       GLN  14   8.552  -0.327  -3.308
   89    HB2  GLN  14           2HB      GLN  14  10.941  -0.756  -3.784
   90    HB3  GLN  14           1HB      GLN  14  10.343   0.732  -4.502
   91    HG2  GLN  14           2HG      GLN  14  12.244   1.589  -3.689
   92    HG3  GLN  14           1HG      GLN  14  11.343   1.686  -2.182
   93   HE21  GLN  14          1HE2      GLN  14  11.800   0.238  -0.528
   94   HE22  GLN  14          2HE2      GLN  14  13.228  -0.737  -0.523
   95    H    ASP  15           H        ASP  15   9.118  -2.352  -2.526
   96    HA   ASP  15           HA       ASP  15   9.314  -2.479   0.377
   97    HB2  ASP  15           2HB      ASP  15   8.568  -4.735   0.193
   98    HB3  ASP  15           1HB      ASP  15   7.613  -3.807  -0.969
   99    H    ASP  16           H        ASP  16  10.448  -4.945   0.737
  100    HA   ASP  16           HA       ASP  16  13.222  -4.480   0.651
  101    HB2  ASP  16           2HB      ASP  16  12.183  -5.963   2.297
  102    HB3  ASP  16           1HB      ASP  16  11.690  -7.069   1.019
  103    H    ARG  17           H        ARG  17  11.039  -6.247  -1.483
  104    HA   ARG  17           HA       ARG  17  13.156  -7.372  -3.064
  105    HB2  ARG  17           2HB      ARG  17  10.217  -7.106  -3.696
  106    HB3  ARG  17           1HB      ARG  17  11.372  -8.113  -4.559
  107    HG2  ARG  17           2HG      ARG  17  10.445  -8.446  -1.710
  108    HG3  ARG  17           1HG      ARG  17  10.052  -9.481  -3.085
  109    HD2  ARG  17           2HD      ARG  17  12.492  -9.989  -3.290
  110    HD3  ARG  17           1HD      ARG  17  12.747  -9.093  -1.791
  111    HE   ARG  17           HE       ARG  17  11.041 -11.496  -1.962
  112   HH11  ARG  17          1HH1      ARG  17  13.463  -9.548  -0.313
  113   HH12  ARG  17          2HH1      ARG  17  13.623 -10.661   1.011
  114   HH21  ARG  17          1HH2      ARG  17  11.250 -12.944  -0.199
  115   HH22  ARG  17          2HH2      ARG  17  12.345 -12.551   1.100
  116    H    GLY  18           H        GLY  18  11.616  -4.350  -2.914
  117    HA2  GLY  18           2HA      GLY  18  12.604  -2.459  -3.917
  118    HA3  GLY  18           1HA      GLY  18  13.276  -3.498  -5.161
  119    H    ARG  19           H        ARG  19   9.948  -4.030  -4.493
  120    HA   ARG  19           HA       ARG  19   9.342  -2.713  -7.049
  121    HB2  ARG  19           2HB      ARG  19   7.488  -4.159  -7.294
  122    HB3  ARG  19           1HB      ARG  19   8.804  -5.164  -6.713
  123    HG2  ARG  19           2HG      ARG  19   7.868  -5.060  -4.442
  124    HG3  ARG  19           1HG      ARG  19   6.526  -4.095  -5.057
  125    HD2  ARG  19           2HD      ARG  19   7.218  -6.939  -5.772
  126    HD3  ARG  19           1HD      ARG  19   5.799  -6.368  -4.895
  127    HE   ARG  19           HE       ARG  19   5.043  -5.343  -6.971
  128   HH11  ARG  19          1HH1      ARG  19   7.541  -7.776  -7.165
  129   HH12  ARG  19          2HH1      ARG  19   7.283  -8.089  -8.856
  130   HH21  ARG  19          1HH2      ARG  19   4.692  -5.754  -9.206
  131   HH22  ARG  19          2HH2      ARG  19   5.662  -6.941 -10.016
  132    H    SER  20           H        SER  20   7.690  -1.229  -7.252
  133    HA   SER  20           HA       SER  20   7.187   0.369  -4.953
  134    HB2  SER  20           2HB      SER  20   5.740   0.542  -7.596
  135    HB3  SER  20           1HB      SER  20   6.051   1.832  -6.437
  136    HG   SER  20           HG       SER  20   8.371   1.284  -6.898
  137    H    TYR  21           H        TYR  21   5.853  -0.328  -3.394
  138    HA   TYR  21           HA       TYR  21   3.287  -1.491  -4.217
  139    HB2  TYR  21           2HB      TYR  21   3.159  -2.655  -2.134
  140    HB3  TYR  21           1HB      TYR  21   4.769  -2.943  -2.777
  141    HD1  TYR  21           1HD      TYR  21   2.832  -1.182  -0.203
  142    HD2  TYR  21           2HD      TYR  21   6.730  -2.148  -1.600
  143    HE1  TYR  21           1HE      TYR  21   3.774  -0.416   1.932
  144    HE2  TYR  21           2HE      TYR  21   7.687  -1.389   0.534
  145    HH   TYR  21           HH       TYR  21   5.864  -0.833   3.288
  146    H    TYR  22           H        TYR  22   1.592  -1.069  -2.391
  147    HA   TYR  22           HA       TYR  22   1.748   1.749  -1.578
  148    HB2  TYR  22           2HB      TYR  22  -0.641   0.278  -2.706
  149    HB3  TYR  22           1HB      TYR  22  -0.697   1.894  -2.020
  150    HD1  TYR  22           2HD      TYR  22   0.514  -0.111  -4.873
  151    HD2  TYR  22           1HD      TYR  22   0.068   3.783  -3.233
  152    HE1  TYR  22           2HE      TYR  22   1.053   0.865  -7.066
  153    HE2  TYR  22           1HE      TYR  22   0.600   4.768  -5.419
  154    HH   TYR  22           HH       TYR  22   1.808   4.152  -7.473
  155    H    VAL  23           H        VAL  23   1.019   2.200   0.458
  156    HA   VAL  23           HA       VAL  23  -0.192  -0.032   1.935
  157    HB   VAL  23           HB       VAL  23   2.048   0.224   2.778
  158   HG11  VAL  23          1HG1      VAL  23   2.840   2.317   3.784
  159   HG12  VAL  23          2HG1      VAL  23   1.360   3.117   3.256
  160   HG13  VAL  23          3HG1      VAL  23   2.501   2.500   2.062
  161   HG21  VAL  23          3HG2      VAL  23   0.354  -0.306   4.426
  162   HG22  VAL  23          1HG2      VAL  23   0.017   1.408   4.666
  163   HG23  VAL  23          2HG2      VAL  23   1.577   0.741   5.147
  164    H    ASP  24           H        ASP  24  -2.072   0.327   2.797
  165    HA   ASP  24           HA       ASP  24  -3.234   2.994   2.704
  166    HB2  ASP  24           2HB      ASP  24  -4.629   1.227   1.831
  167    HB3  ASP  24           1HB      ASP  24  -4.399   0.263   3.289
  168    H    HIS  25           H        HIS  25  -3.257   4.282   4.429
  169    HA   HIS  25           HA       HIS  25  -2.483   3.235   7.018
  170    HB2  HIS  25           2HB      HIS  25  -2.987   6.021   5.998
  171    HB3  HIS  25           1HB      HIS  25  -2.689   5.679   7.701
  172    HD1  HIS  25           1HD      HIS  25  -0.340   4.277   8.116
  173    HD2  HIS  25           2HD      HIS  25  -0.699   6.435   4.573
  174    HE1  HIS  25           1HE      HIS  25   1.988   4.511   7.217
  175    HE2  HIS  25           2HE      HIS  25   1.779   6.020   5.228
  176    H    ASN  26           H        ASN  26  -5.409   3.368   5.489
  177    HA   ASN  26           HA       ASN  26  -7.000   4.451   7.614
  178    HB2  ASN  26           2HB      ASN  26  -7.762   2.837   5.173
  179    HB3  ASN  26           1HB      ASN  26  -8.932   3.433   6.346
  180   HD21  ASN  26          1HD2      ASN  26  -6.786   4.246   3.762
  181   HD22  ASN  26          2HD2      ASN  26  -7.302   5.897   3.577
  182    H    SER  27           H        SER  27  -6.580   1.101   6.371
  183    HA   SER  27           HA       SER  27  -7.440   0.124   8.994
  184    HB2  SER  27           2HB      SER  27  -7.034  -2.151   7.813
  185    HB3  SER  27           1HB      SER  27  -8.398  -1.172   7.276
  186    HG   SER  27           HG       SER  27  -5.910  -1.611   6.020
  187    H    LYS  28           H        LYS  28  -4.695   0.892   7.222
  188    HA   LYS  28           HA       LYS  28  -2.486   0.981   7.698
  189    HB2  LYS  28           2HB      LYS  28  -3.157  -0.409  10.294
  190    HB3  LYS  28           1HB      LYS  28  -1.610   0.316   9.884
  191    HG2  LYS  28           2HG      LYS  28  -2.574   2.504   9.843
  192    HG3  LYS  28           1HG      LYS  28  -4.195   1.842  10.051
  193    HD2  LYS  28           2HD      LYS  28  -1.937   1.734  12.045
  194    HD3  LYS  28           1HD      LYS  28  -3.384   2.737  12.148
  195    HE2  LYS  28           2HE      LYS  28  -3.222  -0.269  12.288
  196    HE3  LYS  28           1HE      LYS  28  -3.666   0.838  13.584
  197    HZ1  LYS  28           3HZ      LYS  28  -5.217   0.165  11.153
  198    HZ2  LYS  28           1HZ      LYS  28  -5.592   1.510  12.115
  199    HZ3  LYS  28           2HZ      LYS  28  -5.668  -0.048  12.771
  200    H    THR  29           H        THR  29  -2.336  -0.378   5.918
  201    HA   THR  29           HA       THR  29  -1.400  -3.054   6.365
  202    HB   THR  29           HB       THR  29  -3.309  -3.745   4.595
  203    HG1  THR  29           1HG      THR  29  -4.497  -1.897   4.605
  204   HG21  THR  29          3HG2      THR  29  -2.769  -4.947   6.649
  205   HG22  THR  29          1HG2      THR  29  -4.514  -4.776   6.457
  206   HG23  THR  29          2HG2      THR  29  -3.647  -3.742   7.591
  207    H    THR  30           H        THR  30  -0.074  -3.637   4.727
  208    HA   THR  30           HA       THR  30   0.207  -1.869   2.451
  209    HB   THR  30           HB       THR  30   1.774  -4.177   3.546
  210    HG1  THR  30           1HG      THR  30   2.782  -2.499   4.285
  211   HG21  THR  30          3HG2      THR  30   3.319  -4.013   1.627
  212   HG22  THR  30          1HG2      THR  30   2.184  -2.930   0.823
  213   HG23  THR  30          2HG2      THR  30   1.726  -4.602   1.148
  214    H    THR  31           H        THR  31  -0.716  -2.193   0.548
  215    HA   THR  31           HA       THR  31  -1.544  -4.896  -0.190
  216    HB   THR  31           HB       THR  31  -3.535  -3.870   0.773
  217    HG1  THR  31           1HG      THR  31  -4.884  -4.342  -0.882
  218   HG21  THR  31          3HG2      THR  31  -3.160  -1.671  -1.256
  219   HG22  THR  31          1HG2      THR  31  -2.988  -1.519   0.492
  220   HG23  THR  31          2HG2      THR  31  -4.565  -1.871  -0.211
  221    H    TRP  32           H        TRP  32  -0.509  -5.320  -2.018
  222    HA   TRP  32           HA       TRP  32   0.398  -3.175  -3.721
  223    HB2  TRP  32           2HB      TRP  32   1.906  -5.014  -3.404
  224    HB3  TRP  32           1HB      TRP  32   0.672  -6.182  -3.838
  225    HD1  TRP  32           HD       TRP  32   1.969  -7.298  -5.751
  226    HE1  TRP  32           1HE      TRP  32   2.696  -6.569  -8.100
  227    HE3  TRP  32           3HE      TRP  32   1.109  -2.274  -5.332
  228    HZ2  TRP  32           2HZ      TRP  32   2.876  -4.171  -9.590
  229    HZ3  TRP  32           3HZ      TRP  32   1.586  -0.832  -7.265
  230    HH2  TRP  32           HH       TRP  32   2.453  -1.768  -9.350
  231    H    SER  33           H        SER  33  -1.354  -2.228  -4.558
  232    HA   SER  33           HA       SER  33  -2.805  -3.719  -6.612
  233    HB2  SER  33           2HB      SER  33  -4.256  -3.513  -4.596
  234    HB3  SER  33           1HB      SER  33  -4.085  -1.760  -4.682
  235    HG   SER  33           HG       SER  33  -5.979  -2.955  -5.746
  236    H    LYS  34           H        LYS  34  -3.429  -2.438  -8.404
  237    HA   LYS  34           HA       LYS  34  -2.093   0.159  -8.531
  238    HB2  LYS  34           2HB      LYS  34  -3.184  -1.659 -10.672
  239    HB3  LYS  34           1HB      LYS  34  -2.715   0.001 -11.005
  240    HG2  LYS  34           2HG      LYS  34  -0.778  -1.834  -9.677
  241    HG3  LYS  34           1HG      LYS  34  -1.048  -1.965 -11.411
  242    HD2  LYS  34           2HD      LYS  34   0.855  -0.538 -10.962
  243    HD3  LYS  34           1HD      LYS  34  -0.455   0.408 -11.665
  244    HE2  LYS  34           2HE      LYS  34  -1.050   1.247  -9.450
  245    HE3  LYS  34           1HE      LYS  34   0.227   0.271  -8.721
  246    HZ1  LYS  34           3HZ      LYS  34   0.904   2.579  -9.020
  247    HZ2  LYS  34           1HZ      LYS  34   0.638   2.468 -10.690
  248    HZ3  LYS  34           2HZ      LYS  34   1.867   1.553  -9.964
  249    HA   PRO  35           HA       PRO  35  -5.970   2.043  -7.395
  250    HB2  PRO  35           2HB      PRO  35  -4.541   4.384  -8.567
  251    HB3  PRO  35           1HB      PRO  35  -5.379   4.235  -7.018
  252    HG2  PRO  35           2HG      PRO  35  -2.726   4.206  -7.109
  253    HG3  PRO  35           1HG      PRO  35  -3.603   3.119  -6.013
  254    HD2  PRO  35           2HD      PRO  35  -2.265   2.521  -8.618
  255    HD3  PRO  35           1HD      PRO  35  -2.363   1.533  -7.145
  256    H    THR  36           H        THR  36  -7.802   2.220  -8.502
  257    HA   THR  36           HA       THR  36  -7.755   2.143 -11.380
  258    HB   THR  36           HB       THR  36 -10.362   2.225 -10.870
  259    HG1  THR  36           1HG      THR  36 -10.619   2.410  -8.754
  260   HG21  THR  36          3HG2      THR  36  -9.153   0.325 -11.848
  261   HG22  THR  36          1HG2      THR  36 -10.339  -0.207 -10.655
  262   HG23  THR  36          2HG2      THR  36  -8.627  -0.166 -10.236
  263    H    MET  37           H        MET  37  -9.062   3.569 -12.696
  264    HA   MET  37           HA       MET  37  -9.151   6.296 -11.605
  265    HB2  MET  37           2HB      MET  37  -8.770   5.385 -14.463
  266    HB3  MET  37           1HB      MET  37  -8.927   7.062 -13.961
  267    HG2  MET  37           2HG      MET  37  -6.892   6.896 -12.661
  268    HG3  MET  37           1HG      MET  37  -6.745   5.189 -13.070
  269    HE1  MET  37           3HE      MET  37  -4.368   7.340 -13.529
  270    HE2  MET  37           1HE      MET  37  -3.797   6.786 -15.102
  271    HE3  MET  37           2HE      MET  37  -4.260   5.612 -13.871
  272    H    GLN  38           H        GLU  38 -11.107   7.144 -11.345
  273    HA   GLN  38           HA       GLU  38 -13.307   6.081 -12.988
  274    HB2  GLN  38           2HB      GLU  38 -13.477   7.389 -10.270
  275    HB3  GLN  38           1HB      GLU  38 -14.830   6.765 -11.202
  276    HG2  GLN  38           2HG      GLU  38 -13.796   4.505 -11.066
  277    HG3  GLN  38           1HG      GLU  38 -12.583   5.187  -9.985
  278    H    ASP  39           H        ASP  39 -13.724   7.430 -14.583
  279    HA   ASP  39           HA       ASP  39 -13.955  10.277 -14.021
  280    HB2  ASP  39           2HB      ASP  39 -11.640   9.997 -14.795
  281    HB3  ASP  39           1HB      ASP  39 -12.214   9.166 -16.237
  282    H1   ALA  40           1HT      ALA  40 -11.952 -10.887  10.076
  283    H2   ALA  40           2HT      ALA  40 -12.746 -10.237   8.730
  284    H3   ALA  40           3HT      ALA  40 -12.657  -9.349  10.174
  285    HA   ALA  40           HA       ALA  40 -10.249  -9.240   9.968
  286    HB1  ALA  40           2HB      ALA  40  -9.205  -9.904   7.856
  287    HB2  ALA  40           3HB      ALA  40 -10.747 -10.550   7.296
  288    HB3  ALA  40           1HB      ALA  40  -9.931 -11.284   8.677
  289    HA   PRO  41           HA       PRO  41 -11.865  -5.555   7.882
  290    HB2  PRO  41           2HB      PRO  41 -10.984  -3.771   9.664
  291    HB3  PRO  41           1HB      PRO  41 -12.379  -4.796  10.024
  292    HG2  PRO  41           2HG      PRO  41  -9.569  -5.009  10.989
  293    HG3  PRO  41           1HG      PRO  41 -11.081  -5.366  11.842
  294    HD2  PRO  41           2HD      PRO  41  -9.383  -7.236  10.606
  295    HD3  PRO  41           1HD      PRO  41 -11.048  -7.530  11.148
  296    H    LEU  42           H        LEU  42  -8.760  -6.710   8.491
  297    HA   LEU  42           HA       LEU  42  -7.451  -4.470   7.095
  298    HB2  LEU  42           2HB      LEU  42  -6.598  -6.350   9.210
  299    HB3  LEU  42           1HB      LEU  42  -5.398  -5.992   7.985
  300    HG   LEU  42           HG       LEU  42  -5.550  -3.609   8.489
  301   HD11  LEU  42          1HD1      LEU  42  -7.900  -3.528   9.158
  302   HD12  LEU  42          2HD1      LEU  42  -6.842  -2.771  10.347
  303   HD13  LEU  42          3HD1      LEU  42  -7.498  -4.380  10.651
  304   HD21  LEU  42          3HD2      LEU  42  -4.585  -3.675  10.746
  305   HD22  LEU  42          1HD2      LEU  42  -3.923  -4.924   9.693
  306   HD23  LEU  42          2HD2      LEU  42  -5.126  -5.347  10.913
  307    H    SEP  43           H        SEP  43  -6.211  -4.839   5.294
  308    HA   SEP  43           HA       SEP  43  -6.906  -7.191   3.768
  309    HB2  SEP  43           1HB      SEP  43  -5.775  -5.994   1.915
  310    HB3  SEP  43           2HB      SEP  43  -5.256  -4.744   3.055
  311    HA   PRO  44           HA       PRO  44  -3.190  -9.472   4.607
  312    HB2  PRO  44           2HB      PRO  44  -3.144 -11.056   2.391
  313    HB3  PRO  44           1HB      PRO  44  -4.242 -11.323   3.751
  314    HG2  PRO  44           2HG      PRO  44  -4.763 -10.015   1.112
  315    HG3  PRO  44           1HG      PRO  44  -5.792 -11.122   2.038
  316    HD2  PRO  44           2HD      PRO  44  -6.171  -8.433   2.002
  317    HD3  PRO  44           1HD      PRO  44  -6.589  -9.443   3.398
  318    H    MET  45           H        MET  45  -1.154  -8.846   4.386
  319    HA   MET  45           HA       MET  45  -0.395  -7.162   2.154
  320    HB2  MET  45           2HB      MET  45   1.226  -7.973   4.577
  321    HB3  MET  45           1HB      MET  45   1.629  -6.699   3.438
  322    HG2  MET  45           2HG      MET  45  -0.460  -5.531   4.111
  323    HG3  MET  45           1HG      MET  45  -0.676  -6.753   5.360
  324    HE1  MET  45           3HE      MET  45   2.538  -6.152   7.569
  325    HE2  MET  45           1HE      MET  45   2.448  -7.221   6.171
  326    HE3  MET  45           2HE      MET  45   1.113  -7.159   7.322
  327    H    SEP  46           H        SEP  46   0.680  -7.842   0.430
  328    HA   SEP  46           HA       SEP  46   1.763 -10.536   0.424
  329    HB2  SEP  46           1HB      SEP  46   1.893 -10.251  -2.024
  330    HB3  SEP  46           2HB      SEP  46   1.330  -8.585  -1.847
  331    HA   PRO  47           HA       PRO  47   5.771  -8.258  -0.482
  332    HB2  PRO  47           2HB      PRO  47   5.909  -5.601  -0.856
  333    HB3  PRO  47           1HB      PRO  47   5.442  -6.706  -2.154
  334    HG2  PRO  47           2HG      PRO  47   3.776  -4.856  -0.556
  335    HG3  PRO  47           1HG      PRO  47   3.535  -5.447  -2.206
  336    HD2  PRO  47           2HD      PRO  47   2.275  -6.395   0.156
  337    HD3  PRO  47           1HD      PRO  47   2.171  -7.095  -1.470
  338    HA   PRO  48           HA       PRO  48   6.616  -7.192   3.743
  339    HB2  PRO  48           2HB      PRO  48   9.288  -6.928   3.631
  340    HB3  PRO  48           1HB      PRO  48   8.508  -8.497   3.399
  341    HG2  PRO  48           2HG      PRO  48   9.457  -6.546   1.318
  342    HG3  PRO  48           1HG      PRO  48   9.783  -8.293   1.430
  343    HD2  PRO  48           2HD      PRO  48   7.861  -7.308  -0.171
  344    HD3  PRO  48           1HD      PRO  48   7.656  -8.851   0.686
  345    H    GLY  49           H        GLY  49   8.167  -5.553   4.954
  346    HA2  GLY  49           2HA      GLY  49   9.312  -3.384   4.707
  347    HA3  GLY  49           1HA      GLY  49   8.034  -2.937   3.587
  348    H    TYR  50           H        TYR  50   5.756  -3.401   4.704
  349    HA   TYR  50           HA       TYR  50   5.724  -1.619   7.006
  350    HB2  TYR  50           2HB      TYR  50   4.087  -1.707   4.921
  351    HB3  TYR  50           1HB      TYR  50   3.255  -2.906   5.903
  352    HD1  TYR  50           1HD      TYR  50   4.566   0.584   6.110
  353    HD2  TYR  50           2HD      TYR  50   1.671  -2.248   7.407
  354    HE1  TYR  50           1HE      TYR  50   3.350   2.370   7.283
  355    HE2  TYR  50           2HE      TYR  50   0.449  -0.474   8.579
  356    HH   TYR  50           HH       TYR  50   0.981   1.793   9.569
  357    H    LYS  51           H        LYS  51   5.650  -2.302   9.026
  358    HA   LYS  51           HA       LYS  51   5.471  -3.626  10.867
  359    HB2  LYS  51           2HB      LYS  51   3.803  -5.396   9.069
  360    HB3  LYS  51           1HB      LYS  51   4.012  -5.645  10.797
  361    HG2  LYS  51           2HG      LYS  51   2.856  -3.135   9.613
  362    HG3  LYS  51           1HG      LYS  51   1.880  -4.517  10.117
  363    HD2  LYS  51           2HD      LYS  51   2.715  -4.301  12.391
  364    HD3  LYS  51           1HD      LYS  51   3.772  -2.977  11.898
  365    HE2  LYS  51           2HE      LYS  51   1.886  -1.580  11.408
  366    HE3  LYS  51           1HE      LYS  51   0.770  -2.921  11.658
  367    HZ1  LYS  51           3HZ      LYS  51   0.887  -1.370  13.549
  368    HZ2  LYS  51           1HZ      LYS  51   2.519  -1.781  13.773
  369    HZ3  LYS  51           2HZ      LYS  51   1.310  -2.958  13.966
  370    H    LEU  52           H        LEU  52   7.221  -4.137   8.313
  371    HA   LEU  52           HA       LEU  52   9.036  -5.336   7.743
  372    HB2  LEU  52           2HB      LEU  52   8.792  -6.477  10.523
  373    HB3  LEU  52           1HB      LEU  52  10.148  -6.754   9.446
  374    HG   LEU  52           HG       LEU  52   9.305  -4.071  10.558
  375   HD11  LEU  52          1HD1      LEU  52  11.668  -5.835  11.203
  376   HD12  LEU  52          2HD1      LEU  52  10.291  -5.509  12.255
  377   HD13  LEU  52          3HD1      LEU  52  11.398  -4.206  11.824
  378   HD21  LEU  52          3HD2      LEU  52  11.380  -3.239   9.564
  379   HD22  LEU  52          1HD2      LEU  52  10.290  -3.878   8.332
  380   HD23  LEU  52          2HD2      LEU  52  11.678  -4.828   8.856
  381    H    VAL  53           H        VAL  53   7.642  -7.884   9.779
  382    HA   VAL  53           HA       VAL  53   6.705  -9.305   7.409
  383    HB   VAL  53           HB       VAL  53   8.644 -10.566   9.370
  384   HG11  VAL  53          1HG1      VAL  53   6.910 -12.118   8.661
  385   HG12  VAL  53          2HG1      VAL  53   8.475 -12.561   7.976
  386   HG13  VAL  53          3HG1      VAL  53   7.266 -11.764   6.972
  387   HG21  VAL  53          3HG2      VAL  53  10.130 -10.839   7.450
  388   HG22  VAL  53          1HG2      VAL  53   9.805  -9.138   7.792
  389   HG23  VAL  53          2HG2      VAL  53   8.994  -9.938   6.445
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1   1.549  11.690   0.145
    2    H2   GLY   1           2HT      GLY   1   3.089  12.253  -0.288
    3    H3   GLY   1           3HT      GLY   1   2.853  10.616   0.064
    4    HA2  GLY   1           1HA      GLY   1   3.035  10.936  -2.312
    5    HA3  GLY   1           2HA      GLY   1   1.446  10.340  -1.856
    6    H    SER   2           H        SER   2   1.239  13.312  -0.732
    7    HA   SER   2           HA       SER   2   0.440  15.323  -1.392
    8    HB2  SER   2           2HB      SER   2   1.572  14.605  -4.114
    9    HB3  SER   2           1HB      SER   2   1.090  16.216  -3.582
   10    HG   SER   2           HG       SER   2   3.451  15.397  -3.411
   11    H    SER   3           H        SER   3  -0.973  16.287  -3.437
   12    HA   SER   3           HA       SER   3  -3.315  14.594  -3.443
   13    HB2  SER   3           2HB      SER   3  -3.423  17.096  -3.108
   14    HB3  SER   3           1HB      SER   3  -2.959  17.279  -4.800
   15    HG   SER   3           HG       SER   3  -4.845  16.299  -5.430
   16    H    SER   4           H        SER   4  -3.006  12.893  -4.761
   17    HA   SER   4           HA       SER   4  -2.306  13.446  -7.564
   18    HB2  SER   4           2HB      SER   4  -1.367  11.041  -7.487
   19    HB3  SER   4           1HB      SER   4  -0.424  12.319  -6.719
   20    HG   SER   4           HG       SER   4  -0.716  11.400  -4.852
   21    H    GLY   5           H        GLY   5  -3.610  10.744  -5.639
   22    HA2  GLY   5           2HA      GLY   5  -6.231  10.794  -6.447
   23    HA3  GLY   5           1HA      GLY   5  -5.387   9.956  -7.743
   24    H    LEU   6           H        LEU   6  -4.484   9.801  -4.366
   25    HA   LEU   6           HA       LEU   6  -5.075   6.923  -4.401
   26    HB2  LEU   6           2HB      LEU   6  -3.425   6.881  -2.447
   27    HB3  LEU   6           1HB      LEU   6  -2.775   7.139  -4.053
   28    HG   LEU   6           HG       LEU   6  -2.839   9.646  -3.469
   29   HD11  LEU   6          1HD1      LEU   6  -2.635  10.183  -1.104
   30   HD12  LEU   6          2HD1      LEU   6  -2.965   8.503  -0.681
   31   HD13  LEU   6          3HD1      LEU   6  -4.213   9.479  -1.459
   32   HD21  LEU   6          3HD2      LEU   6  -0.925   7.748  -2.127
   33   HD22  LEU   6          1HD2      LEU   6  -0.650   9.478  -2.339
   34   HD23  LEU   6          2HD2      LEU   6  -0.792   8.427  -3.748
   35    HA   PRO   7           HA       PRO   7  -8.173   7.384  -1.276
   36    HB2  PRO   7           2HB      PRO   7  -6.985   4.985   0.015
   37    HB3  PRO   7           1HB      PRO   7  -8.639   5.256  -0.548
   38    HG2  PRO   7           2HG      PRO   7  -7.026   3.663  -1.932
   39    HG3  PRO   7           1HG      PRO   7  -8.094   4.805  -2.773
   40    HD2  PRO   7           2HD      PRO   7  -5.161   5.060  -2.178
   41    HD3  PRO   7           1HD      PRO   7  -6.033   5.396  -3.686
   42    HA   PRO   8           HA       PRO   8  -6.340   9.649   1.999
   43    HB2  PRO   8           2HB      PRO   8  -8.148   9.098   4.030
   44    HB3  PRO   8           1HB      PRO   8  -8.352  10.342   2.793
   45    HG2  PRO   8           2HG      PRO   8  -9.498   7.589   2.922
   46    HG3  PRO   8           1HG      PRO   8 -10.239   9.092   2.344
   47    HD2  PRO   8           2HD      PRO   8  -9.316   7.230   0.645
   48    HD3  PRO   8           1HD      PRO   8  -9.194   8.965   0.284
   49    H    GLY   9           H        GLY   9  -4.481   8.920   2.827
   50    HA2  GLY   9           2HA      GLY   9  -3.394   8.109   4.801
   51    HA3  GLY   9           1HA      GLY   9  -4.651   6.890   4.947
   52    H    TRP  10           H        TRP  10  -3.744   7.095   1.745
   53    HA   TRP  10           HA       TRP  10  -2.061   4.718   2.003
   54    HB2  TRP  10           2HB      TRP  10  -3.474   5.976  -0.355
   55    HB3  TRP  10           1HB      TRP  10  -2.353   4.629  -0.521
   56    HD1  TRP  10           HD       TRP  10  -5.216   5.074   2.072
   57    HE1  TRP  10           1HE      TRP  10  -6.766   3.023   1.879
   58    HE3  TRP  10           3HE      TRP  10  -2.937   2.712  -1.833
   59    HZ2  TRP  10           2HZ      TRP  10  -6.977   0.699   0.277
   60    HZ3  TRP  10           3HZ      TRP  10  -3.865   0.590  -2.646
   61    HH2  TRP  10           HH       TRP  10  -5.847  -0.399  -1.608
   62    H    GLU  11           H        GLU  11   0.078   4.912   1.982
   63    HA   GLU  11           HA       GLU  11   1.289   7.253   0.683
   64    HB2  GLU  11           2HB      GLU  11   2.312   5.265   2.682
   65    HB3  GLU  11           1HB      GLU  11   3.430   6.216   1.726
   66    HG2  GLU  11           2HG      GLU  11   2.302   8.260   2.606
   67    HG3  GLU  11           1HG      GLU  11   1.416   7.205   3.712
   68    H    GLU  12           H        GLU  12   2.808   7.073  -0.928
   69    HA   GLU  12           HA       GLU  12   3.000   4.528  -2.319
   70    HB2  GLU  12           2HB      GLU  12   2.617   6.687  -3.542
   71    HB3  GLU  12           1HB      GLU  12   4.208   7.217  -3.022
   72    HG2  GLU  12           2HG      GLU  12   3.916   4.675  -4.554
   73    HG3  GLU  12           1HG      GLU  12   3.858   6.223  -5.394
   74    H    LYS  13           H        LYS  13   4.460   3.146  -1.583
   75    HA   LYS  13           HA       LYS  13   7.089   4.130  -0.741
   76    HB2  LYS  13           2HB      LYS  13   5.237   2.377   0.870
   77    HB3  LYS  13           1HB      LYS  13   6.975   2.390   1.145
   78    HG2  LYS  13           2HG      LYS  13   5.221   4.836   1.300
   79    HG3  LYS  13           1HG      LYS  13   5.695   3.858   2.689
   80    HD2  LYS  13           2HD      LYS  13   8.002   4.368   2.362
   81    HD3  LYS  13           1HD      LYS  13   7.669   5.130   0.807
   82    HE2  LYS  13           2HE      LYS  13   8.048   6.836   2.467
   83    HE3  LYS  13           1HE      LYS  13   6.364   6.876   1.957
   84    HZ1  LYS  13           3HZ      LYS  13   7.281   5.489   4.412
   85    HZ2  LYS  13           1HZ      LYS  13   5.682   5.878   3.971
   86    HZ3  LYS  13           2HZ      LYS  13   6.772   7.106   4.393
   87    H    GLN  14           H        GLN  14   8.459   1.971  -0.215
   88    HA   GLN  14           HA       GLN  14   8.052   0.269  -2.581
   89    HB2  GLN  14           2HB      GLN  14  10.391   0.244  -3.001
   90    HB3  GLN  14           1HB      GLN  14   9.929   1.926  -2.796
   91    HG2  GLN  14           2HG      GLN  14  11.236   0.211  -0.699
   92    HG3  GLN  14           1HG      GLN  14  12.067   1.371  -1.725
   93   HE21  GLN  14          1HE2      GLN  14  10.006   0.896   1.001
   94   HE22  GLN  14          2HE2      GLN  14  10.057   2.527   1.590
   95    H    ASP  15           H        ASP  15   8.742  -1.912  -2.443
   96    HA   ASP  15           HA       ASP  15   8.726  -2.965   0.291
   97    HB2  ASP  15           2HB      ASP  15   8.121  -5.065  -0.622
   98    HB3  ASP  15           1HB      ASP  15   7.201  -3.869  -1.520
   99    H    ASP  16           H        ASP  16  10.086  -5.285   0.097
  100    HA   ASP  16           HA       ASP  16  12.743  -4.547   0.475
  101    HB2  ASP  16           2HB      ASP  16  11.571  -7.272  -0.109
  102    HB3  ASP  16           1HB      ASP  16  13.216  -6.997   0.446
  103    H    ARG  17           H        ARG  17  11.065  -5.415  -2.417
  104    HA   ARG  17           HA       ARG  17  13.496  -6.029  -3.896
  105    HB2  ARG  17           2HB      ARG  17  10.588  -5.947  -4.745
  106    HB3  ARG  17           1HB      ARG  17  11.922  -6.444  -5.776
  107    HG2  ARG  17           2HG      ARG  17  12.351  -8.361  -4.442
  108    HG3  ARG  17           1HG      ARG  17  11.243  -7.806  -3.183
  109    HD2  ARG  17           2HD      ARG  17  10.465  -8.544  -6.006
  110    HD3  ARG  17           1HD      ARG  17  10.266  -9.579  -4.591
  111    HE   ARG  17           HE       ARG  17   8.982  -7.182  -4.002
  112   HH11  ARG  17          1HH1      ARG  17   8.670  -9.735  -6.399
  113   HH12  ARG  17          2HH1      ARG  17   6.943  -9.555  -6.541
  114   HH21  ARG  17          1HH2      ARG  17   6.754  -6.916  -4.209
  115   HH22  ARG  17          2HH2      ARG  17   5.849  -7.931  -5.296
  116    H    GLY  18           H        GLY  18  11.639  -3.328  -3.109
  117    HA2  GLY  18           2HA      GLY  18  12.213  -1.117  -3.678
  118    HA3  GLY  18           1HA      GLY  18  13.074  -1.723  -5.086
  119    H    ARG  19           H        ARG  19   9.978  -3.070  -4.580
  120    HA   ARG  19           HA       ARG  19   8.973  -1.789  -6.983
  121    HB2  ARG  19           2HB      ARG  19   7.717  -3.787  -5.096
  122    HB3  ARG  19           1HB      ARG  19   6.973  -3.216  -6.580
  123    HG2  ARG  19           2HG      ARG  19   9.576  -4.716  -6.422
  124    HG3  ARG  19           1HG      ARG  19   8.006  -5.423  -6.812
  125    HD2  ARG  19           2HD      ARG  19   9.388  -3.248  -8.387
  126    HD3  ARG  19           1HD      ARG  19   9.353  -4.955  -8.823
  127    HE   ARG  19           HE       ARG  19   6.719  -3.924  -8.491
  128   HH11  ARG  19          1HH1      ARG  19   9.440  -3.894 -10.685
  129   HH12  ARG  19          2HH1      ARG  19   8.465  -3.683 -12.100
  130   HH21  ARG  19          1HH2      ARG  19   5.420  -3.651 -10.355
  131   HH22  ARG  19          2HH2      ARG  19   6.175  -3.553 -11.916
  132    H    SER  20           H        SER  20   7.526  -0.184  -7.076
  133    HA   SER  20           HA       SER  20   6.814   1.218  -4.698
  134    HB2  SER  20           2HB      SER  20   7.185   2.486  -6.733
  135    HB3  SER  20           1HB      SER  20   5.925   1.590  -7.578
  136    HG   SER  20           HG       SER  20   5.680   3.499  -5.502
  137    H    TYR  21           H        TYR  21   5.348   0.477  -3.370
  138    HA   TYR  21           HA       TYR  21   2.813  -0.487  -4.477
  139    HB2  TYR  21           2HB      TYR  21   2.541  -1.992  -2.613
  140    HB3  TYR  21           1HB      TYR  21   4.102  -2.316  -3.358
  141    HD1  TYR  21           1HD      TYR  21   2.668  -0.238  -0.599
  142    HD2  TYR  21           2HD      TYR  21   5.904  -2.656  -1.916
  143    HE1  TYR  21           1HE      TYR  21   3.747   0.005   1.588
  144    HE2  TYR  21           2HE      TYR  21   6.979  -2.428   0.279
  145    HH   TYR  21           HH       TYR  21   5.342  -1.222   2.980
  146    H    TYR  22           H        TYR  22   1.136  -0.344  -2.459
  147    HA   TYR  22           HA       TYR  22   1.548   2.317  -1.286
  148    HB2  TYR  22           2HB      TYR  22  -0.892   1.238  -2.664
  149    HB3  TYR  22           1HB      TYR  22  -1.040   2.480  -1.427
  150    HD1  TYR  22           2HD      TYR  22   1.106   1.824  -4.414
  151    HD2  TYR  22           1HD      TYR  22  -1.195   4.640  -2.216
  152    HE1  TYR  22           2HE      TYR  22   1.602   3.541  -6.102
  153    HE2  TYR  22           1HE      TYR  22  -0.717   6.364  -3.900
  154    HH   TYR  22           HH       TYR  22   0.524   5.698  -6.923
  155    H    VAL  23           H        VAL  23   1.091   2.560   0.807
  156    HA   VAL  23           HA       VAL  23   0.140   0.169   2.234
  157    HB   VAL  23           HB       VAL  23   2.414   0.566   2.846
  158   HG11  VAL  23          1HG1      VAL  23   1.618   3.403   3.477
  159   HG12  VAL  23          2HG1      VAL  23   2.636   2.876   2.134
  160   HG13  VAL  23          3HG1      VAL  23   3.195   2.682   3.795
  161   HG21  VAL  23          3HG2      VAL  23   2.206   1.024   5.271
  162   HG22  VAL  23          1HG2      VAL  23   0.995  -0.112   4.675
  163   HG23  VAL  23          2HG2      VAL  23   0.547   1.562   5.001
  164    H    ASP  24           H        ASP  24  -1.699   0.303   3.236
  165    HA   ASP  24           HA       ASP  24  -3.077   2.825   3.576
  166    HB2  ASP  24           2HB      ASP  24  -4.439   0.983   2.882
  167    HB3  ASP  24           1HB      ASP  24  -3.816  -0.048   4.168
  168    H    HIS  25           H        HIS  25  -2.643   4.066   5.275
  169    HA   HIS  25           HA       HIS  25  -1.437   2.942   7.652
  170    HB2  HIS  25           2HB      HIS  25  -2.095   5.762   6.833
  171    HB3  HIS  25           1HB      HIS  25  -1.456   5.362   8.425
  172    HD1  HIS  25           1HD      HIS  25   1.016   4.954   8.624
  173    HD2  HIS  25           2HD      HIS  25  -0.262   5.254   4.675
  174    HE1  HIS  25           1HE      HIS  25   3.109   5.005   7.228
  175    HE2  HIS  25           2HE      HIS  25   2.321   5.423   4.888
  176    H    ASN  26           H        ASN  26  -4.575   3.317   6.645
  177    HA   ASN  26           HA       ASN  26  -5.797   4.207   9.068
  178    HB2  ASN  26           2HB      ASN  26  -7.017   2.654   6.768
  179    HB3  ASN  26           1HB      ASN  26  -7.913   3.461   8.051
  180   HD21  ASN  26          1HD2      ASN  26  -6.276   3.803   5.053
  181   HD22  ASN  26          2HD2      ASN  26  -6.599   5.498   4.826
  182    H    SER  27           H        SER  27  -5.321   1.035   7.561
  183    HA   SER  27           HA       SER  27  -6.066  -0.224  10.124
  184    HB2  SER  27           2HB      SER  27  -6.058  -1.485   7.375
  185    HB3  SER  27           1HB      SER  27  -6.741  -2.159   8.858
  186    HG   SER  27           HG       SER  27  -8.446  -0.906   8.671
  187    H    LYS  28           H        LYS  28  -3.495   0.562   8.201
  188    HA   LYS  28           HA       LYS  28  -1.297   0.026   8.123
  189    HB2  LYS  28           2HB      LYS  28  -1.962  -1.772  10.465
  190    HB3  LYS  28           1HB      LYS  28  -0.334  -1.483   9.865
  191    HG2  LYS  28           2HG      LYS  28  -0.463   0.833  10.465
  192    HG3  LYS  28           1HG      LYS  28  -2.171   0.673  10.891
  193    HD2  LYS  28           2HD      LYS  28  -0.875   0.676  12.906
  194    HD3  LYS  28           1HD      LYS  28  -1.509  -0.950  12.658
  195    HE2  LYS  28           2HE      LYS  28   0.772  -1.122  13.368
  196    HE3  LYS  28           1HE      LYS  28   0.678  -1.589  11.672
  197    HZ1  LYS  28           3HZ      LYS  28   1.742   0.332  10.993
  198    HZ2  LYS  28           1HZ      LYS  28   2.539  -0.002  12.451
  199    HZ3  LYS  28           2HZ      LYS  28   1.341   1.189  12.398
  200    H    THR  29           H        THR  29  -1.911  -0.866   6.061
  201    HA   THR  29           HA       THR  29  -1.390  -3.751   5.928
  202    HB   THR  29           HB       THR  29  -3.544  -2.452   4.259
  203    HG1  THR  29           1HG      THR  29  -3.621  -3.443   6.865
  204   HG21  THR  29          3HG2      THR  29  -4.223  -4.756   3.838
  205   HG22  THR  29          1HG2      THR  29  -2.948  -5.343   4.913
  206   HG23  THR  29          2HG2      THR  29  -2.528  -4.531   3.408
  207    H    THR  30           H        THR  30   0.097  -4.206   4.420
  208    HA   THR  30           HA       THR  30   0.810  -2.179   2.451
  209    HB   THR  30           HB       THR  30   2.673  -3.152   3.656
  210    HG1  THR  30           1HG      THR  30   3.778  -4.175   1.753
  211   HG21  THR  30          3HG2      THR  30   1.730  -5.278   4.311
  212   HG22  THR  30          1HG2      THR  30   3.230  -5.555   3.432
  213   HG23  THR  30          2HG2      THR  30   1.678  -5.809   2.628
  214    H    THR  31           H        THR  31   0.212  -2.322   0.356
  215    HA   THR  31           HA       THR  31  -0.477  -4.947  -0.740
  216    HB   THR  31           HB       THR  31  -2.615  -3.898   0.003
  217    HG1  THR  31           1HG      THR  31  -2.532  -5.268  -1.907
  218   HG21  THR  31          3HG2      THR  31  -1.954  -1.543  -0.320
  219   HG22  THR  31          1HG2      THR  31  -3.479  -1.926  -1.117
  220   HG23  THR  31          2HG2      THR  31  -1.998  -1.791  -2.066
  221    H    TRP  32           H        TRP  32  -0.784  -4.698  -3.196
  222    HA   TRP  32           HA       TRP  32   1.543  -3.516  -4.265
  223    HB2  TRP  32           2HB      TRP  32   0.475  -4.071  -6.506
  224    HB3  TRP  32           1HB      TRP  32   0.754  -5.420  -5.413
  225    HD1  TRP  32           HD       TRP  32  -1.426  -6.516  -4.258
  226    HE1  TRP  32           1HE      TRP  32  -3.892  -6.577  -5.014
  227    HE3  TRP  32           3HE      TRP  32  -1.304  -2.768  -7.711
  228    HZ2  TRP  32           2HZ      TRP  32  -5.563  -5.189  -6.834
  229    HZ3  TRP  32           3HZ      TRP  32  -3.360  -2.174  -8.905
  230    HH2  TRP  32           HH       TRP  32  -5.452  -3.376  -8.484
  231    H    SER  33           H        SER  33   1.093  -2.182  -6.482
  232    HA   SER  33           HA       SER  33   0.826   0.425  -5.584
  233    HB2  SER  33           2HB      SER  33   0.684   0.982  -8.049
  234    HB3  SER  33           1HB      SER  33   2.044  -0.045  -7.591
  235    HG   SER  33           HG       SER  33  -0.387  -1.204  -8.409
  236    H    LYS  34           H        LYS  34  -0.763   2.063  -6.112
  237    HA   LYS  34           HA       LYS  34  -3.200   1.593  -5.027
  238    HB2  LYS  34           2HB      LYS  34  -3.905   3.695  -5.836
  239    HB3  LYS  34           1HB      LYS  34  -2.166   3.821  -5.611
  240    HG2  LYS  34           2HG      LYS  34  -1.766   3.653  -7.950
  241    HG3  LYS  34           1HG      LYS  34  -3.440   3.204  -8.262
  242    HD2  LYS  34           2HD      LYS  34  -2.609   5.853  -7.096
  243    HD3  LYS  34           1HD      LYS  34  -2.895   5.578  -8.816
  244    HE2  LYS  34           2HE      LYS  34  -4.951   4.931  -6.725
  245    HE3  LYS  34           1HE      LYS  34  -4.829   6.537  -7.438
  246    HZ1  LYS  34           3HZ      LYS  34  -6.471   5.275  -8.616
  247    HZ2  LYS  34           1HZ      LYS  34  -5.392   3.997  -8.882
  248    HZ3  LYS  34           2HZ      LYS  34  -5.137   5.491  -9.640
  249    HA   PRO  35           HA       PRO  35  -6.017  -0.599  -7.722
  250    HB2  PRO  35           2HB      PRO  35  -8.031   1.419  -7.401
  251    HB3  PRO  35           1HB      PRO  35  -7.933  -0.142  -6.582
  252    HG2  PRO  35           2HG      PRO  35  -7.115   2.539  -5.639
  253    HG3  PRO  35           1HG      PRO  35  -7.612   1.114  -4.709
  254    HD2  PRO  35           2HD      PRO  35  -5.054   1.919  -4.784
  255    HD3  PRO  35           1HD      PRO  35  -5.488   0.195  -4.736
  256    H    THR  36           H        THR  36  -5.923  -0.533  -9.870
  257    HA   THR  36           HA       THR  36  -5.405   2.003 -11.195
  258    HB   THR  36           HB       THR  36  -5.103   0.441 -13.216
  259    HG1  THR  36           1HG      THR  36  -4.744  -1.747 -12.643
  260   HG21  THR  36          3HG2      THR  36  -3.286   0.210 -10.809
  261   HG22  THR  36          1HG2      THR  36  -3.221   1.454 -12.057
  262   HG23  THR  36          2HG2      THR  36  -2.836  -0.219 -12.459
  263    H    MET  37           H        MET  37  -7.547  -0.793 -11.653
  264    HA   MET  37           HA       MET  37  -9.660  -0.996 -12.484
  265    HB2  MET  37           2HB      MET  37  -9.732   2.006 -12.101
  266    HB3  MET  37           1HB      MET  37 -11.120   1.030 -12.548
  267    HG2  MET  37           2HG      MET  37 -11.090  -0.092 -10.439
  268    HG3  MET  37           1HG      MET  37  -9.561   0.670 -10.003
  269    HE1  MET  37           3HE      MET  37 -13.420   3.126 -10.607
  270    HE2  MET  37           1HE      MET  37 -13.309   1.402 -10.973
  271    HE3  MET  37           2HE      MET  37 -12.391   2.567 -11.926
  272    H    GLN  38           H        GLU  38 -11.101   0.540 -14.249
  273    HA   GLN  38           HA       GLU  38  -9.233   1.192 -16.417
  274    HB2  GLN  38           2HB      GLU  38 -10.950  -0.912 -16.557
  275    HB3  GLN  38           1HB      GLU  38 -11.986   0.374 -17.158
  276    HG2  GLN  38           2HG      GLU  38  -9.259  -0.234 -18.267
  277    HG3  GLN  38           1HG      GLU  38 -10.763  -0.874 -18.923
  278    H    ASP  39           H        ASP  39  -9.283   3.271 -15.444
  279    HA   ASP  39           HA       ASP  39 -11.778   4.777 -15.852
  280    HB2  ASP  39           2HB      ASP  39 -11.449   4.335 -13.450
  281    HB3  ASP  39           1HB      ASP  39  -9.834   5.023 -13.534
  282    H1   ALA  40           1HT      ALA  40  -8.039   0.067   4.389
  283    H2   ALA  40           2HT      ALA  40  -7.526   0.188   5.996
  284    H3   ALA  40           3HT      ALA  40  -7.749   1.585   5.070
  285    HA   ALA  40           HA       ALA  40  -9.545   1.219   6.655
  286    HB1  ALA  40           2HB      ALA  40 -10.447   0.962   3.790
  287    HB2  ALA  40           3HB      ALA  40  -9.900   2.456   4.550
  288    HB3  ALA  40           1HB      ALA  40 -11.355   1.652   5.137
  289    HA   PRO  41           HA       PRO  41 -11.606  -2.932   5.600
  290    HB2  PRO  41           2HB      PRO  41 -10.785  -4.481   3.579
  291    HB3  PRO  41           1HB      PRO  41 -11.873  -3.114   3.312
  292    HG2  PRO  41           2HG      PRO  41  -8.913  -3.285   2.888
  293    HG3  PRO  41           1HG      PRO  41 -10.153  -2.574   1.840
  294    HD2  PRO  41           2HD      PRO  41  -8.579  -1.107   3.527
  295    HD3  PRO  41           1HD      PRO  41 -10.212  -0.616   3.033
  296    H    LEU  42           H        LEU  42  -8.207  -2.621   5.519
  297    HA   LEU  42           HA       LEU  42  -6.465  -3.721   6.425
  298    HB2  LEU  42           2HB      LEU  42  -7.803  -3.662   8.472
  299    HB3  LEU  42           1HB      LEU  42  -8.605  -5.149   8.008
  300    HG   LEU  42           HG       LEU  42  -6.556  -6.405   8.294
  301   HD11  LEU  42          1HD1      LEU  42  -4.982  -4.691   7.511
  302   HD12  LEU  42          2HD1      LEU  42  -4.496  -5.369   9.065
  303   HD13  LEU  42          3HD1      LEU  42  -5.255  -3.777   8.994
  304   HD21  LEU  42          3HD2      LEU  42  -7.922  -6.043  10.268
  305   HD22  LEU  42          1HD2      LEU  42  -7.061  -4.540  10.599
  306   HD23  LEU  42          2HD2      LEU  42  -6.210  -6.082  10.697
  307    H    SEP  43           H        SEP  43  -8.307  -6.634   6.936
  308    HA   SEP  43           HA       SEP  43  -8.160  -8.707   6.051
  309    HB2  SEP  43           1HB      SEP  43  -8.056  -8.880   3.573
  310    HB3  SEP  43           2HB      SEP  43  -7.652  -7.159   3.488
  311    HA   PRO  44           HA       PRO  44  -3.982 -10.227   5.966
  312    HB2  PRO  44           2HB      PRO  44  -4.358 -11.571   3.355
  313    HB3  PRO  44           1HB      PRO  44  -3.877 -12.249   4.912
  314    HG2  PRO  44           2HG      PRO  44  -6.319 -12.673   3.938
  315    HG3  PRO  44           1HG      PRO  44  -6.057 -12.404   5.673
  316    HD2  PRO  44           2HD      PRO  44  -7.095 -10.517   3.592
  317    HD3  PRO  44           1HD      PRO  44  -7.623 -10.741   5.274
  318    H    MET  45           H        MET  45  -2.017  -9.491   5.372
  319    HA   MET  45           HA       MET  45  -1.855  -7.523   3.273
  320    HB2  MET  45           2HB      MET  45   0.367  -8.640   4.998
  321    HB3  MET  45           1HB      MET  45   0.465  -7.205   3.987
  322    HG2  MET  45           2HG      MET  45   0.169  -6.378   6.134
  323    HG3  MET  45           1HG      MET  45  -1.439  -6.284   5.415
  324    HE1  MET  45           3HE      MET  45  -2.276  -7.097   9.136
  325    HE2  MET  45           1HE      MET  45  -2.591  -6.034   7.767
  326    HE3  MET  45           2HE      MET  45  -0.997  -6.044   8.524
  327    H    SEP  46           H        SEP  46  -0.524  -7.634   1.416
  328    HA   SEP  46           HA       SEP  46  -0.279 -10.385   0.466
  329    HB2  SEP  46           1HB      SEP  46  -0.340  -9.399  -1.805
  330    HB3  SEP  46           2HB      SEP  46  -0.448  -7.793  -1.077
  331    HA   PRO  47           HA       PRO  47   3.961  -9.012  -0.894
  332    HB2  PRO  47           2HB      PRO  47   4.658  -6.490  -1.347
  333    HB3  PRO  47           1HB      PRO  47   3.503  -7.311  -2.407
  334    HG2  PRO  47           2HG      PRO  47   3.041  -5.237  -0.333
  335    HG3  PRO  47           1HG      PRO  47   2.146  -5.556  -1.829
  336    HD2  PRO  47           2HD      PRO  47   1.462  -6.415   0.805
  337    HD3  PRO  47           1HD      PRO  47   0.646  -6.835  -0.713
  338    HA   PRO  48           HA       PRO  48   6.420  -8.043   2.724
  339    HB2  PRO  48           2HB      PRO  48   8.846  -7.432   1.719
  340    HB3  PRO  48           1HB      PRO  48   8.191  -9.073   1.634
  341    HG2  PRO  48           2HG      PRO  48   8.232  -6.942  -0.469
  342    HG3  PRO  48           1HG      PRO  48   8.622  -8.665  -0.620
  343    HD2  PRO  48           2HD      PRO  48   6.222  -7.632  -1.352
  344    HD3  PRO  48           1HD      PRO  48   6.409  -9.285  -0.730
  345    H    GLY  49           H        GLY  49   8.666  -6.158   2.684
  346    HA2  GLY  49           2HA      GLY  49   9.102  -3.906   2.912
  347    HA3  GLY  49           1HA      GLY  49   7.571  -3.555   2.121
  348    H    TYR  50           H        TYR  50   5.846  -3.001   3.330
  349    HA   TYR  50           HA       TYR  50   6.294  -2.365   6.091
  350    HB2  TYR  50           2HB      TYR  50   4.930  -1.007   4.416
  351    HB3  TYR  50           1HB      TYR  50   3.664  -2.217   4.606
  352    HD1  TYR  50           1HD      TYR  50   5.590   0.409   6.341
  353    HD2  TYR  50           2HD      TYR  50   2.244  -2.214   6.532
  354    HE1  TYR  50           1HE      TYR  50   4.754   1.629   8.306
  355    HE2  TYR  50           2HE      TYR  50   1.397  -0.999   8.498
  356    HH   TYR  50           HH       TYR  50   2.817   2.000   9.550
  357    H    LYS  51           H        LYS  51   6.696  -4.602   6.778
  358    HA   LYS  51           HA       LYS  51   4.175  -5.920   7.511
  359    HB2  LYS  51           2HB      LYS  51   5.429  -6.978   5.507
  360    HB3  LYS  51           1HB      LYS  51   6.592  -7.517   6.709
  361    HG2  LYS  51           2HG      LYS  51   5.008  -9.271   6.230
  362    HG3  LYS  51           1HG      LYS  51   4.800  -8.703   7.890
  363    HD2  LYS  51           2HD      LYS  51   2.893  -7.365   7.225
  364    HD3  LYS  51           1HD      LYS  51   3.134  -7.819   5.538
  365    HE2  LYS  51           2HE      LYS  51   2.393  -9.659   7.810
  366    HE3  LYS  51           1HE      LYS  51   1.329  -9.117   6.508
  367    HZ1  LYS  51           3HZ      LYS  51   1.995 -11.182   5.782
  368    HZ2  LYS  51           1HZ      LYS  51   3.571 -11.029   6.401
  369    HZ3  LYS  51           2HZ      LYS  51   3.123 -10.181   5.002
  370    H    LEU  52           H        LEU  52   6.634  -4.314   8.676
  371    HA   LEU  52           HA       LEU  52   6.574  -5.740  11.193
  372    HB2  LEU  52           2HB      LEU  52   8.930  -5.897  11.516
  373    HB3  LEU  52           1HB      LEU  52   8.560  -6.664   9.987
  374    HG   LEU  52           HG       LEU  52   9.638  -3.850  10.198
  375   HD11  LEU  52          1HD1      LEU  52  11.818  -4.828   9.621
  376   HD12  LEU  52          2HD1      LEU  52  11.127  -6.441   9.796
  377   HD13  LEU  52          3HD1      LEU  52  11.239  -5.375  11.196
  378   HD21  LEU  52          3HD2      LEU  52   9.560  -5.814   7.906
  379   HD22  LEU  52          1HD2      LEU  52  10.228  -4.181   7.861
  380   HD23  LEU  52          2HD2      LEU  52   8.497  -4.420   8.096
  381    H    VAL  53           H        VAL  53   7.158  -4.422  12.988
  382    HA   VAL  53           HA       VAL  53   7.278  -1.541  12.363
  383    HB   VAL  53           HB       VAL  53   6.081  -2.804  14.842
  384   HG11  VAL  53          1HG1      VAL  53   7.008  -0.601  15.266
  385   HG12  VAL  53          2HG1      VAL  53   5.246  -0.531  15.286
  386   HG13  VAL  53          3HG1      VAL  53   6.136   0.057  13.880
  387   HG21  VAL  53          3HG2      VAL  53   3.915  -2.098  13.945
  388   HG22  VAL  53          1HG2      VAL  53   4.702  -3.266  12.882
  389   HG23  VAL  53          2HG2      VAL  53   4.703  -1.551  12.467
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1 -11.125  15.740 -14.402
    2    H2   GLY   1           2HT      GLY   1  -9.774  16.557 -15.027
    3    H3   GLY   1           3HT      GLY   1 -11.261  17.361 -14.886
    4    HA2  GLY   1           1HA      GLY   1  -9.712  18.013 -13.121
    5    HA3  GLY   1           2HA      GLY   1 -11.168  17.247 -12.497
    6    H    SER   2           H        SER   2  -8.346  15.714 -14.021
    7    HA   SER   2           HA       SER   2  -8.129  13.924 -11.753
    8    HB2  SER   2           2HB      SER   2  -7.858  13.098 -14.093
    9    HB3  SER   2           1HB      SER   2  -6.397  14.074 -14.239
   10    HG   SER   2           HG       SER   2  -5.642  12.133 -13.626
   11    H    SER   3           H        SER   3  -7.421  15.142 -10.044
   12    HA   SER   3           HA       SER   3  -5.224  16.978 -10.315
   13    HB2  SER   3           2HB      SER   3  -5.565  17.177  -7.790
   14    HB3  SER   3           1HB      SER   3  -6.927  17.644  -8.811
   15    HG   SER   3           HG       SER   3  -8.050  16.192  -7.822
   16    H    SER   4           H        SER   4  -5.629  13.680  -9.477
   17    HA   SER   4           HA       SER   4  -4.165  12.009  -8.999
   18    HB2  SER   4           2HB      SER   4  -2.654  13.122 -10.651
   19    HB3  SER   4           1HB      SER   4  -1.981  14.089  -9.339
   20    HG   SER   4           HG       SER   4  -0.823  12.452  -8.716
   21    H    GLY   5           H        GLY   5  -4.428  11.372  -6.944
   22    HA2  GLY   5           2HA      GLY   5  -2.648  12.265  -4.916
   23    HA3  GLY   5           1HA      GLY   5  -4.253  12.931  -4.662
   24    H    LEU   6           H        LEU   6  -2.299  10.552  -3.695
   25    HA   LEU   6           HA       LEU   6  -4.009   8.298  -3.648
   26    HB2  LEU   6           2HB      LEU   6  -2.490   7.573  -1.730
   27    HB3  LEU   6           1HB      LEU   6  -1.760   7.805  -3.301
   28    HG   LEU   6           HG       LEU   6  -1.000  10.092  -2.480
   29   HD11  LEU   6          1HD1      LEU   6  -1.738   8.911   0.193
   30   HD12  LEU   6          2HD1      LEU   6  -2.509  10.302  -0.570
   31   HD13  LEU   6          3HD1      LEU   6  -0.820  10.394  -0.075
   32   HD21  LEU   6          3HD2      LEU   6   0.910   9.170  -1.310
   33   HD22  LEU   6          1HD2      LEU   6   0.480   8.164  -2.691
   34   HD23  LEU   6          2HD2      LEU   6   0.044   7.653  -1.061
   35    HA   PRO   7           HA       PRO   7  -6.930   9.242  -0.486
   36    HB2  PRO   7           2HB      PRO   7  -6.446   6.562   0.687
   37    HB3  PRO   7           1HB      PRO   7  -7.937   7.261   0.049
   38    HG2  PRO   7           2HG      PRO   7  -6.617   5.370  -1.294
   39    HG3  PRO   7           1HG      PRO   7  -7.426   6.705  -2.136
   40    HD2  PRO   7           2HD      PRO   7  -4.522   6.327  -1.525
   41    HD3  PRO   7           1HD      PRO   7  -5.289   6.945  -2.999
   42    HA   PRO   8           HA       PRO   8  -4.735  10.695   3.072
   43    HB2  PRO   8           2HB      PRO   8  -7.267  10.100   4.513
   44    HB3  PRO   8           1HB      PRO   8  -6.350  11.607   4.426
   45    HG2  PRO   8           2HG      PRO   8  -8.620  11.312   3.067
   46    HG3  PRO   8           1HG      PRO   8  -7.246  12.189   2.371
   47    HD2  PRO   8           2HD      PRO   8  -8.232   9.435   1.792
   48    HD3  PRO   8           1HD      PRO   8  -7.546  10.643   0.689
   49    H    GLY   9           H        GLY   9  -3.267   9.474   4.054
   50    HA2  GLY   9           2HA      GLY   9  -2.677   8.000   5.840
   51    HA3  GLY   9           1HA      GLY   9  -4.177   7.127   5.571
   52    H    TRP  10           H        TRP  10  -2.785   7.783   2.599
   53    HA   TRP  10           HA       TRP  10  -1.638   5.083   2.524
   54    HB2  TRP  10           2HB      TRP  10  -2.777   6.869   0.384
   55    HB3  TRP  10           1HB      TRP  10  -1.751   5.496  -0.019
   56    HD1  TRP  10           HD       TRP  10  -4.604   5.629   2.609
   57    HE1  TRP  10           1HE      TRP  10  -6.281   3.763   2.039
   58    HE3  TRP  10           3HE      TRP  10  -2.489   3.939  -1.722
   59    HZ2  TRP  10           2HZ      TRP  10  -6.669   1.841   0.003
   60    HZ3  TRP  10           3HZ      TRP  10  -3.569   2.081  -2.921
   61    HH2  TRP  10           HH       TRP  10  -5.620   1.057  -2.074
   62    H    GLU  11           H        GLU  11   0.422   4.694   2.023
   63    HA   GLU  11           HA       GLU  11   2.122   6.971   1.216
   64    HB2  GLU  11           2HB      GLU  11   2.882   4.511   2.797
   65    HB3  GLU  11           1HB      GLU  11   4.007   5.740   2.252
   66    HG2  GLU  11           2HG      GLU  11   1.724   6.231   4.135
   67    HG3  GLU  11           1HG      GLU  11   3.378   5.898   4.635
   68    H    GLU  12           H        GLU  12   3.470   6.687  -0.520
   69    HA   GLU  12           HA       GLU  12   3.232   4.112  -1.946
   70    HB2  GLU  12           2HB      GLU  12   2.288   6.020  -3.180
   71    HB3  GLU  12           1HB      GLU  12   3.817   6.877  -3.040
   72    HG2  GLU  12           2HG      GLU  12   4.878   5.003  -4.325
   73    HG3  GLU  12           1HG      GLU  12   3.254   4.379  -4.611
   74    H    LYS  13           H        LYS  13   4.997   2.930  -1.443
   75    HA   LYS  13           HA       LYS  13   7.599   4.084  -2.025
   76    HB2  LYS  13           2HB      LYS  13   8.626   3.495   0.050
   77    HB3  LYS  13           1HB      LYS  13   7.212   4.468   0.420
   78    HG2  LYS  13           2HG      LYS  13   5.971   2.502   1.071
   79    HG3  LYS  13           1HG      LYS  13   7.314   1.461   0.582
   80    HD2  LYS  13           2HD      LYS  13   8.729   2.691   2.266
   81    HD3  LYS  13           1HD      LYS  13   7.244   3.455   2.839
   82    HE2  LYS  13           2HE      LYS  13   6.313   1.315   3.420
   83    HE3  LYS  13           1HE      LYS  13   7.697   0.481   2.714
   84    HZ1  LYS  13           3HZ      LYS  13   7.963   0.572   5.078
   85    HZ2  LYS  13           1HZ      LYS  13   7.721   2.248   5.098
   86    HZ3  LYS  13           2HZ      LYS  13   9.109   1.600   4.376
   87    H    GLN  14           H        GLN  14   9.312   2.360  -1.936
   88    HA   GLN  14           HA       GLN  14   8.249   0.088  -3.402
   89    HB2  GLN  14           2HB      GLN  14  10.452  -0.238  -4.227
   90    HB3  GLN  14           1HB      GLN  14  10.166   1.495  -4.235
   91    HG2  GLN  14           2HG      GLN  14  11.750  -0.019  -2.162
   92    HG3  GLN  14           1HG      GLN  14  12.422   0.927  -3.488
   93   HE21  GLN  14          1HE2      GLN  14  10.837   1.036  -0.393
   94   HE22  GLN  14          2HE2      GLN  14  11.113   2.725  -0.089
   95    H    ASP  15           H        ASP  15   9.224  -2.110  -3.030
   96    HA   ASP  15           HA       ASP  15   9.254  -2.665  -0.166
   97    HB2  ASP  15           2HB      ASP  15   8.902  -4.950  -0.717
   98    HB3  ASP  15           1HB      ASP  15   7.894  -4.034  -1.838
   99    H    ASP  16           H        ASP  16  10.866  -5.008  -0.274
  100    HA   ASP  16           HA       ASP  16  13.465  -3.935   0.026
  101    HB2  ASP  16           2HB      ASP  16  12.688  -5.929   1.248
  102    HB3  ASP  16           1HB      ASP  16  12.599  -6.826  -0.265
  103    H    ARG  17           H        ARG  17  11.731  -5.134  -2.685
  104    HA   ARG  17           HA       ARG  17  14.123  -5.582  -4.292
  105    HB2  ARG  17           2HB      ARG  17  11.197  -5.783  -5.015
  106    HB3  ARG  17           1HB      ARG  17  12.540  -6.308  -6.013
  107    HG2  ARG  17           2HG      ARG  17  13.095  -8.039  -4.470
  108    HG3  ARG  17           1HG      ARG  17  11.925  -7.427  -3.300
  109    HD2  ARG  17           2HD      ARG  17  10.152  -7.830  -5.047
  110    HD3  ARG  17           1HD      ARG  17  11.381  -8.705  -5.966
  111    HE   ARG  17           HE       ARG  17  10.647  -9.467  -3.222
  112   HH11  ARG  17          1HH1      ARG  17  11.191 -10.275  -6.583
  113   HH12  ARG  17          2HH1      ARG  17  11.009 -11.984  -6.334
  114   HH21  ARG  17          1HH2      ARG  17  10.386 -11.706  -2.886
  115   HH22  ARG  17          2HH2      ARG  17  10.533 -12.803  -4.226
  116    H    GLY  18           H        GLY  18  11.158  -3.623  -4.468
  117    HA2  GLY  18           2HA      GLY  18  11.901  -1.197  -5.157
  118    HA3  GLY  18           1HA      GLY  18  12.371  -2.050  -6.618
  119    H    ARG  19           H        ARG  19   9.693  -3.525  -5.240
  120    HA   ARG  19           HA       ARG  19   7.894  -2.580  -7.253
  121    HB2  ARG  19           2HB      ARG  19   7.497  -4.258  -4.770
  122    HB3  ARG  19           1HB      ARG  19   6.170  -3.819  -5.834
  123    HG2  ARG  19           2HG      ARG  19   7.170  -5.017  -7.656
  124    HG3  ARG  19           1HG      ARG  19   8.609  -5.357  -6.689
  125    HD2  ARG  19           2HD      ARG  19   7.061  -7.286  -6.800
  126    HD3  ARG  19           1HD      ARG  19   7.315  -6.703  -5.157
  127    HE   ARG  19           HE       ARG  19   5.032  -5.451  -6.197
  128   HH11  ARG  19          1HH1      ARG  19   6.038  -8.698  -5.346
  129   HH12  ARG  19          2HH1      ARG  19   4.461  -9.182  -4.798
  130   HH21  ARG  19          1HH2      ARG  19   2.944  -6.099  -5.482
  131   HH22  ARG  19          2HH2      ARG  19   2.699  -7.711  -4.880
  132    H    SER  20           H        SER  20   7.221  -0.498  -7.167
  133    HA   SER  20           HA       SER  20   6.864   0.948  -4.739
  134    HB2  SER  20           2HB      SER  20   5.728   1.541  -7.485
  135    HB3  SER  20           1HB      SER  20   5.887   2.684  -6.149
  136    HG   SER  20           HG       SER  20   7.774   3.090  -6.961
  137    H    TYR  21           H        TYR  21   5.370   0.363  -3.323
  138    HA   TYR  21           HA       TYR  21   2.715  -0.419  -4.312
  139    HB2  TYR  21           2HB      TYR  21   2.511  -1.878  -2.332
  140    HB3  TYR  21           1HB      TYR  21   3.863  -2.344  -3.358
  141    HD1  TYR  21           1HD      TYR  21   3.147  -0.235  -0.356
  142    HD2  TYR  21           2HD      TYR  21   5.905  -2.807  -2.328
  143    HE1  TYR  21           1HE      TYR  21   4.647  -0.121   1.585
  144    HE2  TYR  21           2HE      TYR  21   7.405  -2.702  -0.385
  145    HH   TYR  21           HH       TYR  21   7.823  -1.046   1.498
  146    H    TYR  22           H        TYR  22   1.171  -0.344  -2.202
  147    HA   TYR  22           HA       TYR  22   1.509   2.347  -1.083
  148    HB2  TYR  22           2HB      TYR  22  -1.052   1.138  -2.147
  149    HB3  TYR  22           1HB      TYR  22  -0.910   2.703  -1.350
  150    HD1  TYR  22           2HD      TYR  22  -0.053   0.799  -4.388
  151    HD2  TYR  22           1HD      TYR  22  -0.106   4.618  -2.526
  152    HE1  TYR  22           2HE      TYR  22   0.398   1.859  -6.559
  153    HE2  TYR  22           1HE      TYR  22   0.341   5.691  -4.689
  154    HH   TYR  22           HH       TYR  22   0.000   4.096  -7.623
  155    H    VAL  23           H        VAL  23   1.413   2.380   1.057
  156    HA   VAL  23           HA       VAL  23   0.085   0.116   2.380
  157    HB   VAL  23           HB       VAL  23   2.445   0.164   2.947
  158   HG11  VAL  23          1HG1      VAL  23   3.437   2.010   4.200
  159   HG12  VAL  23          2HG1      VAL  23   1.956   2.947   3.980
  160   HG13  VAL  23          3HG1      VAL  23   2.938   2.499   2.580
  161   HG21  VAL  23          3HG2      VAL  23   0.914  -0.614   4.638
  162   HG22  VAL  23          1HG2      VAL  23   0.663   1.035   5.216
  163   HG23  VAL  23          2HG2      VAL  23   2.241   0.265   5.403
  164    H    ASP  24           H        ASP  24  -1.653   0.490   3.527
  165    HA   ASP  24           HA       ASP  24  -2.557   3.242   3.883
  166    HB2  ASP  24           2HB      ASP  24  -4.061   1.517   2.896
  167    HB3  ASP  24           1HB      ASP  24  -3.989   0.627   4.413
  168    H    HIS  25           H        HIS  25  -2.453   4.263   5.772
  169    HA   HIS  25           HA       HIS  25  -1.065   3.041   7.947
  170    HB2  HIS  25           2HB      HIS  25  -2.370   5.741   7.646
  171    HB3  HIS  25           1HB      HIS  25  -1.573   5.230   9.128
  172    HD1  HIS  25           1HD      HIS  25   1.070   4.417   8.640
  173    HD2  HIS  25           2HD      HIS  25  -0.726   7.090   6.006
  174    HE1  HIS  25           1HE      HIS  25   2.955   5.587   7.457
  175    HE2  HIS  25           2HE      HIS  25   1.848   7.242   5.917
  176    H    ASN  26           H        ASN  26  -4.426   3.416   7.183
  177    HA   ASN  26           HA       ASN  26  -5.411   3.749   9.826
  178    HB2  ASN  26           2HB      ASN  26  -6.832   2.641   7.392
  179    HB3  ASN  26           1HB      ASN  26  -7.608   3.138   8.890
  180   HD21  ASN  26          1HD2      ASN  26  -5.987   4.227   6.005
  181   HD22  ASN  26          2HD2      ASN  26  -6.440   5.897   6.153
  182    H    SER  27           H        SER  27  -5.319   0.859   7.743
  183    HA   SER  27           HA       SER  27  -5.837  -0.763  10.122
  184    HB2  SER  27           2HB      SER  27  -6.163  -1.427   7.187
  185    HB3  SER  27           1HB      SER  27  -6.635  -2.453   8.543
  186    HG   SER  27           HG       SER  27  -8.475  -1.447   8.310
  187    H    LYS  28           H        LYS  28  -3.303   0.429   8.738
  188    HA   LYS  28           HA       LYS  28  -1.143  -0.131   8.351
  189    HB2  LYS  28           2HB      LYS  28  -1.885  -2.001  10.595
  190    HB3  LYS  28           1HB      LYS  28  -0.235  -1.831  10.011
  191    HG2  LYS  28           2HG      LYS  28  -0.257   0.532  10.567
  192    HG3  LYS  28           1HG      LYS  28  -1.932   0.404  11.107
  193    HD2  LYS  28           2HD      LYS  28   0.375  -1.124  12.315
  194    HD3  LYS  28           1HD      LYS  28  -0.262   0.388  12.957
  195    HE2  LYS  28           2HE      LYS  28  -1.765  -2.215  12.676
  196    HE3  LYS  28           1HE      LYS  28  -1.195  -1.484  14.179
  197    HZ1  LYS  28           3HZ      LYS  28  -3.290  -0.439  12.359
  198    HZ2  LYS  28           1HZ      LYS  28  -2.647   0.448  13.651
  199    HZ3  LYS  28           2HZ      LYS  28  -3.489  -0.987  13.948
  200    H    THR  29           H        THR  29  -2.581  -1.138   6.363
  201    HA   THR  29           HA       THR  29  -1.421  -3.786   5.915
  202    HB   THR  29           HB       THR  29  -4.199  -2.886   5.118
  203    HG1  THR  29           1HG      THR  29  -3.910  -3.495   7.363
  204   HG21  THR  29          3HG2      THR  29  -3.187  -4.331   3.434
  205   HG22  THR  29          1HG2      THR  29  -4.463  -5.190   4.302
  206   HG23  THR  29          2HG2      THR  29  -2.768  -5.506   4.677
  207    H    THR  30           H        THR  30  -0.273  -3.911   4.110
  208    HA   THR  30           HA       THR  30  -0.367  -1.606   2.306
  209    HB   THR  30           HB       THR  30   1.730  -1.661   3.411
  210    HG1  THR  30           1HG      THR  30   1.635  -1.493   0.991
  211   HG21  THR  30          3HG2      THR  30   3.220  -3.616   3.393
  212   HG22  THR  30          1HG2      THR  30   1.965  -4.558   2.589
  213   HG23  THR  30          2HG2      THR  30   1.706  -3.965   4.228
  214    H    THR  31           H        THR  31  -1.447  -2.075   0.528
  215    HA   THR  31           HA       THR  31  -1.040  -4.709  -0.720
  216    HB   THR  31           HB       THR  31  -3.310  -4.613   0.037
  217    HG1  THR  31           1HG      THR  31  -4.099  -3.986  -2.451
  218   HG21  THR  31          3HG2      THR  31  -3.557  -2.237   0.397
  219   HG22  THR  31          1HG2      THR  31  -4.850  -2.798  -0.663
  220   HG23  THR  31          2HG2      THR  31  -3.472  -1.929  -1.339
  221    H    TRP  32           H        TRP  32  -0.652  -4.753  -2.950
  222    HA   TRP  32           HA       TRP  32   0.158  -2.222  -4.093
  223    HB2  TRP  32           2HB      TRP  32   1.199  -4.627  -4.449
  224    HB3  TRP  32           1HB      TRP  32  -0.035  -4.752  -5.697
  225    HD1  TRP  32           HD       TRP  32   3.432  -4.012  -5.465
  226    HE1  TRP  32           1HE      TRP  32   4.268  -2.494  -7.374
  227    HE3  TRP  32           3HE      TRP  32  -1.067  -2.244  -7.144
  228    HZ2  TRP  32           2HZ      TRP  32   3.165  -0.766  -9.316
  229    HZ3  TRP  32           3HZ      TRP  32  -1.088  -0.658  -9.018
  230    HH2  TRP  32           HH       TRP  32   0.986   0.064 -10.084
  231    H    SER  33           H        SER  33  -1.731  -1.065  -4.275
  232    HA   SER  33           HA       SER  33  -3.468  -1.911  -6.477
  233    HB2  SER  33           2HB      SER  33  -4.469  -0.615  -3.928
  234    HB3  SER  33           1HB      SER  33  -5.445  -1.127  -5.305
  235    HG   SER  33           HG       SER  33  -4.100  -3.242  -4.636
  236    H    LYS  34           H        LYS  34  -3.706  -0.330  -7.981
  237    HA   LYS  34           HA       LYS  34  -2.451   2.235  -7.457
  238    HB2  LYS  34           2HB      LYS  34  -2.530   0.738  -9.681
  239    HB3  LYS  34           1HB      LYS  34  -3.941   1.737  -9.990
  240    HG2  LYS  34           2HG      LYS  34  -1.228   2.859  -9.343
  241    HG3  LYS  34           1HG      LYS  34  -1.797   2.555 -10.984
  242    HD2  LYS  34           2HD      LYS  34  -2.791   4.543 -10.991
  243    HD3  LYS  34           1HD      LYS  34  -3.814   4.022  -9.648
  244    HE2  LYS  34           2HE      LYS  34  -2.535   6.127  -9.229
  245    HE3  LYS  34           1HE      LYS  34  -2.253   4.848  -8.048
  246    HZ1  LYS  34           3HZ      LYS  34  -0.461   5.294 -10.366
  247    HZ2  LYS  34           1HZ      LYS  34  -0.159   4.391  -8.969
  248    HZ3  LYS  34           2HZ      LYS  34  -0.234   6.074  -8.879
  249    HA   PRO  35           HA       PRO  35  -6.475   3.532  -6.028
  250    HB2  PRO  35           2HB      PRO  35  -5.654   5.773  -4.761
  251    HB3  PRO  35           1HB      PRO  35  -5.400   4.159  -4.089
  252    HG2  PRO  35           2HG      PRO  35  -3.482   5.953  -5.504
  253    HG3  PRO  35           1HG      PRO  35  -3.204   4.879  -4.121
  254    HD2  PRO  35           2HD      PRO  35  -2.534   4.287  -6.732
  255    HD3  PRO  35           1HD      PRO  35  -2.805   3.075  -5.467
  256    H    THR  36           H        THR  36  -8.012   4.865  -6.801
  257    HA   THR  36           HA       THR  36  -9.059   6.523  -7.939
  258    HB   THR  36           HB       THR  36  -6.319   7.777  -8.262
  259    HG1  THR  36           1HG      THR  36  -8.101   7.614  -6.171
  260   HG21  THR  36          3HG2      THR  36  -7.893   8.649  -9.898
  261   HG22  THR  36          1HG2      THR  36  -7.601   9.858  -8.647
  262   HG23  THR  36          2HG2      THR  36  -9.093   8.916  -8.633
  263    H    MET  37           H        MET  37  -9.663   6.914 -10.048
  264    HA   MET  37           HA       MET  37  -9.847   6.587 -12.287
  265    HB2  MET  37           2HB      MET  37  -6.943   5.846 -12.034
  266    HB3  MET  37           1HB      MET  37  -7.818   5.618 -13.541
  267    HG2  MET  37           2HG      MET  37  -7.532   8.240 -12.100
  268    HG3  MET  37           1HG      MET  37  -6.546   7.714 -13.466
  269    HE1  MET  37           3HE      MET  37  -7.124   9.838 -14.907
  270    HE2  MET  37           1HE      MET  37  -8.026  10.466 -13.528
  271    HE3  MET  37           2HE      MET  37  -8.762  10.450 -15.130
  272    H    GLN  38           H        GLU  38  -9.098   4.502 -13.901
  273    HA   GLN  38           HA       GLU  38  -9.546   2.032 -12.485
  274    HB2  GLN  38           2HB      GLU  38 -11.581   1.472 -13.834
  275    HB3  GLN  38           1HB      GLU  38 -11.818   2.725 -12.624
  276    HG2  GLN  38           2HG      GLU  38 -11.659   4.434 -14.361
  277    HG3  GLN  38           1HG      GLU  38 -11.424   3.177 -15.575
  278    H    ASP  39           H        ASP  39  -7.885   0.991 -13.336
  279    HA   ASP  39           HA       ASP  39  -7.586   0.975 -16.258
  280    HB2  ASP  39           2HB      ASP  39  -5.611   0.580 -14.023
  281    HB3  ASP  39           1HB      ASP  39  -5.280  -0.061 -15.626
  282    H1   ALA  40           1HT      ALA  40 -11.490  -4.151   5.035
  283    H2   ALA  40           2HT      ALA  40 -11.599  -3.224   6.455
  284    H3   ALA  40           3HT      ALA  40 -11.753  -4.908   6.528
  285    HA   ALA  40           HA       ALA  40  -9.489  -5.233   5.918
  286    HB1  ALA  40           2HB      ALA  40  -9.389  -3.341   4.348
  287    HB2  ALA  40           3HB      ALA  40  -8.010  -3.378   5.445
  288    HB3  ALA  40           1HB      ALA  40  -9.320  -2.230   5.715
  289    HA   PRO  41           HA       PRO  41  -9.190  -4.290  10.368
  290    HB2  PRO  41           2HB      PRO  41  -8.273  -6.984  10.774
  291    HB3  PRO  41           1HB      PRO  41  -9.818  -6.277  11.247
  292    HG2  PRO  41           2HG      PRO  41  -9.514  -8.231   9.315
  293    HG3  PRO  41           1HG      PRO  41 -10.899  -7.132   9.433
  294    HD2  PRO  41           2HD      PRO  41  -8.509  -6.988   7.638
  295    HD3  PRO  41           1HD      PRO  41 -10.208  -6.590   7.293
  296    H    LEU  42           H        LEU  42  -6.942  -6.889   9.770
  297    HA   LEU  42           HA       LEU  42  -4.676  -5.020   9.603
  298    HB2  LEU  42           2HB      LEU  42  -5.091  -7.233  11.610
  299    HB3  LEU  42           1HB      LEU  42  -3.472  -6.865  11.063
  300    HG   LEU  42           HG       LEU  42  -3.781  -5.757  13.130
  301   HD11  LEU  42          1HD1      LEU  42  -2.570  -4.483  11.487
  302   HD12  LEU  42          2HD1      LEU  42  -3.506  -3.406  12.524
  303   HD13  LEU  42          3HD1      LEU  42  -4.070  -3.769  10.893
  304   HD21  LEU  42          3HD2      LEU  42  -6.217  -5.789  13.235
  305   HD22  LEU  42          1HD2      LEU  42  -6.293  -4.524  12.005
  306   HD23  LEU  42          2HD2      LEU  42  -5.583  -4.180  13.583
  307    H    SEP  43           H        SEP  43  -5.915  -6.357   7.535
  308    HA   SEP  43           HA       SEP  43  -5.433  -8.971   6.974
  309    HB2  SEP  43           1HB      SEP  43  -5.730  -8.326   4.608
  310    HB3  SEP  43           2HB      SEP  43  -5.506  -6.632   5.066
  311    HA   PRO  44           HA       PRO  44  -1.069  -9.387   6.057
  312    HB2  PRO  44           2HB      PRO  44  -1.764 -11.929   4.814
  313    HB3  PRO  44           1HB      PRO  44  -0.860 -11.632   6.300
  314    HG2  PRO  44           2HG      PRO  44  -3.348 -12.731   6.277
  315    HG3  PRO  44           1HG      PRO  44  -2.738 -11.745   7.618
  316    HD2  PRO  44           2HD      PRO  44  -4.569 -10.977   5.373
  317    HD3  PRO  44           1HD      PRO  44  -4.662 -10.556   7.097
  318    H    MET  45           H        MET  45   0.277  -9.438   4.169
  319    HA   MET  45           HA       MET  45  -1.043  -9.298   1.585
  320    HB2  MET  45           2HB      MET  45   0.245  -6.914   2.911
  321    HB3  MET  45           1HB      MET  45   0.030  -7.020   1.171
  322    HG2  MET  45           2HG      MET  45  -2.222  -7.225   3.152
  323    HG3  MET  45           1HG      MET  45  -1.739  -5.721   2.356
  324    HE1  MET  45           3HE      MET  45  -4.670  -7.204   2.322
  325    HE2  MET  45           1HE      MET  45  -5.150  -6.916   0.650
  326    HE3  MET  45           2HE      MET  45  -4.390  -5.627   1.584
  327    H    SEP  46           H        SEP  46   0.939  -8.192   0.061
  328    HA   SEP  46           HA       SEP  46   2.967 -10.271   0.235
  329    HB2  SEP  46           1HB      SEP  46   3.657  -9.539  -2.019
  330    HB3  SEP  46           2HB      SEP  46   2.464  -8.241  -1.951
  331    HA   PRO  47           HA       PRO  47   5.656  -6.033  -0.199
  332    HB2  PRO  47           2HB      PRO  47   3.781  -4.659   1.693
  333    HB3  PRO  47           1HB      PRO  47   4.889  -3.956   0.504
  334    HG2  PRO  47           2HG      PRO  47   2.321  -4.185  -0.071
  335    HG3  PRO  47           1HG      PRO  47   3.547  -4.563  -1.300
  336    HD2  PRO  47           2HD      PRO  47   1.806  -6.394   0.279
  337    HD3  PRO  47           1HD      PRO  47   2.473  -6.600  -1.352
  338    HA   PRO  48           HA       PRO  48   7.364  -7.733   3.549
  339    HB2  PRO  48           2HB      PRO  48   9.932  -6.831   2.712
  340    HB3  PRO  48           1HB      PRO  48   9.263  -8.452   2.556
  341    HG2  PRO  48           2HG      PRO  48   9.835  -6.696   0.460
  342    HG3  PRO  48           1HG      PRO  48   8.843  -8.161   0.355
  343    HD2  PRO  48           2HD      PRO  48   8.031  -5.320   0.531
  344    HD3  PRO  48           1HD      PRO  48   7.213  -6.686  -0.249
  345    H    GLY  49           H        GLY  49   6.176  -5.164   3.732
  346    HA2  GLY  49           2HA      GLY  49   7.938  -3.980   5.719
  347    HA3  GLY  49           1HA      GLY  49   7.534  -2.946   4.353
  348    H    TYR  50           H        TYR  50   6.870  -2.731   7.214
  349    HA   TYR  50           HA       TYR  50   5.170  -1.862   8.442
  350    HB2  TYR  50           2HB      TYR  50   4.311  -1.301   5.874
  351    HB3  TYR  50           1HB      TYR  50   2.957  -2.207   6.555
  352    HD1  TYR  50           2HD      TYR  50   1.922  -1.381   8.718
  353    HD2  TYR  50           1HD      TYR  50   4.691   0.944   6.469
  354    HE1  TYR  50           2HE      TYR  50   1.161   0.652   9.880
  355    HE2  TYR  50           1HE      TYR  50   3.938   2.975   7.628
  356    HH   TYR  50           HH       TYR  50   1.790   3.730   8.809
  357    H    LYS  51           H        LYS  51   3.863  -4.445   6.357
  358    HA   LYS  51           HA       LYS  51   2.692  -5.683   8.755
  359    HB2  LYS  51           2HB      LYS  51   1.159  -5.239   6.857
  360    HB3  LYS  51           1HB      LYS  51   2.153  -6.257   5.826
  361    HG2  LYS  51           2HG      LYS  51   0.096  -7.360   6.643
  362    HG3  LYS  51           1HG      LYS  51   1.575  -8.209   7.091
  363    HD2  LYS  51           2HD      LYS  51  -0.039  -8.117   8.943
  364    HD3  LYS  51           1HD      LYS  51   1.459  -7.275   9.329
  365    HE2  LYS  51           2HE      LYS  51  -0.413  -5.968  10.095
  366    HE3  LYS  51           1HE      LYS  51   0.371  -5.136   8.753
  367    HZ1  LYS  51           3HZ      LYS  51  -1.951  -5.014   8.418
  368    HZ2  LYS  51           1HZ      LYS  51  -2.164  -6.674   8.683
  369    HZ3  LYS  51           2HZ      LYS  51  -1.368  -6.132   7.292
  370    H    LEU  52           H        LEU  52   4.404  -6.742   9.635
  371    HA   LEU  52           HA       LEU  52   5.888  -8.629   7.936
  372    HB2  LEU  52           2HB      LEU  52   6.635  -7.452  10.618
  373    HB3  LEU  52           1HB      LEU  52   7.615  -8.570   9.689
  374    HG   LEU  52           HG       LEU  52   6.865  -5.778   8.805
  375   HD11  LEU  52          1HD1      LEU  52   8.392  -5.770  10.718
  376   HD12  LEU  52          2HD1      LEU  52   9.199  -5.223   9.251
  377   HD13  LEU  52          3HD1      LEU  52   9.480  -6.854   9.855
  378   HD21  LEU  52          3HD2      LEU  52   8.792  -7.763   7.608
  379   HD22  LEU  52          1HD2      LEU  52   8.482  -6.126   7.027
  380   HD23  LEU  52          2HD2      LEU  52   7.208  -7.346   6.950
  381    H    VAL  53           H        VAL  53   6.498 -10.673   8.938
  382    HA   VAL  53           HA       VAL  53   4.598 -11.571  11.009
  383    HB   VAL  53           HB       VAL  53   5.736 -13.335   8.832
  384   HG11  VAL  53          1HG1      VAL  53   5.077 -14.504  10.857
  385   HG12  VAL  53          2HG1      VAL  53   3.978 -14.891   9.536
  386   HG13  VAL  53          3HG1      VAL  53   3.483 -13.756  10.791
  387   HG21  VAL  53          3HG2      VAL  53   3.549 -13.235   7.738
  388   HG22  VAL  53          1HG2      VAL  53   4.298 -11.638   7.803
  389   HG23  VAL  53          2HG2      VAL  53   3.001 -12.052   8.928
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1   4.051  16.943 -11.447
    2    H2   GLY   1           2HT      GLY   1   2.915  16.042 -12.331
    3    H3   GLY   1           3HT      GLY   1   4.557  15.963 -12.738
    4    HA2  GLY   1           1HA      GLY   1   3.876  13.982 -11.539
    5    HA3  GLY   1           2HA      GLY   1   5.078  14.904 -10.642
    6    H    SER   2           H        SER   2   1.748  13.914 -10.825
    7    HA   SER   2           HA       SER   2   1.368  14.707  -8.041
    8    HB2  SER   2           2HB      SER   2  -0.882  15.685  -8.634
    9    HB3  SER   2           1HB      SER   2   0.499  16.625  -9.206
   10    HG   SER   2           HG       SER   2  -1.074  14.804 -10.725
   11    H    SER   3           H        SER   3   1.326  12.537  -7.484
   12    HA   SER   3           HA       SER   3  -0.564  10.772  -8.784
   13    HB2  SER   3           2HB      SER   3   0.386   9.184  -6.924
   14    HB3  SER   3           1HB      SER   3   1.407   9.637  -8.290
   15    HG   SER   3           HG       SER   3   2.214   9.837  -5.973
   16    H    SER   4           H        SER   4  -2.588  11.455  -8.272
   17    HA   SER   4           HA       SER   4  -3.379  11.068  -5.477
   18    HB2  SER   4           2HB      SER   4  -5.079  12.975  -5.942
   19    HB3  SER   4           1HB      SER   4  -3.409  13.412  -5.579
   20    HG   SER   4           HG       SER   4  -3.047  13.824  -7.718
   21    H    GLY   5           H        GLY   5  -5.430  10.167  -5.186
   22    HA2  GLY   5           2HA      GLY   5  -7.562   9.722  -6.594
   23    HA3  GLY   5           1HA      GLY   5  -6.434   8.837  -7.611
   24    H    LEU   6           H        LEU   6  -5.041   8.309  -4.843
   25    HA   LEU   6           HA       LEU   6  -6.004   5.690  -4.515
   26    HB2  LEU   6           2HB      LEU   6  -4.650   5.719  -2.393
   27    HB3  LEU   6           1HB      LEU   6  -3.777   6.061  -3.868
   28    HG   LEU   6           HG       LEU   6  -4.021   8.537  -3.243
   29   HD11  LEU   6          1HD1      LEU   6  -5.741   8.261  -1.523
   30   HD12  LEU   6          2HD1      LEU   6  -4.286   9.023  -0.875
   31   HD13  LEU   6          3HD1      LEU   6  -4.611   7.319  -0.551
   32   HD21  LEU   6          3HD2      LEU   6  -2.353   6.699  -1.531
   33   HD22  LEU   6          1HD2      LEU   6  -2.067   8.422  -1.769
   34   HD23  LEU   6          2HD2      LEU   6  -1.923   7.310  -3.129
   35    HA   PRO   7           HA       PRO   7  -9.515   6.120  -1.900
   36    HB2  PRO   7           2HB      PRO   7  -8.624   3.689  -0.472
   37    HB3  PRO   7           1HB      PRO   7 -10.091   3.956  -1.420
   38    HG2  PRO   7           2HG      PRO   7  -8.124   2.405  -2.355
   39    HG3  PRO   7           1HG      PRO   7  -9.033   3.481  -3.433
   40    HD2  PRO   7           2HD      PRO   7  -6.329   3.882  -2.200
   41    HD3  PRO   7           1HD      PRO   7  -6.852   4.162  -3.873
   42    HA   PRO   8           HA       PRO   8  -8.226   8.219   1.790
   43    HB2  PRO   8           2HB      PRO   8 -10.451   7.580   3.352
   44    HB3  PRO   8           1HB      PRO   8 -10.318   8.963   2.263
   45    HG2  PRO   8           2HG      PRO   8 -11.609   6.312   1.815
   46    HG3  PRO   8           1HG      PRO   8 -12.119   7.920   1.266
   47    HD2  PRO   8           2HD      PRO   8 -10.957   6.181  -0.405
   48    HD3  PRO   8           1HD      PRO   8 -10.623   7.922  -0.510
   49    H    GLY   9           H        GLY   9  -6.807   7.557   3.245
   50    HA2  GLY   9           2HA      GLY   9  -6.226   6.316   5.212
   51    HA3  GLY   9           1HA      GLY   9  -7.257   5.013   4.642
   52    H    TRP  10           H        TRP  10  -6.036   5.523   1.873
   53    HA   TRP  10           HA       TRP  10  -3.772   3.725   2.214
   54    HB2  TRP  10           2HB      TRP  10  -5.071   4.859  -0.279
   55    HB3  TRP  10           1HB      TRP  10  -3.719   3.736  -0.291
   56    HD1  TRP  10           HD       TRP  10  -6.921   3.454   1.872
   57    HE1  TRP  10           1HE      TRP  10  -8.091   1.242   1.284
   58    HE3  TRP  10           3HE      TRP  10  -3.886   1.902  -1.931
   59    HZ2  TRP  10           2HZ      TRP  10  -7.781  -0.884  -0.552
   60    HZ3  TRP  10           3HZ      TRP  10  -4.386  -0.222  -3.059
   61    HH2  TRP  10           HH       TRP  10  -6.295  -1.591  -2.381
   62    H    GLU  11           H        GLU  11  -1.660   4.226   1.718
   63    HA   GLU  11           HA       GLU  11  -1.077   7.022   1.001
   64    HB2  GLU  11           2HB      GLU  11  -0.734   6.485   3.470
   65    HB3  GLU  11           1HB      GLU  11   0.578   5.430   2.961
   66    HG2  GLU  11           2HG      GLU  11   1.402   7.602   3.677
   67    HG3  GLU  11           1HG      GLU  11   1.732   7.329   1.964
   68    H    GLU  12           H        GLU  12   0.623   7.326  -0.403
   69    HA   GLU  12           HA       GLU  12   1.295   4.977  -1.939
   70    HB2  GLU  12           2HB      GLU  12   0.640   7.040  -3.087
   71    HB3  GLU  12           1HB      GLU  12   2.025   7.876  -2.395
   72    HG2  GLU  12           2HG      GLU  12   3.546   6.496  -3.628
   73    HG3  GLU  12           1HG      GLU  12   2.227   5.487  -4.219
   74    H    LYS  13           H        LYS  13   2.953   3.766  -1.515
   75    HA   LYS  13           HA       LYS  13   5.504   4.987  -0.716
   76    HB2  LYS  13           2HB      LYS  13   4.117   2.612   0.532
   77    HB3  LYS  13           1HB      LYS  13   5.852   2.853   0.670
   78    HG2  LYS  13           2HG      LYS  13   3.783   4.835   1.591
   79    HG3  LYS  13           1HG      LYS  13   4.560   3.637   2.630
   80    HD2  LYS  13           2HD      LYS  13   6.764   4.609   2.013
   81    HD3  LYS  13           1HD      LYS  13   5.907   5.870   1.121
   82    HE2  LYS  13           2HE      LYS  13   4.804   6.594   3.165
   83    HE3  LYS  13           1HE      LYS  13   5.607   5.313   4.067
   84    HZ1  LYS  13           3HZ      LYS  13   6.747   7.405   4.380
   85    HZ2  LYS  13           1HZ      LYS  13   6.933   7.594   2.702
   86    HZ3  LYS  13           2HZ      LYS  13   7.744   6.342   3.502
   87    H    GLN  14           H        GLN  14   7.036   2.720  -0.678
   88    HA   GLN  14           HA       GLN  14   6.598   1.447  -3.277
   89    HB2  GLN  14           2HB      GLN  14   9.206   1.645  -3.515
   90    HB3  GLN  14           1HB      GLN  14   8.163   2.975  -4.003
   91    HG2  GLN  14           2HG      GLN  14  10.035   3.846  -2.806
   92    HG3  GLN  14           1HG      GLN  14   8.587   4.058  -1.831
   93   HE21  GLN  14          1HE2      GLN  14  10.386   1.056  -2.203
   94   HE22  GLN  14          2HE2      GLN  14  10.883   0.956  -0.553
   95    H    ASP  15           H        ASP  15   7.606  -0.593  -3.536
   96    HA   ASP  15           HA       ASP  15   8.202  -1.956  -1.009
   97    HB2  ASP  15           2HB      ASP  15   7.657  -3.958  -2.088
   98    HB3  ASP  15           1HB      ASP  15   6.557  -2.793  -2.812
   99    H    ASP  16           H        ASP  16   9.837  -4.018  -1.989
  100    HA   ASP  16           HA       ASP  16  12.382  -2.728  -2.028
  101    HB2  ASP  16           2HB      ASP  16  11.611  -5.625  -2.391
  102    HB3  ASP  16           1HB      ASP  16  13.272  -5.055  -2.300
  103    H    ARG  17           H        ARG  17  10.284  -4.118  -4.487
  104    HA   ARG  17           HA       ARG  17  12.395  -4.265  -6.461
  105    HB2  ARG  17           2HB      ARG  17   9.411  -4.448  -6.897
  106    HB3  ARG  17           1HB      ARG  17  10.679  -5.015  -7.980
  107    HG2  ARG  17           2HG      ARG  17  10.011  -6.112  -5.258
  108    HG3  ARG  17           1HG      ARG  17   9.661  -6.867  -6.808
  109    HD2  ARG  17           2HD      ARG  17  12.110  -6.960  -7.243
  110    HD3  ARG  17           1HD      ARG  17  12.377  -6.333  -5.616
  111    HE   ARG  17           HE       ARG  17  10.757  -8.563  -5.345
  112   HH11  ARG  17          1HH1      ARG  17  14.020  -7.843  -6.399
  113   HH12  ARG  17          2HH1      ARG  17  14.600  -9.450  -6.084
  114   HH21  ARG  17          1HH2      ARG  17  11.533 -10.647  -4.894
  115   HH22  ARG  17          2HH2      ARG  17  13.193 -11.043  -5.241
  116    H    GLY  18           H        GLY  18  10.384  -1.817  -5.278
  117    HA2  GLY  18           2HA      GLY  18  10.682   0.456  -5.866
  118    HA3  GLY  18           1HA      GLY  18  11.293  -0.053  -7.432
  119    H    ARG  19           H        ARG  19   8.390  -1.430  -6.134
  120    HA   ARG  19           HA       ARG  19   6.829  -0.070  -8.207
  121    HB2  ARG  19           2HB      ARG  19   6.394  -2.508  -6.521
  122    HB3  ARG  19           1HB      ARG  19   5.029  -1.706  -7.279
  123    HG2  ARG  19           2HG      ARG  19   5.744  -3.542  -8.630
  124    HG3  ARG  19           1HG      ARG  19   6.081  -2.027  -9.472
  125    HD2  ARG  19           2HD      ARG  19   8.427  -2.169  -8.717
  126    HD3  ARG  19           1HD      ARG  19   8.070  -3.718  -7.953
  127    HE   ARG  19           HE       ARG  19   7.492  -4.500 -10.264
  128   HH11  ARG  19          1HH1      ARG  19   9.716  -1.858  -9.737
  129   HH12  ARG  19          2HH1      ARG  19  10.550  -2.079 -11.241
  130   HH21  ARG  19          1HH2      ARG  19   8.587  -4.824 -12.236
  131   HH22  ARG  19          2HH2      ARG  19   9.922  -3.788 -12.657
  132    H    SER  20           H        SER  20   5.202   1.333  -7.714
  133    HA   SER  20           HA       SER  20   5.130   2.350  -5.020
  134    HB2  SER  20           2HB      SER  20   3.329   3.197  -7.290
  135    HB3  SER  20           1HB      SER  20   3.868   4.146  -5.901
  136    HG   SER  20           HG       SER  20   5.230   4.841  -7.397
  137    H    TYR  21           H        TYR  21   4.029   1.184  -3.572
  138    HA   TYR  21           HA       TYR  21   1.356   0.261  -4.361
  139    HB2  TYR  21           2HB      TYR  21   1.462  -1.390  -2.518
  140    HB3  TYR  21           1HB      TYR  21   2.661  -1.670  -3.772
  141    HD1  TYR  21           1HD      TYR  21   3.328   0.989  -1.444
  142    HD2  TYR  21           2HD      TYR  21   3.817  -3.184  -2.097
  143    HE1  TYR  21           1HE      TYR  21   5.096   0.940   0.253
  144    HE2  TYR  21           2HE      TYR  21   5.584  -3.245  -0.386
  145    HH   TYR  21           HH       TYR  21   6.175  -0.618   1.730
  146    H    TYR  22           H        TYR  22  -0.037   0.022  -2.162
  147    HA   TYR  22           HA       TYR  22   0.194   2.672  -0.927
  148    HB2  TYR  22           2HB      TYR  22  -2.377   1.431  -1.917
  149    HB3  TYR  22           1HB      TYR  22  -2.196   3.026  -1.192
  150    HD1  TYR  22           2HD      TYR  22  -1.684   1.015  -4.225
  151    HD2  TYR  22           1HD      TYR  22  -1.227   4.861  -2.465
  152    HE1  TYR  22           2HE      TYR  22  -1.320   1.993  -6.452
  153    HE2  TYR  22           1HE      TYR  22  -0.873   5.844  -4.690
  154    HH   TYR  22           HH       TYR  22  -1.523   4.156  -7.573
  155    H    VAL  23           H        VAL  23   0.046   2.686   1.178
  156    HA   VAL  23           HA       VAL  23  -0.579   0.168   2.520
  157    HB   VAL  23           HB       VAL  23   1.584   0.991   3.061
  158   HG11  VAL  23          1HG1      VAL  23   1.231   3.327   2.417
  159   HG12  VAL  23          2HG1      VAL  23   1.997   3.193   4.000
  160   HG13  VAL  23          3HG1      VAL  23   0.280   3.581   3.878
  161   HG21  VAL  23          3HG2      VAL  23   0.303   0.033   4.931
  162   HG22  VAL  23          1HG2      VAL  23  -0.267   1.645   5.360
  163   HG23  VAL  23          2HG2      VAL  23   1.449   1.253   5.486
  164    H    ASP  24           H        ASP  24  -2.227  -0.097   3.898
  165    HA   ASP  24           HA       ASP  24  -4.037   2.145   4.337
  166    HB2  ASP  24           2HB      ASP  24  -5.189   0.181   3.678
  167    HB3  ASP  24           1HB      ASP  24  -4.262  -0.829   4.788
  168    H    HIS  25           H        HIS  25  -4.201   3.196   6.202
  169    HA   HIS  25           HA       HIS  25  -2.281   2.587   8.275
  170    HB2  HIS  25           2HB      HIS  25  -4.244   4.856   7.956
  171    HB3  HIS  25           1HB      HIS  25  -3.124   4.713   9.305
  172    HD1  HIS  25           1HD      HIS  25  -0.485   4.637   8.516
  173    HD2  HIS  25           2HD      HIS  25  -3.253   6.185   5.825
  174    HE1  HIS  25           1HE      HIS  25   0.866   5.936   6.832
  175    HE2  HIS  25           2HE      HIS  25  -0.860   7.045   5.354
  176    H    ASN  26           H        ASN  26  -5.409   1.592   7.672
  177    HA   ASN  26           HA       ASN  26  -6.358   1.714  10.409
  178    HB2  ASN  26           2HB      ASN  26  -7.554   0.423   7.947
  179    HB3  ASN  26           1HB      ASN  26  -8.334   0.484   9.525
  180   HD21  ASN  26          1HD2      ASN  26  -7.448   2.260   6.686
  181   HD22  ASN  26          2HD2      ASN  26  -8.347   3.696   7.070
  182    H    SER  27           H        SER  27  -5.377  -0.819   8.113
  183    HA   SER  27           HA       SER  27  -5.592  -2.862  10.152
  184    HB2  SER  27           2HB      SER  27  -4.719  -4.336   8.297
  185    HB3  SER  27           1HB      SER  27  -6.222  -3.492   7.918
  186    HG   SER  27           HG       SER  27  -5.126  -2.088   6.627
  187    H    LYS  28           H        LYS  28  -3.361  -0.548   9.352
  188    HA   LYS  28           HA       LYS  28  -1.179  -0.141   9.848
  189    HB2  LYS  28           2HB      LYS  28  -1.344  -2.640  11.556
  190    HB3  LYS  28           1HB      LYS  28  -0.093  -1.407  11.635
  191    HG2  LYS  28           2HG      LYS  28  -3.001  -1.051  12.325
  192    HG3  LYS  28           1HG      LYS  28  -1.658  -1.164  13.461
  193    HD2  LYS  28           2HD      LYS  28  -2.014   0.997  11.392
  194    HD3  LYS  28           1HD      LYS  28  -2.408   1.153  13.105
  195    HE2  LYS  28           2HE      LYS  28  -0.038   0.703  13.649
  196    HE3  LYS  28           1HE      LYS  28   0.328   0.657  11.925
  197    HZ1  LYS  28           3HZ      LYS  28  -0.339   2.942  11.723
  198    HZ2  LYS  28           1HZ      LYS  28   0.811   2.826  12.964
  199    HZ3  LYS  28           2HZ      LYS  28  -0.828   2.997  13.340
  200    H    THR  29           H        THR  29  -2.004  -1.791   7.604
  201    HA   THR  29           HA       THR  29   0.523  -3.189   7.127
  202    HB   THR  29           HB       THR  29  -1.374  -4.645   5.687
  203    HG1  THR  29           1HG      THR  29  -3.060  -3.872   7.016
  204   HG21  THR  29          3HG2      THR  29  -0.020  -5.274   8.300
  205   HG22  THR  29          1HG2      THR  29   0.633  -5.562   6.687
  206   HG23  THR  29          2HG2      THR  29  -0.781  -6.464   7.243
  207    H    THR  30           H        THR  30   1.192  -3.234   4.964
  208    HA   THR  30           HA       THR  30   0.002  -1.173   3.304
  209    HB   THR  30           HB       THR  30   2.499  -2.842   2.959
  210    HG1  THR  30           1HG      THR  30   2.037  -0.741   4.424
  211   HG21  THR  30          3HG2      THR  30   3.047  -1.339   1.106
  212   HG22  THR  30          1HG2      THR  30   1.482  -0.550   1.281
  213   HG23  THR  30          2HG2      THR  30   1.565  -2.238   0.773
  214    H    THR  31           H        THR  31  -0.941  -1.566   1.308
  215    HA   THR  31           HA       THR  31  -1.559  -4.390   0.734
  216    HB   THR  31           HB       THR  31  -3.213  -1.980  -0.029
  217    HG1  THR  31           1HG      THR  31  -4.133  -3.654   1.980
  218   HG21  THR  31          3HG2      THR  31  -3.854  -4.929   0.095
  219   HG22  THR  31          1HG2      THR  31  -3.621  -3.981  -1.374
  220   HG23  THR  31          2HG2      THR  31  -4.998  -3.653  -0.321
  221    H    TRP  32           H        TRP  32  -0.476  -5.090  -1.108
  222    HA   TRP  32           HA       TRP  32   0.284  -3.079  -3.055
  223    HB2  TRP  32           2HB      TRP  32   1.522  -5.355  -2.415
  224    HB3  TRP  32           1HB      TRP  32   0.495  -5.992  -3.692
  225    HD1  TRP  32           HD       TRP  32   3.851  -4.968  -3.374
  226    HE1  TRP  32           1HE      TRP  32   4.837  -3.953  -5.525
  227    HE3  TRP  32           3HE      TRP  32  -0.501  -3.955  -5.887
  228    HZ2  TRP  32           2HZ      TRP  32   3.899  -2.867  -7.950
  229    HZ3  TRP  32           3HZ      TRP  32  -0.361  -2.915  -8.108
  230    HH2  TRP  32           HH       TRP  32   1.790  -2.384  -9.122
  231    H    SER  33           H        SER  33  -1.675  -2.289  -3.774
  232    HA   SER  33           HA       SER  33  -3.034  -4.043  -5.677
  233    HB2  SER  33           2HB      SER  33  -4.436  -3.839  -3.586
  234    HB3  SER  33           1HB      SER  33  -4.520  -2.103  -3.879
  235    HG   SER  33           HG       SER  33  -6.251  -3.675  -4.739
  236    H    LYS  34           H        LYS  34  -3.665  -2.953  -7.589
  237    HA   LYS  34           HA       LYS  34  -2.831  -0.136  -7.747
  238    HB2  LYS  34           2HB      LYS  34  -1.912  -1.596  -9.483
  239    HB3  LYS  34           1HB      LYS  34  -3.530  -2.104  -9.939
  240    HG2  LYS  34           2HG      LYS  34  -3.022  -0.569 -11.575
  241    HG3  LYS  34           1HG      LYS  34  -3.931   0.410 -10.425
  242    HD2  LYS  34           2HD      LYS  34  -0.934   0.254 -10.298
  243    HD3  LYS  34           1HD      LYS  34  -1.736   1.359 -11.410
  244    HE2  LYS  34           2HE      LYS  34  -2.922   2.372  -9.502
  245    HE3  LYS  34           1HE      LYS  34  -2.046   1.300  -8.407
  246    HZ1  LYS  34           3HZ      LYS  34   0.030   2.289  -9.158
  247    HZ2  LYS  34           1HZ      LYS  34  -1.000   3.485  -8.536
  248    HZ3  LYS  34           2HZ      LYS  34  -0.804   3.320 -10.216
  249    HA   PRO  35           HA       PRO  35  -7.362   0.531  -7.389
  250    HB2  PRO  35           2HB      PRO  35  -6.986   3.194  -6.732
  251    HB3  PRO  35           1HB      PRO  35  -7.152   1.884  -5.561
  252    HG2  PRO  35           2HG      PRO  35  -4.707   3.259  -6.533
  253    HG3  PRO  35           1HG      PRO  35  -5.066   2.614  -4.928
  254    HD2  PRO  35           2HD      PRO  35  -3.430   1.348  -6.691
  255    HD3  PRO  35           1HD      PRO  35  -4.417   0.485  -5.495
  256    H    THR  36           H        THR  36  -8.689   1.749  -8.768
  257    HA   THR  36           HA       THR  36  -7.693   1.969 -11.378
  258    HB   THR  36           HB       THR  36 -10.274   3.120 -10.309
  259    HG1  THR  36           1HG      THR  36  -9.488   0.508 -11.122
  260   HG21  THR  36          3HG2      THR  36 -11.086   2.766 -12.609
  261   HG22  THR  36          1HG2      THR  36  -9.474   2.237 -13.093
  262   HG23  THR  36          2HG2      THR  36  -9.735   3.900 -12.567
  263    H    MET  37           H        MET  37  -6.067   3.363 -11.612
  264    HA   MET  37           HA       MET  37  -6.705   6.222 -11.626
  265    HB2  MET  37           2HB      MET  37  -4.254   4.976 -10.351
  266    HB3  MET  37           1HB      MET  37  -4.421   6.689 -10.702
  267    HG2  MET  37           2HG      MET  37  -6.192   6.914  -9.125
  268    HG3  MET  37           1HG      MET  37  -6.271   5.167  -8.896
  269    HE1  MET  37           3HE      MET  37  -3.996   8.378  -8.409
  270    HE2  MET  37           1HE      MET  37  -2.971   7.246  -9.292
  271    HE3  MET  37           2HE      MET  37  -2.594   7.656  -7.620
  272    H    GLN  38           H        GLU  38  -4.775   7.374 -12.844
  273    HA   GLN  38           HA       GLU  38  -4.075   5.627 -15.105
  274    HB2  GLN  38           2HB      GLU  38  -4.231   8.642 -14.948
  275    HB3  GLN  38           1HB      GLU  38  -3.720   7.742 -16.367
  276    HG2  GLN  38           2HG      GLU  38  -5.900   6.743 -16.583
  277    HG3  GLN  38           1HG      GLU  38  -6.432   7.489 -15.077
  278    H    ASP  39           H        ASP  39  -2.359   4.787 -13.692
  279    HA   ASP  39           HA       ASP  39   0.140   5.481 -14.585
  280    HB2  ASP  39           2HB      ASP  39  -0.195   7.550 -13.166
  281    HB3  ASP  39           1HB      ASP  39  -0.193   6.499 -11.755
  282    H1   ALA  40           1HT      ALA  40 -12.582  -4.927  14.419
  283    H2   ALA  40           2HT      ALA  40 -11.408  -5.989  13.819
  284    H3   ALA  40           3HT      ALA  40 -12.880  -5.800  12.994
  285    HA   ALA  40           HA       ALA  40 -12.332  -3.493  12.525
  286    HB1  ALA  40           2HB      ALA  40  -9.666  -4.209  13.753
  287    HB2  ALA  40           3HB      ALA  40 -10.868  -3.132  14.464
  288    HB3  ALA  40           1HB      ALA  40 -10.069  -2.689  12.954
  289    HA   PRO  41           HA       PRO  41 -11.024  -5.196   8.657
  290    HB2  PRO  41           2HB      PRO  41  -9.816  -2.974   7.554
  291    HB3  PRO  41           1HB      PRO  41 -11.557  -3.264   7.559
  292    HG2  PRO  41           2HG      PRO  41  -9.912  -1.564   9.379
  293    HG3  PRO  41           1HG      PRO  41 -11.513  -1.244   8.691
  294    HD2  PRO  41           2HD      PRO  41 -11.198  -2.041  11.238
  295    HD3  PRO  41           1HD      PRO  41 -12.585  -2.566  10.260
  296    H    LEU  42           H        LEU  42  -9.372  -6.531   8.379
  297    HA   LEU  42           HA       LEU  42  -6.642  -5.464   8.665
  298    HB2  LEU  42           2HB      LEU  42  -7.571  -7.233  10.429
  299    HB3  LEU  42           1HB      LEU  42  -7.184  -8.367   9.149
  300    HG   LEU  42           HG       LEU  42  -5.375  -8.231  10.779
  301   HD11  LEU  42          1HD1      LEU  42  -4.647  -6.973   8.143
  302   HD12  LEU  42          2HD1      LEU  42  -4.738  -8.700   8.497
  303   HD13  LEU  42          3HD1      LEU  42  -3.513  -7.701   9.280
  304   HD21  LEU  42          3HD2      LEU  42  -4.067  -6.168  11.011
  305   HD22  LEU  42          1HD2      LEU  42  -5.723  -5.988  11.592
  306   HD23  LEU  42          2HD2      LEU  42  -5.259  -5.322  10.026
  307    H    SEP  43           H        SEP  43  -8.159  -8.482   7.549
  308    HA   SEP  43           HA       SEP  43  -8.260  -9.528   5.556
  309    HB2  SEP  43           1HB      SEP  43  -8.394  -8.087   3.533
  310    HB3  SEP  43           2HB      SEP  43  -7.859  -6.712   4.512
  311    HA   PRO  44           HA       PRO  44  -4.216 -10.570   4.166
  312    HB2  PRO  44           2HB      PRO  44  -4.863 -10.770   1.341
  313    HB3  PRO  44           1HB      PRO  44  -4.583 -12.061   2.511
  314    HG2  PRO  44           2HG      PRO  44  -7.023 -11.549   1.423
  315    HG3  PRO  44           1HG      PRO  44  -6.809 -12.240   3.041
  316    HD2  PRO  44           2HD      PRO  44  -7.408  -9.417   2.246
  317    HD3  PRO  44           1HD      PRO  44  -8.081 -10.376   3.582
  318    H    MET  45           H        MET  45  -3.464  -8.314   4.580
  319    HA   MET  45           HA       MET  45  -2.614  -6.957   2.107
  320    HB2  MET  45           2HB      MET  45  -2.223  -5.976   4.936
  321    HB3  MET  45           1HB      MET  45  -2.141  -5.044   3.454
  322    HG2  MET  45           2HG      MET  45  -4.597  -6.191   4.736
  323    HG3  MET  45           1HG      MET  45  -4.152  -4.493   4.596
  324    HE1  MET  45           3HE      MET  45  -7.247  -4.657   2.244
  325    HE2  MET  45           1HE      MET  45  -6.493  -3.868   3.630
  326    HE3  MET  45           2HE      MET  45  -7.032  -5.540   3.755
  327    H    SEP  46           H        SEP  46  -0.727  -7.867   1.369
  328    HA   SEP  46           HA       SEP  46   1.337  -8.533   3.336
  329    HB2  SEP  46           1HB      SEP  46   1.428 -10.876   2.536
  330    HB3  SEP  46           2HB      SEP  46   0.014 -10.556   1.516
  331    HA   PRO  47           HA       PRO  47   3.780  -7.823  -0.425
  332    HB2  PRO  47           2HB      PRO  47   4.086  -5.164  -0.596
  333    HB3  PRO  47           1HB      PRO  47   2.660  -5.963  -1.267
  334    HG2  PRO  47           2HG      PRO  47   2.883  -4.208   1.060
  335    HG3  PRO  47           1HG      PRO  47   1.439  -4.693   0.161
  336    HD2  PRO  47           2HD      PRO  47   2.515  -5.831   2.642
  337    HD3  PRO  47           1HD      PRO  47   0.922  -6.084   1.897
  338    HA   PRO  48           HA       PRO  48   7.399  -7.150   2.122
  339    HB2  PRO  48           2HB      PRO  48   9.257  -6.259   0.370
  340    HB3  PRO  48           1HB      PRO  48   8.684  -7.929   0.392
  341    HG2  PRO  48           2HG      PRO  48   7.941  -5.696  -1.441
  342    HG3  PRO  48           1HG      PRO  48   8.178  -7.414  -1.801
  343    HD2  PRO  48           2HD      PRO  48   5.721  -6.216  -1.483
  344    HD3  PRO  48           1HD      PRO  48   6.028  -7.945  -1.233
  345    H    GLY  49           H        GLY  49   6.888  -5.523   3.539
  346    HA2  GLY  49           2HA      GLY  49   8.360  -3.346   3.856
  347    HA3  GLY  49           1HA      GLY  49   7.199  -2.754   2.677
  348    H    TYR  50           H        TYR  50   7.546  -1.667   5.229
  349    HA   TYR  50           HA       TYR  50   6.232  -0.698   6.811
  350    HB2  TYR  50           2HB      TYR  50   4.401  -1.253   4.967
  351    HB3  TYR  50           1HB      TYR  50   3.850  -2.386   6.196
  352    HD1  TYR  50           1HD      TYR  50   4.797   1.188   5.785
  353    HD2  TYR  50           2HD      TYR  50   2.360  -1.650   7.808
  354    HE1  TYR  50           1HE      TYR  50   3.587   3.022   6.881
  355    HE2  TYR  50           2HE      TYR  50   1.147   0.171   8.910
  356    HH   TYR  50           HH       TYR  50   1.614   2.594   9.539
  357    H    LYS  51           H        LYS  51   5.591  -4.163   6.472
  358    HA   LYS  51           HA       LYS  51   5.667  -4.499   9.374
  359    HB2  LYS  51           2HB      LYS  51   4.987  -6.350   7.087
  360    HB3  LYS  51           1HB      LYS  51   5.185  -6.933   8.733
  361    HG2  LYS  51           2HG      LYS  51   3.229  -4.765   8.011
  362    HG3  LYS  51           1HG      LYS  51   2.824  -6.483   7.979
  363    HD2  LYS  51           2HD      LYS  51   3.460  -6.655  10.350
  364    HD3  LYS  51           1HD      LYS  51   3.794  -4.923  10.372
  365    HE2  LYS  51           2HE      LYS  51   1.512  -4.398   9.959
  366    HE3  LYS  51           1HE      LYS  51   1.116  -6.081   9.622
  367    HZ1  LYS  51           3HZ      LYS  51   1.577  -6.621  11.919
  368    HZ2  LYS  51           1HZ      LYS  51   0.390  -5.415  11.821
  369    HZ3  LYS  51           2HZ      LYS  51   1.982  -5.013  12.258
  370    H    LEU  52           H        LEU  52   7.044  -6.216  10.268
  371    HA   LEU  52           HA       LEU  52   9.673  -6.156   8.994
  372    HB2  LEU  52           2HB      LEU  52   8.850  -7.000  11.781
  373    HB3  LEU  52           1HB      LEU  52  10.499  -6.940  11.185
  374    HG   LEU  52           HG       LEU  52   8.655  -4.571  11.513
  375   HD11  LEU  52          1HD1      LEU  52   9.414  -5.431  13.645
  376   HD12  LEU  52          2HD1      LEU  52  10.225  -3.907  13.280
  377   HD13  LEU  52          3HD1      LEU  52  11.081  -5.436  13.074
  378   HD21  LEU  52          3HD2      LEU  52  10.660  -3.231  10.988
  379   HD22  LEU  52          1HD2      LEU  52  10.149  -4.242   9.633
  380   HD23  LEU  52          2HD2      LEU  52  11.529  -4.722  10.616
  381    H    VAL  53           H        VAL  53  10.806  -7.988   8.444
  382    HA   VAL  53           HA       VAL  53   9.237 -10.479   8.409
  383    HB   VAL  53           HB       VAL  53  11.515  -9.730   6.566
  384   HG11  VAL  53          1HG1      VAL  53  10.758 -11.646   5.234
  385   HG12  VAL  53          2HG1      VAL  53   9.546 -12.015   6.461
  386   HG13  VAL  53          3HG1      VAL  53  11.259 -12.132   6.855
  387   HG21  VAL  53          3HG2      VAL  53   9.575  -8.272   6.217
  388   HG22  VAL  53          1HG2      VAL  53   8.547  -9.688   6.016
  389   HG23  VAL  53          2HG2      VAL  53   9.828  -9.357   4.849
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1   2.926  16.757 -12.373
    2    H2   GLY   1           2HT      GLY   1   1.846  17.973 -12.839
    3    H3   GLY   1           3HT      GLY   1   1.418  16.345 -13.028
    4    HA2  GLY   1           1HA      GLY   1   1.459  16.040 -10.620
    5    HA3  GLY   1           2HA      GLY   1   1.853  17.748 -10.448
    6    H    SER   2           H        SER   2  -0.641  15.444 -10.849
    7    HA   SER   2           HA       SER   2  -2.617  17.551 -10.554
    8    HB2  SER   2           2HB      SER   2  -4.001  16.283 -12.411
    9    HB3  SER   2           1HB      SER   2  -2.838  17.528 -12.859
   10    HG   SER   2           HG       SER   2  -2.802  14.820 -13.347
   11    H    SER   3           H        SER   3  -4.684  16.763  -9.867
   12    HA   SER   3           HA       SER   3  -6.092  15.528  -8.618
   13    HB2  SER   3           2HB      SER   3  -6.403  13.214  -9.119
   14    HB3  SER   3           1HB      SER   3  -5.937  13.997 -10.624
   15    HG   SER   3           HG       SER   3  -3.697  13.290  -9.915
   16    H    SER   4           H        SER   4  -5.963  13.270  -7.151
   17    HA   SER   4           HA       SER   4  -4.143  14.046  -5.046
   18    HB2  SER   4           2HB      SER   4  -6.143  11.778  -5.065
   19    HB3  SER   4           1HB      SER   4  -5.405  12.543  -3.659
   20    HG   SER   4           HG       SER   4  -7.467  13.388  -3.958
   21    H    GLY   5           H        GLY   5  -4.325  11.700  -7.540
   22    HA2  GLY   5           2HA      GLY   5  -2.785  10.112  -8.201
   23    HA3  GLY   5           1HA      GLY   5  -1.791  10.557  -6.820
   24    H    LEU   6           H        LEU   6  -2.686   9.838  -4.671
   25    HA   LEU   6           HA       LEU   6  -3.765   7.115  -4.935
   26    HB2  LEU   6           2HB      LEU   6  -2.596   6.790  -2.666
   27    HB3  LEU   6           1HB      LEU   6  -1.617   6.807  -4.118
   28    HG   LEU   6           HG       LEU   6  -1.200   9.285  -3.595
   29   HD11  LEU   6          1HD1      LEU   6  -2.935   9.591  -1.933
   30   HD12  LEU   6          2HD1      LEU   6  -1.347   9.882  -1.223
   31   HD13  LEU   6          3HD1      LEU   6  -2.197   8.368  -0.903
   32   HD21  LEU   6          3HD2      LEU   6  -0.097   7.114  -1.818
   33   HD22  LEU   6          1HD2      LEU   6   0.631   8.705  -2.061
   34   HD23  LEU   6          2HD2      LEU   6   0.501   7.577  -3.410
   35    HA   PRO   7           HA       PRO   7  -7.242   8.261  -2.490
   36    HB2  PRO   7           2HB      PRO   7  -7.002   5.738  -0.985
   37    HB3  PRO   7           1HB      PRO   7  -8.304   6.298  -2.040
   38    HG2  PRO   7           2HG      PRO   7  -6.649   4.317  -2.781
   39    HG3  PRO   7           1HG      PRO   7  -7.279   5.494  -3.951
   40    HD2  PRO   7           2HD      PRO   7  -4.587   5.375  -2.641
   41    HD3  PRO   7           1HD      PRO   7  -5.003   5.753  -4.327
   42    HA   PRO   8           HA       PRO   8  -5.783  10.064   1.244
   43    HB2  PRO   8           2HB      PRO   8  -8.489   9.532   2.348
   44    HB3  PRO   8           1HB      PRO   8  -7.609  11.057   2.214
   45    HG2  PRO   8           2HG      PRO   8  -9.645  10.509   0.583
   46    HG3  PRO   8           1HG      PRO   8  -8.203  11.354  -0.011
   47    HD2  PRO   8           2HD      PRO   8  -9.004   8.492  -0.354
   48    HD3  PRO   8           1HD      PRO   8  -8.230   9.588  -1.516
   49    H    GLY   9           H        GLY   9  -4.459   9.022   2.570
   50    HA2  GLY   9           2HA      GLY   9  -4.138   7.829   4.618
   51    HA3  GLY   9           1HA      GLY   9  -5.536   6.837   4.229
   52    H    TRP  10           H        TRP  10  -3.745   7.181   1.446
   53    HA   TRP  10           HA       TRP  10  -2.453   4.598   1.911
   54    HB2  TRP  10           2HB      TRP  10  -3.209   6.050  -0.631
   55    HB3  TRP  10           1HB      TRP  10  -2.145   4.646  -0.634
   56    HD1  TRP  10           HD       TRP  10  -5.488   5.267   1.229
   57    HE1  TRP  10           1HE      TRP  10  -7.055   3.290   0.733
   58    HE3  TRP  10           3HE      TRP  10  -2.505   2.654  -2.000
   59    HZ2  TRP  10           2HZ      TRP  10  -7.035   0.939  -0.833
   60    HZ3  TRP  10           3HZ      TRP  10  -3.361   0.550  -2.961
   61    HH2  TRP  10           HH       TRP  10  -5.582  -0.282  -2.383
   62    H    GLU  11           H        GLU  11  -0.354   4.409   2.119
   63    HA   GLU  11           HA       GLU  11   1.294   6.815   1.839
   64    HB2  GLU  11           2HB      GLU  11   1.132   5.621   4.033
   65    HB3  GLU  11           1HB      GLU  11   1.872   4.222   3.273
   66    HG2  GLU  11           2HG      GLU  11   3.556   5.347   4.484
   67    HG3  GLU  11           1HG      GLU  11   3.859   5.640   2.772
   68    H    GLU  12           H        GLU  12   2.757   6.948   0.242
   69    HA   GLU  12           HA       GLU  12   3.276   4.607  -1.407
   70    HB2  GLU  12           2HB      GLU  12   4.455   6.277  -2.881
   71    HB3  GLU  12           1HB      GLU  12   2.740   6.568  -2.650
   72    HG2  GLU  12           2HG      GLU  12   3.241   8.297  -1.014
   73    HG3  GLU  12           1HG      GLU  12   4.965   7.990  -1.217
   74    H    LYS  13           H        LYS  13   4.932   3.324  -0.968
   75    HA   LYS  13           HA       LYS  13   7.444   4.471   0.013
   76    HB2  LYS  13           2HB      LYS  13   6.240   2.048   1.351
   77    HB3  LYS  13           1HB      LYS  13   7.646   2.971   1.857
   78    HG2  LYS  13           2HG      LYS  13   5.532   4.792   1.830
   79    HG3  LYS  13           1HG      LYS  13   4.881   3.320   2.551
   80    HD2  LYS  13           2HD      LYS  13   5.749   4.515   4.365
   81    HD3  LYS  13           1HD      LYS  13   6.997   3.320   4.000
   82    HE2  LYS  13           2HE      LYS  13   8.069   5.432   4.368
   83    HE3  LYS  13           1HE      LYS  13   8.167   5.054   2.646
   84    HZ1  LYS  13           3HZ      LYS  13   6.203   6.897   3.903
   85    HZ2  LYS  13           1HZ      LYS  13   6.289   6.528   2.254
   86    HZ3  LYS  13           2HZ      LYS  13   7.556   7.366   2.996
   87    H    GLN  14           H        GLN  14   9.008   2.374   0.313
   88    HA   GLN  14           HA       GLN  14   8.557   0.625  -2.012
   89    HB2  GLN  14           2HB      GLN  14  11.036   0.641  -2.382
   90    HB3  GLN  14           1HB      GLN  14  10.239   2.163  -2.732
   91    HG2  GLN  14           2HG      GLN  14  12.008   2.977  -1.584
   92    HG3  GLN  14           1HG      GLN  14  10.956   2.649  -0.210
   93   HE21  GLN  14          1HE2      GLN  14  11.458   0.955   1.184
   94   HE22  GLN  14          2HE2      GLN  14  12.987   0.153   1.145
   95    H    ASP  15           H        ASP  15   9.417  -1.495  -1.862
   96    HA   ASP  15           HA       ASP  15   9.891  -2.396   0.876
   97    HB2  ASP  15           2HB      ASP  15   9.185  -4.468   0.241
   98    HB3  ASP  15           1HB      ASP  15   8.422  -3.566  -1.066
   99    H    ASP  16           H        ASP  16  11.719  -4.289   0.863
  100    HA   ASP  16           HA       ASP  16  14.127  -2.836   0.388
  101    HB2  ASP  16           2HB      ASP  16  13.563  -5.590   1.434
  102    HB3  ASP  16           1HB      ASP  16  15.212  -5.056   1.115
  103    H    ARG  17           H        ARG  17  12.331  -5.038  -1.521
  104    HA   ARG  17           HA       ARG  17  14.553  -5.809  -3.205
  105    HB2  ARG  17           2HB      ARG  17  11.563  -6.102  -3.542
  106    HB3  ARG  17           1HB      ARG  17  12.747  -6.731  -4.681
  107    HG2  ARG  17           2HG      ARG  17  13.686  -8.136  -2.894
  108    HG3  ARG  17           1HG      ARG  17  12.455  -7.521  -1.787
  109    HD2  ARG  17           2HD      ARG  17  11.740  -9.651  -2.615
  110    HD3  ARG  17           1HD      ARG  17  10.722  -8.402  -3.329
  111    HE   ARG  17           HE       ARG  17  13.011  -9.242  -4.907
  112   HH11  ARG  17          1HH1      ARG  17   9.587  -9.526  -4.283
  113   HH12  ARG  17          2HH1      ARG  17   9.237 -10.306  -5.794
  114   HH21  ARG  17          1HH2      ARG  17  12.566 -10.208  -6.927
  115   HH22  ARG  17          2HH2      ARG  17  10.937 -10.676  -7.312
  116    H    GLY  18           H        GLY  18  12.298  -3.216  -3.022
  117    HA2  GLY  18           2HA      GLY  18  13.023  -1.156  -4.132
  118    HA3  GLY  18           1HA      GLY  18  13.444  -2.136  -5.525
  119    H    ARG  19           H        ARG  19  10.613  -3.271  -4.161
  120    HA   ARG  19           HA       ARG  19   9.071  -2.204  -6.361
  121    HB2  ARG  19           2HB      ARG  19   8.192  -3.921  -4.030
  122    HB3  ARG  19           1HB      ARG  19   7.230  -3.553  -5.453
  123    HG2  ARG  19           2HG      ARG  19   9.753  -5.182  -5.344
  124    HG3  ARG  19           1HG      ARG  19   8.117  -5.763  -5.654
  125    HD2  ARG  19           2HD      ARG  19   9.927  -4.161  -7.416
  126    HD3  ARG  19           1HD      ARG  19   9.068  -5.657  -7.772
  127    HE   ARG  19           HE       ARG  19   7.494  -3.238  -7.310
  128   HH11  ARG  19          1HH1      ARG  19   8.664  -5.671  -9.545
  129   HH12  ARG  19          2HH1      ARG  19   7.566  -5.211 -10.811
  130   HH21  ARG  19          1HH2      ARG  19   6.071  -2.631  -8.978
  131   HH22  ARG  19          2HH2      ARG  19   6.104  -3.471 -10.497
  132    H    SER  20           H        SER  20   8.250  -0.212  -6.244
  133    HA   SER  20           HA       SER  20   7.681   1.059  -3.737
  134    HB2  SER  20           2HB      SER  20   6.874   1.923  -6.530
  135    HB3  SER  20           1HB      SER  20   6.898   2.934  -5.084
  136    HG   SER  20           HG       SER  20   9.281   1.672  -5.614
  137    H    TYR  21           H        TYR  21   5.994   0.522  -2.562
  138    HA   TYR  21           HA       TYR  21   3.554  -0.404  -3.923
  139    HB2  TYR  21           2HB      TYR  21   3.087  -1.771  -1.925
  140    HB3  TYR  21           1HB      TYR  21   4.618  -2.219  -2.667
  141    HD1  TYR  21           1HD      TYR  21   3.176  -0.199   0.118
  142    HD2  TYR  21           2HD      TYR  21   6.573  -2.285  -1.371
  143    HE1  TYR  21           1HE      TYR  21   4.307   0.100   2.282
  144    HE2  TYR  21           2HE      TYR  21   7.706  -1.994   0.785
  145    HH   TYR  21           HH       TYR  21   6.087  -0.891   3.588
  146    H    TYR  22           H        TYR  22   1.611  -0.193  -2.409
  147    HA   TYR  22           HA       TYR  22   1.753   2.367  -0.975
  148    HB2  TYR  22           2HB      TYR  22  -0.657   1.123  -2.323
  149    HB3  TYR  22           1HB      TYR  22  -0.629   2.658  -1.464
  150    HD1  TYR  22           1HD      TYR  22   1.163   4.394  -2.402
  151    HD2  TYR  22           2HD      TYR  22  -0.479   1.148  -4.610
  152    HE1  TYR  22           1HE      TYR  22   1.728   5.545  -4.502
  153    HE2  TYR  22           2HE      TYR  22   0.085   2.284  -6.715
  154    HH   TYR  22           HH       TYR  22   2.181   4.873  -6.909
  155    H    VAL  23           H        VAL  23   1.273   2.322   1.119
  156    HA   VAL  23           HA       VAL  23  -0.049  -0.101   2.116
  157    HB   VAL  23           HB       VAL  23   2.123  -0.127   3.052
  158   HG11  VAL  23          1HG1      VAL  23   2.815   2.131   2.574
  159   HG12  VAL  23          2HG1      VAL  23   3.089   1.771   4.277
  160   HG13  VAL  23          3HG1      VAL  23   1.710   2.756   3.794
  161   HG21  VAL  23          3HG2      VAL  23   0.358  -0.645   4.636
  162   HG22  VAL  23          1HG2      VAL  23   0.229   1.056   5.076
  163   HG23  VAL  23          2HG2      VAL  23   1.698   0.159   5.455
  164    H    ASP  24           H        ASP  24  -1.988   0.174   2.828
  165    HA   ASP  24           HA       ASP  24  -3.116   2.784   3.150
  166    HB2  ASP  24           2HB      ASP  24  -4.599   1.195   2.246
  167    HB3  ASP  24           1HB      ASP  24  -4.167  -0.022   3.446
  168    H    HIS  25           H        HIS  25  -3.419   3.915   4.997
  169    HA   HIS  25           HA       HIS  25  -2.168   2.888   7.390
  170    HB2  HIS  25           2HB      HIS  25  -3.392   5.546   6.688
  171    HB3  HIS  25           1HB      HIS  25  -2.839   5.174   8.316
  172    HD1  HIS  25           1HD      HIS  25  -0.188   4.594   8.504
  173    HD2  HIS  25           2HD      HIS  25  -1.440   6.439   4.990
  174    HE1  HIS  25           1HE      HIS  25   1.884   5.567   7.475
  175    HE2  HIS  25           2HE      HIS  25   1.080   6.851   5.460
  176    H    ASN  26           H        ASN  26  -5.257   2.632   6.129
  177    HA   ASN  26           HA       ASN  26  -6.771   3.028   8.543
  178    HB2  ASN  26           2HB      ASN  26  -7.457   1.784   5.881
  179    HB3  ASN  26           1HB      ASN  26  -8.596   1.827   7.220
  180   HD21  ASN  26          1HD2      ASN  26  -7.026   3.622   4.734
  181   HD22  ASN  26          2HD2      ASN  26  -7.902   5.103   4.973
  182    H    SER  27           H        SER  27  -5.930   0.110   6.633
  183    HA   SER  27           HA       SER  27  -6.389  -1.493   9.047
  184    HB2  SER  27           2HB      SER  27  -5.754  -2.358   6.213
  185    HB3  SER  27           1HB      SER  27  -6.184  -3.429   7.548
  186    HG   SER  27           HG       SER  27  -7.977  -1.401   7.160
  187    H    LYS  28           H        LYS  28  -3.974   0.115   7.433
  188    HA   LYS  28           HA       LYS  28  -1.729   0.266   7.665
  189    HB2  LYS  28           2HB      LYS  28  -2.252  -1.443  10.108
  190    HB3  LYS  28           1HB      LYS  28  -0.706  -0.684   9.742
  191    HG2  LYS  28           2HG      LYS  28  -1.655   1.498   9.927
  192    HG3  LYS  28           1HG      LYS  28  -3.281   0.833  10.058
  193    HD2  LYS  28           2HD      LYS  28  -2.675  -0.208  12.190
  194    HD3  LYS  28           1HD      LYS  28  -1.053   0.478  12.059
  195    HE2  LYS  28           2HE      LYS  28  -2.467   1.830  13.514
  196    HE3  LYS  28           1HE      LYS  28  -1.987   2.722  12.072
  197    HZ1  LYS  28           3HZ      LYS  28  -4.310   3.076  12.577
  198    HZ2  LYS  28           1HZ      LYS  28  -4.618   1.408  12.516
  199    HZ3  LYS  28           2HZ      LYS  28  -4.163   2.246  11.110
  200    H    THR  29           H        THR  29  -2.835  -1.524   5.944
  201    HA   THR  29           HA       THR  29  -1.127  -3.901   6.031
  202    HB   THR  29           HB       THR  29  -2.778  -4.445   4.027
  203    HG1  THR  29           1HG      THR  29  -4.330  -3.006   3.891
  204   HG21  THR  29          3HG2      THR  29  -2.530  -5.774   6.047
  205   HG22  THR  29          1HG2      THR  29  -4.234  -5.580   5.647
  206   HG23  THR  29          2HG2      THR  29  -3.517  -4.620   6.942
  207    H    THR  30           H        THR  30   0.487  -4.109   4.610
  208    HA   THR  30           HA       THR  30   0.859  -2.069   2.602
  209    HB   THR  30           HB       THR  30   2.831  -2.680   3.811
  210    HG1  THR  30           1HG      THR  30   3.687  -2.370   1.903
  211   HG21  THR  30          3HG2      THR  30   2.378  -5.527   2.901
  212   HG22  THR  30          1HG2      THR  30   2.152  -4.916   4.542
  213   HG23  THR  30          2HG2      THR  30   3.762  -4.936   3.822
  214    H    THR  31           H        THR  31  -0.207  -2.253   0.769
  215    HA   THR  31           HA       THR  31  -0.600  -4.918  -0.388
  216    HB   THR  31           HB       THR  31  -2.654  -4.422   0.753
  217    HG1  THR  31           1HG      THR  31  -4.090  -4.437  -1.014
  218   HG21  THR  31          3HG2      THR  31  -2.668  -1.796  -0.730
  219   HG22  THR  31          1HG2      THR  31  -2.408  -2.015   1.001
  220   HG23  THR  31          2HG2      THR  31  -3.971  -2.406   0.286
  221    H    TRP  32           H        TRP  32   0.151  -4.973  -2.410
  222    HA   TRP  32           HA       TRP  32   0.658  -2.494  -3.797
  223    HB2  TRP  32           2HB      TRP  32   2.218  -4.420  -3.910
  224    HB3  TRP  32           1HB      TRP  32   0.979  -5.358  -4.724
  225    HD1  TRP  32           HD       TRP  32   3.108  -5.579  -6.491
  226    HE1  TRP  32           1HE      TRP  32   3.574  -4.195  -8.608
  227    HE3  TRP  32           3HE      TRP  32   0.332  -1.398  -5.393
  228    HZ2  TRP  32           2HZ      TRP  32   2.891  -1.665  -9.662
  229    HZ3  TRP  32           3HZ      TRP  32   0.303   0.447  -7.018
  230    HH2  TRP  32           HH       TRP  32   1.556   0.318  -9.105
  231    H    SER  33           H        SER  33  -1.251  -1.561  -4.245
  232    HA   SER  33           HA       SER  33  -3.058  -2.991  -6.049
  233    HB2  SER  33           2HB      SER  33  -3.894  -1.237  -3.724
  234    HB3  SER  33           1HB      SER  33  -4.989  -1.960  -4.906
  235    HG   SER  33           HG       SER  33  -3.474  -3.198  -2.876
  236    H    LYS  34           H        LYS  34  -2.935  -1.989  -7.883
  237    HA   LYS  34           HA       LYS  34  -2.194   0.769  -8.122
  238    HB2  LYS  34           2HB      LYS  34  -1.992   0.363 -10.434
  239    HB3  LYS  34           1HB      LYS  34  -1.450  -1.111  -9.656
  240    HG2  LYS  34           2HG      LYS  34  -4.216  -0.753 -10.792
  241    HG3  LYS  34           1HG      LYS  34  -2.863  -1.377 -11.726
  242    HD2  LYS  34           2HD      LYS  34  -3.978  -3.295 -11.041
  243    HD3  LYS  34           1HD      LYS  34  -2.683  -3.152  -9.855
  244    HE2  LYS  34           2HE      LYS  34  -4.150  -2.366  -8.192
  245    HE3  LYS  34           1HE      LYS  34  -5.435  -2.021  -9.348
  246    HZ1  LYS  34           3HZ      LYS  34  -4.429  -4.714  -8.559
  247    HZ2  LYS  34           1HZ      LYS  34  -5.645  -4.435  -9.714
  248    HZ3  LYS  34           2HZ      LYS  34  -5.902  -4.019  -8.089
  249    HA   PRO  35           HA       PRO  35  -6.541   1.933  -8.344
  250    HB2  PRO  35           2HB      PRO  35  -5.791   4.586  -7.587
  251    HB3  PRO  35           1HB      PRO  35  -6.562   3.347  -6.594
  252    HG2  PRO  35           2HG      PRO  35  -4.012   4.306  -6.165
  253    HG3  PRO  35           1HG      PRO  35  -4.606   2.724  -5.619
  254    HD2  PRO  35           2HD      PRO  35  -2.997   3.391  -8.065
  255    HD3  PRO  35           1HD      PRO  35  -2.794   2.039  -6.922
  256    H    THR  36           H        THR  36  -7.421   2.445 -10.245
  257    HA   THR  36           HA       THR  36  -6.173   4.509 -11.916
  258    HB   THR  36           HB       THR  36  -7.101   1.897 -13.114
  259    HG1  THR  36           1HG      THR  36  -4.631   2.565 -11.918
  260   HG21  THR  36          3HG2      THR  36  -5.630   2.574 -14.962
  261   HG22  THR  36          1HG2      THR  36  -5.219   4.053 -14.092
  262   HG23  THR  36          2HG2      THR  36  -6.872   3.784 -14.644
  263    H    MET  37           H        MET  37  -8.774   3.823 -10.288
  264    HA   MET  37           HA       MET  37 -10.548   5.066 -12.242
  265    HB2  MET  37           2HB      MET  37 -12.402   3.571 -11.702
  266    HB3  MET  37           1HB      MET  37 -11.053   2.671 -12.378
  267    HG2  MET  37           2HG      MET  37 -10.423   1.890 -10.186
  268    HG3  MET  37           1HG      MET  37 -11.683   2.873  -9.444
  269    HE1  MET  37           3HE      MET  37 -11.880   0.865 -12.787
  270    HE2  MET  37           1HE      MET  37 -12.587  -0.667 -12.269
  271    HE3  MET  37           2HE      MET  37 -10.947  -0.241 -11.777
  272    H    GLN  38           H        GLU  38 -12.467   6.013 -11.240
  273    HA   GLN  38           HA       GLU  38 -11.714   7.233  -8.707
  274    HB2  GLN  38           2HB      GLU  38 -13.959   7.891 -10.634
  275    HB3  GLN  38           1HB      GLU  38 -13.618   8.782  -9.158
  276    HG2  GLN  38           2HG      GLU  38 -12.705  10.005 -10.983
  277    HG3  GLN  38           1HG      GLU  38 -11.361   9.302 -10.080
  278    H    ASP  39           H        ASP  39 -12.185   5.807  -7.112
  279    HA   ASP  39           HA       ASP  39 -14.913   4.778  -6.947
  280    HB2  ASP  39           2HB      ASP  39 -13.098   3.167  -6.535
  281    HB3  ASP  39           1HB      ASP  39 -12.514   4.167  -5.211
  282    H1   ALA  40           1HT      ALA  40 -12.478   0.982   5.514
  283    H2   ALA  40           2HT      ALA  40 -11.394   0.738   6.800
  284    H3   ALA  40           3HT      ALA  40 -12.920   0.007   6.830
  285    HA   ALA  40           HA       ALA  40 -12.372  -1.368   4.957
  286    HB1  ALA  40           2HB      ALA  40 -10.902   0.181   3.807
  287    HB2  ALA  40           3HB      ALA  40 -10.078  -1.357   4.067
  288    HB3  ALA  40           1HB      ALA  40  -9.701   0.029   5.091
  289    HA   PRO  41           HA       PRO  41 -10.747  -3.947   8.242
  290    HB2  PRO  41           2HB      PRO  41 -11.493  -6.299   7.234
  291    HB3  PRO  41           1HB      PRO  41 -12.694  -5.147   7.831
  292    HG2  PRO  41           2HG      PRO  41 -11.916  -5.793   5.029
  293    HG3  PRO  41           1HG      PRO  41 -13.512  -5.412   5.698
  294    HD2  PRO  41           2HD      PRO  41 -11.834  -3.626   4.354
  295    HD3  PRO  41           1HD      PRO  41 -13.220  -3.189   5.370
  296    H    LEU  42           H        LEU  42  -9.247  -5.796   8.419
  297    HA   LEU  42           HA       LEU  42  -6.817  -5.250   7.226
  298    HB2  LEU  42           2HB      LEU  42  -7.864  -7.645   8.702
  299    HB3  LEU  42           1HB      LEU  42  -6.251  -7.666   8.022
  300    HG   LEU  42           HG       LEU  42  -6.146  -7.094  10.368
  301   HD11  LEU  42          1HD1      LEU  42  -4.940  -4.978  10.238
  302   HD12  LEU  42          2HD1      LEU  42  -5.609  -4.690   8.631
  303   HD13  LEU  42          3HD1      LEU  42  -4.516  -6.051   8.902
  304   HD21  LEU  42          3HD2      LEU  42  -7.159  -5.058  11.256
  305   HD22  LEU  42          1HD2      LEU  42  -8.385  -6.180  10.661
  306   HD23  LEU  42          2HD2      LEU  42  -7.942  -4.767   9.703
  307    H    SEP  43           H        SEP  43  -5.930  -5.702   5.367
  308    HA   SEP  43           HA       SEP  43  -7.197  -7.630   3.570
  309    HB2  SEP  43           1HB      SEP  43  -5.884  -6.471   1.817
  310    HB3  SEP  43           2HB      SEP  43  -5.159  -5.447   3.058
  311    HA   PRO  44           HA       PRO  44  -3.555 -10.325   3.501
  312    HB2  PRO  44           2HB      PRO  44  -3.075 -10.584   0.819
  313    HB3  PRO  44           1HB      PRO  44  -4.333 -11.480   1.677
  314    HG2  PRO  44           2HG      PRO  44  -4.574  -8.991   0.023
  315    HG3  PRO  44           1HG      PRO  44  -5.633 -10.414   0.065
  316    HD2  PRO  44           2HD      PRO  44  -6.266  -8.133   1.344
  317    HD3  PRO  44           1HD      PRO  44  -6.684  -9.725   2.013
  318    H    MET  45           H        MET  45  -1.273 -10.156   3.249
  319    HA   MET  45           HA       MET  45  -0.382  -7.498   2.350
  320    HB2  MET  45           2HB      MET  45   0.706  -9.158   4.628
  321    HB3  MET  45           1HB      MET  45   1.369  -7.620   4.093
  322    HG2  MET  45           2HG      MET  45  -0.693  -6.489   4.687
  323    HG3  MET  45           1HG      MET  45  -1.422  -8.025   5.147
  324    HE1  MET  45           3HE      MET  45  -0.610  -9.487   7.177
  325    HE2  MET  45           1HE      MET  45   0.684  -9.020   8.283
  326    HE3  MET  45           2HE      MET  45   1.059  -9.438   6.611
  327    H    SEP  46           H        SEP  46   1.600  -7.365   1.254
  328    HA   SEP  46           HA       SEP  46   2.533  -9.956   0.226
  329    HB2  SEP  46           1HB      SEP  46   2.793  -8.894  -1.992
  330    HB3  SEP  46           2HB      SEP  46   2.088  -7.410  -1.347
  331    HA   PRO  47           HA       PRO  47   6.454  -7.448  -0.101
  332    HB2  PRO  47           2HB      PRO  47   6.249  -4.632   0.036
  333    HB3  PRO  47           1HB      PRO  47   6.404  -5.614  -1.422
  334    HG2  PRO  47           2HG      PRO  47   4.185  -4.090  -0.707
  335    HG3  PRO  47           1HG      PRO  47   4.211  -5.365  -1.930
  336    HD2  PRO  47           2HD      PRO  47   3.269  -5.491   0.907
  337    HD3  PRO  47           1HD      PRO  47   2.624  -6.301  -0.540
  338    HA   PRO  48           HA       PRO  48   7.516  -6.697   4.157
  339    HB2  PRO  48           2HB      PRO  48  10.172  -6.294   3.877
  340    HB3  PRO  48           1HB      PRO  48   9.432  -7.889   3.680
  341    HG2  PRO  48           2HG      PRO  48  10.251  -5.912   1.574
  342    HG3  PRO  48           1HG      PRO  48  10.524  -7.666   1.625
  343    HD2  PRO  48           2HD      PRO  48   8.526  -6.539   0.183
  344    HD3  PRO  48           1HD      PRO  48   8.377  -8.145   0.927
  345    H    GLY  49           H        GLY  49   7.862  -4.977   5.545
  346    HA2  GLY  49           2HA      GLY  49   9.271  -2.752   5.431
  347    HA3  GLY  49           1HA      GLY  49   7.991  -2.336   4.304
  348    H    TYR  50           H        TYR  50   5.801  -2.336   5.097
  349    HA   TYR  50           HA       TYR  50   5.635  -0.976   7.591
  350    HB2  TYR  50           2HB      TYR  50   4.135  -0.835   5.405
  351    HB3  TYR  50           1HB      TYR  50   3.183  -2.055   6.249
  352    HD1  TYR  50           1HD      TYR  50   4.282   1.450   6.274
  353    HD2  TYR  50           2HD      TYR  50   1.945  -1.511   8.231
  354    HE1  TYR  50           1HE      TYR  50   3.180   3.203   7.597
  355    HE2  TYR  50           2HE      TYR  50   0.832   0.231   9.557
  356    HH   TYR  50           HH       TYR  50   0.951   3.476   8.819
  357    H    LYS  51           H        LYS  51   5.010  -4.224   6.498
  358    HA   LYS  51           HA       LYS  51   4.592  -5.048   9.285
  359    HB2  LYS  51           2HB      LYS  51   3.024  -5.950   6.863
  360    HB3  LYS  51           1HB      LYS  51   3.034  -6.828   8.388
  361    HG2  LYS  51           2HG      LYS  51   2.198  -3.950   8.140
  362    HG3  LYS  51           1HG      LYS  51   1.078  -5.306   8.014
  363    HD2  LYS  51           2HD      LYS  51   1.748  -6.040  10.279
  364    HD3  LYS  51           1HD      LYS  51   2.816  -4.643  10.399
  365    HE2  LYS  51           2HE      LYS  51   0.703  -4.259  11.561
  366    HE3  LYS  51           1HE      LYS  51   0.898  -3.148  10.204
  367    HZ1  LYS  51           3HZ      LYS  51  -0.534  -4.622   8.888
  368    HZ2  LYS  51           1HZ      LYS  51  -1.336  -4.022  10.250
  369    HZ3  LYS  51           2HZ      LYS  51  -0.767  -5.616  10.241
  370    H    LEU  52           H        LEU  52   5.321  -7.184   9.743
  371    HA   LEU  52           HA       LEU  52   6.937  -8.497   7.688
  372    HB2  LEU  52           2HB      LEU  52   7.939  -7.694  10.421
  373    HB3  LEU  52           1HB      LEU  52   8.767  -8.825   9.371
  374    HG   LEU  52           HG       LEU  52   8.222  -5.935   8.666
  375   HD11  LEU  52          1HD1      LEU  52   9.769  -6.099  10.536
  376   HD12  LEU  52          2HD1      LEU  52  10.607  -5.595   9.067
  377   HD13  LEU  52          3HD1      LEU  52  10.746  -7.258   9.636
  378   HD21  LEU  52          3HD2      LEU  52   8.439  -7.440   6.737
  379   HD22  LEU  52          1HD2      LEU  52   9.992  -7.998   7.361
  380   HD23  LEU  52          2HD2      LEU  52   9.794  -6.319   6.858
  381    H    VAL  53           H        VAL  53   7.886 -10.621   8.813
  382    HA   VAL  53           HA       VAL  53   5.537 -12.007   9.843
  383    HB   VAL  53           HB       VAL  53   8.218 -13.172   9.058
  384   HG11  VAL  53          1HG1      VAL  53   6.862 -14.562  10.588
  385   HG12  VAL  53          2HG1      VAL  53   7.065 -15.304   9.004
  386   HG13  VAL  53          3HG1      VAL  53   5.539 -14.527   9.422
  387   HG21  VAL  53          3HG2      VAL  53   5.689 -12.980   7.419
  388   HG22  VAL  53          1HG2      VAL  53   7.175 -13.801   6.944
  389   HG23  VAL  53          2HG2      VAL  53   7.164 -12.051   7.155
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  -5.156  20.395  -5.063
    2    H2   GLY   1           2HT      GLY   1  -6.231  21.560  -4.460
    3    H3   GLY   1           3HT      GLY   1  -5.835  21.546  -6.106
    4    HA2  GLY   1           1HA      GLY   1  -8.054  20.612  -5.649
    5    HA3  GLY   1           2HA      GLY   1  -6.961  19.491  -6.455
    6    H    SER   2           H        SER   2  -8.683  18.011  -5.478
    7    HA   SER   2           HA       SER   2  -7.783  17.216  -2.786
    8    HB2  SER   2           2HB      SER   2 -10.568  16.868  -3.922
    9    HB3  SER   2           1HB      SER   2 -10.038  16.436  -2.297
   10    HG   SER   2           HG       SER   2 -10.998  18.753  -3.119
   11    H    SER   3           H        SER   3  -7.669  16.395  -5.937
   12    HA   SER   3           HA       SER   3  -8.057  13.532  -5.614
   13    HB2  SER   3           2HB      SER   3  -7.106  15.094  -8.029
   14    HB3  SER   3           1HB      SER   3  -7.611  13.406  -8.009
   15    HG   SER   3           HG       SER   3  -9.307  14.715  -8.721
   16    H    SER   4           H        SER   4  -6.400  12.019  -5.682
   17    HA   SER   4           HA       SER   4  -3.650  13.014  -5.743
   18    HB2  SER   4           2HB      SER   4  -4.807  11.354  -3.486
   19    HB3  SER   4           1HB      SER   4  -3.104  11.781  -3.667
   20    HG   SER   4           HG       SER   4  -4.929  13.879  -3.727
   21    H    GLY   5           H        GLY   5  -5.555  11.177  -7.349
   22    HA2  GLY   5           2HA      GLY   5  -5.240   9.292  -8.646
   23    HA3  GLY   5           1HA      GLY   5  -3.631   9.149  -7.955
   24    H    LEU   6           H        LEU   6  -3.769   8.559  -5.501
   25    HA   LEU   6           HA       LEU   6  -5.375   6.116  -5.336
   26    HB2  LEU   6           2HB      LEU   6  -3.793   5.795  -3.258
   27    HB3  LEU   6           1HB      LEU   6  -3.246   5.437  -4.880
   28    HG   LEU   6           HG       LEU   6  -2.146   7.685  -4.937
   29   HD11  LEU   6          1HD1      LEU   6  -1.749   8.809  -2.797
   30   HD12  LEU   6          2HD1      LEU   6  -2.863   7.691  -2.013
   31   HD13  LEU   6          3HD1      LEU   6  -3.458   8.815  -3.235
   32   HD21  LEU   6          3HD2      LEU   6  -0.269   7.029  -3.525
   33   HD22  LEU   6          1HD2      LEU   6  -0.888   5.667  -4.463
   34   HD23  LEU   6          2HD2      LEU   6  -1.284   5.811  -2.749
   35    HA   PRO   7           HA       PRO   7  -8.154   7.680  -2.294
   36    HB2  PRO   7           2HB      PRO   7  -7.712   5.165  -0.779
   37    HB3  PRO   7           1HB      PRO   7  -9.216   5.860  -1.391
   38    HG2  PRO   7           2HG      PRO   7  -8.135   3.748  -2.585
   39    HG3  PRO   7           1HG      PRO   7  -8.858   5.053  -3.547
   40    HD2  PRO   7           2HD      PRO   7  -5.969   4.494  -2.977
   41    HD3  PRO   7           1HD      PRO   7  -6.739   4.973  -4.502
   42    HA   PRO   8           HA       PRO   8  -5.810   9.596   0.945
   43    HB2  PRO   8           2HB      PRO   8  -8.328   9.262   2.511
   44    HB3  PRO   8           1HB      PRO   8  -7.353  10.714   2.251
   45    HG2  PRO   8           2HG      PRO   8  -9.636  10.384   0.940
   46    HG3  PRO   8           1HG      PRO   8  -8.222  11.072   0.122
   47    HD2  PRO   8           2HD      PRO   8  -9.376   8.324  -0.077
   48    HD3  PRO   8           1HD      PRO   8  -8.636   9.330  -1.336
   49    H    GLY   9           H        GLY   9  -4.412   8.726   2.306
   50    HA2  GLY   9           2HA      GLY   9  -3.862   7.500   4.284
   51    HA3  GLY   9           1HA      GLY   9  -5.258   6.474   3.987
   52    H    TRP  10           H        TRP  10  -4.251   6.547   1.037
   53    HA   TRP  10           HA       TRP  10  -2.579   4.190   1.344
   54    HB2  TRP  10           2HB      TRP  10  -4.005   5.407  -1.028
   55    HB3  TRP  10           1HB      TRP  10  -2.918   4.024  -1.164
   56    HD1  TRP  10           HD       TRP  10  -6.194   4.981   0.695
   57    HE1  TRP  10           1HE      TRP  10  -7.563   2.824   1.024
   58    HE3  TRP  10           3HE      TRP  10  -2.886   1.637  -1.235
   59    HZ2  TRP  10           2HZ      TRP  10  -7.262   0.052   0.522
   60    HZ3  TRP  10           3HZ      TRP  10  -3.475  -0.743  -1.276
   61    HH2  TRP  10           HH       TRP  10  -5.616  -1.517  -0.421
   62    H    GLU  11           H        GLU  11  -0.458   4.145   0.999
   63    HA   GLU  11           HA       GLU  11   0.813   6.602  -0.004
   64    HB2  GLU  11           2HB      GLU  11   1.442   6.057   2.267
   65    HB3  GLU  11           1HB      GLU  11   1.848   4.414   1.798
   66    HG2  GLU  11           2HG      GLU  11   3.858   5.705   2.114
   67    HG3  GLU  11           1HG      GLU  11   3.684   5.253   0.420
   68    H    GLU  12           H        GLU  12   2.454   6.497  -1.533
   69    HA   GLU  12           HA       GLU  12   2.427   4.087  -3.213
   70    HB2  GLU  12           2HB      GLU  12   1.900   6.418  -4.115
   71    HB3  GLU  12           1HB      GLU  12   3.590   6.810  -3.845
   72    HG2  GLU  12           2HG      GLU  12   2.746   4.503  -5.567
   73    HG3  GLU  12           1HG      GLU  12   2.877   6.142  -6.195
   74    H    LYS  13           H        LYS  13   4.095   2.705  -2.981
   75    HA   LYS  13           HA       LYS  13   6.762   3.731  -2.388
   76    HB2  LYS  13           2HB      LYS  13   5.193   1.903  -0.594
   77    HB3  LYS  13           1HB      LYS  13   6.949   1.849  -0.625
   78    HG2  LYS  13           2HG      LYS  13   5.458   4.406  -0.144
   79    HG3  LYS  13           1HG      LYS  13   5.843   3.283   1.164
   80    HD2  LYS  13           2HD      LYS  13   8.159   3.552   0.863
   81    HD3  LYS  13           1HD      LYS  13   7.947   4.286  -0.729
   82    HE2  LYS  13           2HE      LYS  13   6.971   5.560   1.821
   83    HE3  LYS  13           1HE      LYS  13   8.559   5.878   1.124
   84    HZ1  LYS  13           3HZ      LYS  13   7.469   6.650  -0.899
   85    HZ2  LYS  13           1HZ      LYS  13   6.981   7.562   0.440
   86    HZ3  LYS  13           2HZ      LYS  13   5.950   6.383  -0.213
   87    H    GLN  14           H        GLN  14   8.339   1.764  -2.277
   88    HA   GLN  14           HA       GLN  14   7.578  -0.086  -4.426
   89    HB2  GLN  14           2HB      GLN  14  10.210  -0.121  -4.740
   90    HB3  GLN  14           1HB      GLN  14   9.211   1.099  -5.512
   91    HG2  GLN  14           2HG      GLN  14  11.091   2.202  -4.610
   92    HG3  GLN  14           1HG      GLN  14   9.716   2.609  -3.597
   93   HE21  GLN  14          1HE2      GLN  14  11.443  -0.448  -3.459
   94   HE22  GLN  14          2HE2      GLN  14  12.073  -0.222  -1.867
   95    H    ASP  15           H        ASP  15   8.067  -2.209  -4.233
   96    HA   ASP  15           HA       ASP  15   8.650  -3.299  -1.652
   97    HB2  ASP  15           2HB      ASP  15   8.716  -4.623  -4.370
   98    HB3  ASP  15           1HB      ASP  15   8.798  -5.469  -2.840
   99    H    ASP  16           H        ASP  16  10.528  -4.559  -1.107
  100    HA   ASP  16           HA       ASP  16  13.059  -3.748  -1.933
  101    HB2  ASP  16           2HB      ASP  16  12.678  -5.047   0.106
  102    HB3  ASP  16           1HB      ASP  16  12.172  -6.437  -0.848
  103    H    ARG  17           H        ARG  17  10.786  -5.936  -3.355
  104    HA   ARG  17           HA       ARG  17  12.638  -7.164  -5.176
  105    HB2  ARG  17           2HB      ARG  17   9.616  -7.183  -5.105
  106    HB3  ARG  17           1HB      ARG  17  10.602  -8.143  -6.198
  107    HG2  ARG  17           2HG      ARG  17  10.547  -8.356  -3.196
  108    HG3  ARG  17           1HG      ARG  17   9.850  -9.496  -4.350
  109    HD2  ARG  17           2HD      ARG  17  12.135  -9.832  -5.282
  110    HD3  ARG  17           1HD      ARG  17  12.764  -8.837  -3.972
  111    HE   ARG  17           HE       ARG  17  11.287 -11.353  -3.493
  112   HH11  ARG  17          1HH1      ARG  17  13.952  -9.181  -2.832
  113   HH12  ARG  17          2HH1      ARG  17  14.658 -10.198  -1.620
  114   HH21  ARG  17          1HH2      ARG  17  12.210 -12.711  -1.902
  115   HH22  ARG  17          2HH2      ARG  17  13.662 -12.216  -1.083
  116    H    GLY  18           H        GLY  18  11.253  -4.143  -5.068
  117    HA2  GLY  18           2HA      GLY  18  11.637  -2.453  -6.621
  118    HA3  GLY  18           1HA      GLY  18  12.077  -3.667  -7.807
  119    H    ARG  19           H        ARG  19   9.073  -3.988  -6.105
  120    HA   ARG  19           HA       ARG  19   7.639  -3.287  -8.568
  121    HB2  ARG  19           2HB      ARG  19   6.619  -4.715  -6.101
  122    HB3  ARG  19           1HB      ARG  19   5.736  -4.474  -7.601
  123    HG2  ARG  19           2HG      ARG  19   8.193  -6.171  -7.212
  124    HG3  ARG  19           1HG      ARG  19   6.543  -6.729  -7.495
  125    HD2  ARG  19           2HD      ARG  19   8.214  -5.109  -9.412
  126    HD3  ARG  19           1HD      ARG  19   7.900  -6.841  -9.531
  127    HE   ARG  19           HE       ARG  19   5.413  -5.903  -9.540
  128   HH11  ARG  19          1HH1      ARG  19   8.223  -4.722 -11.257
  129   HH12  ARG  19          2HH1      ARG  19   7.309  -4.111 -12.601
  130   HH21  ARG  19          1HH2      ARG  19   4.212  -5.152 -11.287
  131   HH22  ARG  19          2HH2      ARG  19   5.005  -4.376 -12.628
  132    H    SER  20           H        SER  20   5.752  -1.893  -8.415
  133    HA   SER  20           HA       SER  20   5.998   0.060  -6.266
  134    HB2  SER  20           2HB      SER  20   4.318   0.085  -8.783
  135    HB3  SER  20           1HB      SER  20   4.432   1.415  -7.628
  136    HG   SER  20           HG       SER  20   6.852   0.461  -8.548
  137    H    TYR  21           H        TYR  21   4.904  -0.389  -4.461
  138    HA   TYR  21           HA       TYR  21   2.256  -1.634  -4.751
  139    HB2  TYR  21           2HB      TYR  21   2.515  -2.655  -2.599
  140    HB3  TYR  21           1HB      TYR  21   3.955  -3.017  -3.535
  141    HD1  TYR  21           1HD      TYR  21   2.747  -0.483  -1.039
  142    HD2  TYR  21           2HD      TYR  21   5.985  -2.839  -2.464
  143    HE1  TYR  21           1HE      TYR  21   4.132   0.297   0.838
  144    HE2  TYR  21           2HE      TYR  21   7.379  -2.065  -0.603
  145    HH   TYR  21           HH       TYR  21   7.537  -0.293   0.966
  146    H    TYR  22           H        TYR  22   0.794  -1.113  -2.840
  147    HA   TYR  22           HA       TYR  22   1.214   1.655  -1.949
  148    HB2  TYR  22           2HB      TYR  22  -1.458   0.412  -2.676
  149    HB3  TYR  22           1HB      TYR  22  -1.197   2.034  -2.035
  150    HD1  TYR  22           2HD      TYR  22   0.412   3.560  -3.416
  151    HD2  TYR  22           1HD      TYR  22  -1.588   0.153  -4.985
  152    HE1  TYR  22           2HE      TYR  22   0.676   4.459  -5.688
  153    HE2  TYR  22           1HE      TYR  22  -1.332   1.047  -7.261
  154    HH   TYR  22           HH       TYR  22  -1.045   3.279  -8.326
  155    H    VAL  23           H        VAL  23   1.135   1.931   0.182
  156    HA   VAL  23           HA       VAL  23   0.229  -0.357   1.780
  157    HB   VAL  23           HB       VAL  23   2.524   0.097   2.257
  158   HG11  VAL  23          1HG1      VAL  23   2.632   2.386   1.379
  159   HG12  VAL  23          2HG1      VAL  23   3.361   2.270   2.979
  160   HG13  VAL  23          3HG1      VAL  23   1.752   2.963   2.789
  161   HG21  VAL  23          3HG2      VAL  23   2.440   0.732   4.642
  162   HG22  VAL  23          1HG2      VAL  23   1.213  -0.453   4.201
  163   HG23  VAL  23          2HG2      VAL  23   0.766   1.239   4.420
  164    H    ASP  24           H        ASP  24  -1.620  -0.199   2.735
  165    HA   ASP  24           HA       ASP  24  -3.069   2.251   2.966
  166    HB2  ASP  24           2HB      ASP  24  -4.349   0.249   2.647
  167    HB3  ASP  24           1HB      ASP  24  -3.571  -0.541   4.013
  168    H    HIS  25           H        HIS  25  -2.791   3.733   4.516
  169    HA   HIS  25           HA       HIS  25  -1.302   3.052   6.897
  170    HB2  HIS  25           2HB      HIS  25  -2.435   5.641   5.863
  171    HB3  HIS  25           1HB      HIS  25  -1.732   5.510   7.471
  172    HD1  HIS  25           1HD      HIS  25   0.838   4.344   7.338
  173    HD2  HIS  25           2HD      HIS  25  -0.607   6.449   4.052
  174    HE1  HIS  25           1HE      HIS  25   2.862   4.929   5.966
  175    HE2  HIS  25           2HE      HIS  25   1.987   6.443   4.156
  176    H    ASN  26           H        ASN  26  -4.556   2.898   6.061
  177    HA   ASN  26           HA       ASN  26  -5.683   3.737   8.563
  178    HB2  ASN  26           2HB      ASN  26  -6.852   2.060   6.327
  179    HB3  ASN  26           1HB      ASN  26  -7.761   2.623   7.723
  180   HD21  ASN  26          1HD2      ASN  26  -6.281   3.474   4.721
  181   HD22  ASN  26          2HD2      ASN  26  -6.967   5.068   4.598
  182    H    SER  27           H        SER  27  -5.179   0.553   7.032
  183    HA   SER  27           HA       SER  27  -5.418  -0.712   9.668
  184    HB2  SER  27           2HB      SER  27  -4.949  -2.123   7.043
  185    HB3  SER  27           1HB      SER  27  -5.696  -2.751   8.509
  186    HG   SER  27           HG       SER  27  -6.760  -0.822   6.717
  187    H    LYS  28           H        LYS  28  -3.135   0.619   7.708
  188    HA   LYS  28           HA       LYS  28  -0.900   0.615   7.524
  189    HB2  LYS  28           2HB      LYS  28  -1.081  -0.585  10.290
  190    HB3  LYS  28           1HB      LYS  28   0.420  -0.046   9.539
  191    HG2  LYS  28           2HG      LYS  28  -0.587   2.211   9.289
  192    HG3  LYS  28           1HG      LYS  28  -1.975   1.646  10.210
  193    HD2  LYS  28           2HD      LYS  28   0.875   1.742  11.192
  194    HD3  LYS  28           1HD      LYS  28  -0.394   2.894  11.602
  195    HE2  LYS  28           2HE      LYS  28  -1.694   0.941  12.529
  196    HE3  LYS  28           1HE      LYS  28  -0.227  -0.020  12.334
  197    HZ1  LYS  28           3HZ      LYS  28  -0.184   0.753  14.536
  198    HZ2  LYS  28           1HZ      LYS  28  -0.654   2.324  14.094
  199    HZ3  LYS  28           2HZ      LYS  28   0.895   1.764  13.707
  200    H    THR  29           H        THR  29  -1.260  -0.834   5.799
  201    HA   THR  29           HA       THR  29   0.045  -3.417   6.156
  202    HB   THR  29           HB       THR  29  -2.728  -3.159   4.958
  203    HG1  THR  29           1HG      THR  29  -2.419  -3.035   7.364
  204   HG21  THR  29          3HG2      THR  29  -2.686  -5.627   4.951
  205   HG22  THR  29          1HG2      THR  29  -1.005  -5.580   5.476
  206   HG23  THR  29          2HG2      THR  29  -1.453  -4.929   3.899
  207    H    THR  30           H        THR  30   1.393  -3.713   4.524
  208    HA   THR  30           HA       THR  30   1.246  -2.080   2.145
  209    HB   THR  30           HB       THR  30   3.251  -4.052   3.229
  210    HG1  THR  30           1HG      THR  30   4.482  -1.911   2.813
  211   HG21  THR  30          3HG2      THR  30   3.399  -2.626   0.572
  212   HG22  THR  30          1HG2      THR  30   3.203  -4.364   0.803
  213   HG23  THR  30          2HG2      THR  30   4.691  -3.570   1.314
  214    H    THR  31           H        THR  31   0.454  -2.722   0.206
  215    HA   THR  31           HA       THR  31   0.252  -5.571  -0.361
  216    HB   THR  31           HB       THR  31  -1.909  -4.945   0.687
  217    HG1  THR  31           1HG      THR  31  -2.631  -5.384  -1.964
  218   HG21  THR  31          3HG2      THR  31  -2.262  -3.167  -1.731
  219   HG22  THR  31          1HG2      THR  31  -1.989  -2.600  -0.083
  220   HG23  THR  31          2HG2      THR  31  -3.464  -3.479  -0.480
  221    H    TRP  32           H        TRP  32  -0.398  -5.950  -2.643
  222    HA   TRP  32           HA       TRP  32   1.266  -4.524  -4.393
  223    HB2  TRP  32           2HB      TRP  32  -0.335  -5.865  -6.112
  224    HB3  TRP  32           1HB      TRP  32   1.020  -6.592  -5.258
  225    HD1  TRP  32           HD       TRP  32   0.514  -8.455  -3.538
  226    HE1  TRP  32           1HE      TRP  32  -1.615  -9.675  -2.776
  227    HE3  TRP  32           3HE      TRP  32  -2.959  -5.415  -5.726
  228    HZ2  TRP  32           2HZ      TRP  32  -4.418  -9.373  -3.070
  229    HZ3  TRP  32           3HZ      TRP  32  -5.342  -5.942  -5.442
  230    HH2  TRP  32           HH       TRP  32  -6.058  -7.881  -4.141
  231    H    SER  33           H        SER  33   0.248  -3.924  -6.668
  232    HA   SER  33           HA       SER  33  -0.622  -1.329  -6.243
  233    HB2  SER  33           2HB      SER  33  -0.972  -2.855  -8.824
  234    HB3  SER  33           1HB      SER  33  -0.690  -1.128  -8.615
  235    HG   SER  33           HG       SER  33   1.382  -1.774  -7.640
  236    H    LYS  34           H        LYS  34  -2.474  -0.688  -5.494
  237    HA   LYS  34           HA       LYS  34  -4.981  -1.987  -6.245
  238    HB2  LYS  34           2HB      LYS  34  -4.372   0.084  -4.122
  239    HB3  LYS  34           1HB      LYS  34  -5.972  -0.563  -4.451
  240    HG2  LYS  34           2HG      LYS  34  -3.589  -1.999  -3.323
  241    HG3  LYS  34           1HG      LYS  34  -5.139  -1.683  -2.551
  242    HD2  LYS  34           2HD      LYS  34  -4.572  -3.577  -4.825
  243    HD3  LYS  34           1HD      LYS  34  -5.061  -3.989  -3.184
  244    HE2  LYS  34           2HE      LYS  34  -6.731  -2.502  -5.204
  245    HE3  LYS  34           1HE      LYS  34  -6.909  -4.200  -4.784
  246    HZ1  LYS  34           3HZ      LYS  34  -7.454  -1.840  -3.079
  247    HZ2  LYS  34           1HZ      LYS  34  -7.364  -3.411  -2.454
  248    HZ3  LYS  34           2HZ      LYS  34  -8.543  -3.017  -3.603
  249    HA   PRO  35           HA       PRO  35  -6.709   0.935  -9.019
  250    HB2  PRO  35           2HB      PRO  35  -8.493   2.443  -7.477
  251    HB3  PRO  35           1HB      PRO  35  -8.864   0.922  -8.301
  252    HG2  PRO  35           2HG      PRO  35  -7.986   1.370  -5.465
  253    HG3  PRO  35           1HG      PRO  35  -9.292   0.338  -6.069
  254    HD2  PRO  35           2HD      PRO  35  -7.042  -0.802  -5.418
  255    HD3  PRO  35           1HD      PRO  35  -7.744  -1.216  -7.003
  256    H    THR  36           H        THR  36  -5.859   2.716  -9.844
  257    HA   THR  36           HA       THR  36  -5.287   5.003  -8.103
  258    HB   THR  36           HB       THR  36  -3.322   4.059 -10.204
  259    HG1  THR  36           1HG      THR  36  -3.749   3.022  -7.784
  260   HG21  THR  36          3HG2      THR  36  -1.805   5.628  -9.082
  261   HG22  THR  36          1HG2      THR  36  -3.095   6.075  -7.961
  262   HG23  THR  36          2HG2      THR  36  -3.247   6.451  -9.678
  263    H    MET  37           H        MET  37  -6.200   6.782  -8.939
  264    HA   MET  37           HA       MET  37  -7.115   6.835 -11.673
  265    HB2  MET  37           2HB      MET  37  -7.057   8.989  -9.545
  266    HB3  MET  37           1HB      MET  37  -7.781   9.190 -11.133
  267    HG2  MET  37           2HG      MET  37  -9.351   7.384 -10.632
  268    HG3  MET  37           1HG      MET  37  -8.649   7.230  -9.022
  269    HE1  MET  37           3HE      MET  37  -8.660   9.252  -7.237
  270    HE2  MET  37           1HE      MET  37  -9.523  10.770  -7.489
  271    HE3  MET  37           2HE      MET  37  -8.077  10.407  -8.435
  272    H    GLN  38           H        GLU  38  -6.307   8.158 -13.331
  273    HA   GLN  38           HA       GLU  38  -3.457   8.580 -13.156
  274    HB2  GLN  38           2HB      GLU  38  -5.343   9.181 -15.445
  275    HB3  GLN  38           1HB      GLU  38  -3.588   9.166 -15.524
  276    HG2  GLN  38           2HG      GLU  38  -5.354   6.799 -14.958
  277    HG3  GLN  38           1HG      GLU  38  -4.539   7.149 -16.482
  278    H    ASP  39           H        ASP  39  -3.586  10.195 -11.479
  279    HA   ASP  39           HA       ASP  39  -4.337  12.851 -12.466
  280    HB2  ASP  39           2HB      ASP  39  -3.703  11.857  -9.680
  281    HB3  ASP  39           1HB      ASP  39  -3.917  13.557 -10.067
  282    H1   ALA  40           1HT      ALA  40  -9.998  -7.033   0.964
  283    H2   ALA  40           2HT      ALA  40 -11.441  -7.430   1.763
  284    H3   ALA  40           3HT      ALA  40  -9.961  -8.045   2.323
  285    HA   ALA  40           HA       ALA  40 -10.649  -5.171   2.244
  286    HB1  ALA  40           2HB      ALA  40 -12.103  -6.384   3.799
  287    HB2  ALA  40           3HB      ALA  40 -10.978  -5.328   4.650
  288    HB3  ALA  40           1HB      ALA  40 -10.685  -7.067   4.592
  289    HA   PRO  41           HA       PRO  41  -6.318  -4.618   3.170
  290    HB2  PRO  41           2HB      PRO  41  -7.037  -2.586   5.176
  291    HB3  PRO  41           1HB      PRO  41  -6.105  -2.408   3.689
  292    HG2  PRO  41           2HG      PRO  41  -8.585  -1.409   3.926
  293    HG3  PRO  41           1HG      PRO  41  -7.989  -2.069   2.391
  294    HD2  PRO  41           2HD      PRO  41  -9.799  -3.328   4.423
  295    HD3  PRO  41           1HD      PRO  41  -9.904  -3.358   2.649
  296    H    LEU  42           H        LEU  42  -4.789  -4.675   4.991
  297    HA   LEU  42           HA       LEU  42  -3.957  -5.347   6.990
  298    HB2  LEU  42           2HB      LEU  42  -5.909  -4.218   8.007
  299    HB3  LEU  42           1HB      LEU  42  -6.815  -5.713   7.885
  300    HG   LEU  42           HG       LEU  42  -5.199  -6.787   9.416
  301   HD11  LEU  42          1HD1      LEU  42  -3.635  -5.357  10.668
  302   HD12  LEU  42          2HD1      LEU  42  -4.037  -4.009   9.607
  303   HD13  LEU  42          3HD1      LEU  42  -3.238  -5.437   8.952
  304   HD21  LEU  42          3HD2      LEU  42  -7.256  -5.814  10.284
  305   HD22  LEU  42          1HD2      LEU  42  -6.454  -4.252  10.457
  306   HD23  LEU  42          2HD2      LEU  42  -5.932  -5.624  11.434
  307    H    SEP  43           H        SEP  43  -6.167  -7.279   5.172
  308    HA   SEP  43           HA       SEP  43  -5.835  -9.688   6.639
  309    HB2  SEP  43           1HB      SEP  43  -6.839 -10.830   4.694
  310    HB3  SEP  43           2HB      SEP  43  -6.727  -9.329   3.770
  311    HA   PRO  44           HA       PRO  44  -2.875 -11.282   3.331
  312    HB2  PRO  44           2HB      PRO  44  -2.145  -9.279   1.385
  313    HB3  PRO  44           1HB      PRO  44  -3.048 -10.774   1.139
  314    HG2  PRO  44           2HG      PRO  44  -4.146  -8.280   0.903
  315    HG3  PRO  44           1HG      PRO  44  -5.068  -9.735   1.323
  316    HD2  PRO  44           2HD      PRO  44  -4.012  -7.577   3.111
  317    HD3  PRO  44           1HD      PRO  44  -5.580  -8.412   3.159
  318    H    MET  45           H        MET  45  -1.661  -8.000   2.722
  319    HA   MET  45           HA       MET  45   0.405  -7.095   2.982
  320    HB2  MET  45           2HB      MET  45  -0.387  -7.124   5.377
  321    HB3  MET  45           1HB      MET  45   0.495  -8.630   5.587
  322    HG2  MET  45           2HG      MET  45   2.579  -7.496   5.049
  323    HG3  MET  45           1HG      MET  45   1.702  -5.986   4.806
  324    HE1  MET  45           3HE      MET  45   2.759  -8.730   7.417
  325    HE2  MET  45           1HE      MET  45   1.000  -8.704   7.553
  326    HE3  MET  45           2HE      MET  45   1.997  -8.126   8.888
  327    H    SEP  46           H        SEP  46   0.847  -8.676   1.176
  328    HA   SEP  46           HA       SEP  46   2.400 -11.003   1.935
  329    HB2  SEP  46           1HB      SEP  46   2.210 -11.617  -0.450
  330    HB3  SEP  46           2HB      SEP  46   1.379 -10.086  -0.753
  331    HA   PRO  47           HA       PRO  47   5.520  -8.167  -0.914
  332    HB2  PRO  47           2HB      PRO  47   4.610  -5.893   0.830
  333    HB3  PRO  47           1HB      PRO  47   5.430  -5.833  -0.739
  334    HG2  PRO  47           2HG      PRO  47   2.826  -5.507  -0.650
  335    HG3  PRO  47           1HG      PRO  47   3.537  -6.553  -1.891
  336    HD2  PRO  47           2HD      PRO  47   2.037  -7.291   0.581
  337    HD3  PRO  47           1HD      PRO  47   2.100  -8.115  -0.990
  338    HA   PRO  48           HA       PRO  48   8.938  -9.019   1.650
  339    HB2  PRO  48           2HB      PRO  48   9.382  -6.055   1.425
  340    HB3  PRO  48           1HB      PRO  48  10.561  -7.372   1.326
  341    HG2  PRO  48           2HG      PRO  48   9.522  -6.232  -0.885
  342    HG3  PRO  48           1HG      PRO  48   9.937  -7.952  -0.819
  343    HD2  PRO  48           2HD      PRO  48   7.313  -6.680  -0.969
  344    HD3  PRO  48           1HD      PRO  48   7.752  -8.380  -1.225
  345    H    GLY  49           H        GLY  49   7.544  -5.844   2.696
  346    HA2  GLY  49           2HA      GLY  49   6.659  -6.766   5.155
  347    HA3  GLY  49           1HA      GLY  49   8.330  -6.293   5.392
  348    H    TYR  50           H        TYR  50   6.356  -5.140   6.801
  349    HA   TYR  50           HA       TYR  50   6.877  -2.391   6.392
  350    HB2  TYR  50           2HB      TYR  50   5.080  -2.515   4.736
  351    HB3  TYR  50           1HB      TYR  50   4.028  -3.322   5.899
  352    HD1  TYR  50           2HD      TYR  50   5.671  -0.092   5.081
  353    HD2  TYR  50           1HD      TYR  50   2.780  -2.090   7.496
  354    HE1  TYR  50           2HE      TYR  50   4.802   2.080   5.837
  355    HE2  TYR  50           1HE      TYR  50   1.895   0.081   8.244
  356    HH   TYR  50           HH       TYR  50   2.743   2.449   8.462
  357    H    LYS  51           H        LYS  51   4.749  -4.799   7.830
  358    HA   LYS  51           HA       LYS  51   3.883  -3.353  10.056
  359    HB2  LYS  51           2HB      LYS  51   3.380  -5.810   9.009
  360    HB3  LYS  51           1HB      LYS  51   4.296  -6.243  10.445
  361    HG2  LYS  51           2HG      LYS  51   1.863  -6.230  10.813
  362    HG3  LYS  51           1HG      LYS  51   2.721  -5.089  11.856
  363    HD2  LYS  51           2HD      LYS  51   2.075  -3.240  10.472
  364    HD3  LYS  51           1HD      LYS  51   1.404  -4.324   9.251
  365    HE2  LYS  51           2HE      LYS  51   0.360  -4.173  12.070
  366    HE3  LYS  51           1HE      LYS  51  -0.275  -3.188  10.753
  367    HZ1  LYS  51           3HZ      LYS  51  -0.105  -6.120  10.508
  368    HZ2  LYS  51           1HZ      LYS  51  -1.096  -5.044   9.660
  369    HZ3  LYS  51           2HZ      LYS  51  -1.420  -5.401  11.289
  370    H    LEU  52           H        LEU  52   4.763  -2.900  11.994
  371    HA   LEU  52           HA       LEU  52   7.631  -3.221  12.196
  372    HB2  LEU  52           2HB      LEU  52   5.712  -1.686  13.953
  373    HB3  LEU  52           1HB      LEU  52   7.461  -1.592  14.028
  374    HG   LEU  52           HG       LEU  52   7.285  -0.772  11.561
  375   HD11  LEU  52          1HD1      LEU  52   4.926  -1.297  11.237
  376   HD12  LEU  52          2HD1      LEU  52   5.220   0.434  11.061
  377   HD13  LEU  52          3HD1      LEU  52   4.493  -0.191  12.541
  378   HD21  LEU  52          3HD2      LEU  52   6.392   0.911  13.894
  379   HD22  LEU  52          1HD2      LEU  52   6.936   1.542  12.340
  380   HD23  LEU  52          2HD2      LEU  52   8.052   0.636  13.361
  381    H    VAL  53           H        VAL  53   5.465  -5.347  12.914
  382    HA   VAL  53           HA       VAL  53   6.592  -6.024  15.539
  383    HB   VAL  53           HB       VAL  53   4.493  -7.368  15.928
  384   HG11  VAL  53          1HG1      VAL  53   4.163  -4.382  15.631
  385   HG12  VAL  53          2HG1      VAL  53   4.888  -5.210  17.005
  386   HG13  VAL  53          3HG1      VAL  53   3.179  -5.436  16.645
  387   HG21  VAL  53          3HG2      VAL  53   3.407  -5.723  13.637
  388   HG22  VAL  53          1HG2      VAL  53   2.486  -6.818  14.668
  389   HG23  VAL  53          2HG2      VAL  53   3.722  -7.456  13.583
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1   0.002  11.586 -16.307
    2    H2   GLY   1           2HT      GLY   1   0.743  11.621 -17.827
    3    H3   GLY   1           3HT      GLY   1  -0.862  12.136 -17.659
    4    HA2  GLY   1           1HA      GLY   1   1.580  13.476 -16.657
    5    HA3  GLY   1           2HA      GLY   1   0.439  14.078 -17.853
    6    H    SER   2           H        SER   2   0.944  15.760 -15.906
    7    HA   SER   2           HA       SER   2   0.012  17.078 -14.326
    8    HB2  SER   2           2HB      SER   2  -2.487  15.443 -14.858
    9    HB3  SER   2           1HB      SER   2  -2.430  16.950 -13.948
   10    HG   SER   2           HG       SER   2  -2.803  17.780 -15.847
   11    H    SER   3           H        SER   3   1.276  14.475 -13.707
   12    HA   SER   3           HA       SER   3   1.879  13.291 -11.879
   13    HB2  SER   3           2HB      SER   3   1.750  15.548 -10.775
   14    HB3  SER   3           1HB      SER   3   0.100  15.160 -10.290
   15    HG   SER   3           HG       SER   3   2.533  14.198  -9.319
   16    H    SER   4           H        SER   4   0.476  12.511  -9.611
   17    HA   SER   4           HA       SER   4  -2.071  11.400 -10.449
   18    HB2  SER   4           2HB      SER   4   0.246   9.622  -9.626
   19    HB3  SER   4           1HB      SER   4  -1.401   9.085  -9.960
   20    HG   SER   4           HG       SER   4  -0.409  10.560 -12.000
   21    H    GLY   5           H        GLY   5  -3.155  10.316  -8.564
   22    HA2  GLY   5           2HA      GLY   5  -2.091  11.338  -6.018
   23    HA3  GLY   5           1HA      GLY   5  -3.743  11.698  -6.496
   24    H    LEU   6           H        LEU   6  -2.825  10.301  -4.149
   25    HA   LEU   6           HA       LEU   6  -4.061   7.681  -4.617
   26    HB2  LEU   6           2HB      LEU   6  -2.982   7.156  -2.335
   27    HB3  LEU   6           1HB      LEU   6  -1.974   7.179  -3.766
   28    HG   LEU   6           HG       LEU   6  -1.253   9.497  -3.140
   29   HD11  LEU   6          1HD1      LEU   6  -1.594  10.275  -0.880
   30   HD12  LEU   6          2HD1      LEU   6  -2.587   8.868  -0.510
   31   HD13  LEU   6          3HD1      LEU   6  -3.152  10.066  -1.676
   32   HD21  LEU   6          3HD2      LEU   6  -0.716   7.273  -1.185
   33   HD22  LEU   6          1HD2      LEU   6   0.258   8.732  -1.362
   34   HD23  LEU   6          2HD2      LEU   6   0.142   7.584  -2.694
   35    HA   PRO   7           HA       PRO   7  -7.457   8.735  -1.963
   36    HB2  PRO   7           2HB      PRO   7  -7.136   6.232  -0.442
   37    HB3  PRO   7           1HB      PRO   7  -8.483   6.760  -1.455
   38    HG2  PRO   7           2HG      PRO   7  -6.829   4.788  -2.216
   39    HG3  PRO   7           1HG      PRO   7  -7.527   5.926  -3.382
   40    HD2  PRO   7           2HD      PRO   7  -4.782   5.883  -2.189
   41    HD3  PRO   7           1HD      PRO   7  -5.277   6.213  -3.863
   42    HA   PRO   8           HA       PRO   8  -5.830  10.519   1.765
   43    HB2  PRO   8           2HB      PRO   8  -8.530  10.036   2.901
   44    HB3  PRO   8           1HB      PRO   8  -7.622  11.543   2.758
   45    HG2  PRO   8           2HG      PRO   8  -9.702  11.039   1.165
   46    HG3  PRO   8           1HG      PRO   8  -8.261  11.875   0.556
   47    HD2  PRO   8           2HD      PRO   8  -9.107   9.031   0.183
   48    HD3  PRO   8           1HD      PRO   8  -8.340  10.142  -0.972
   49    H    GLY   9           H        GLY   9  -4.551   9.449   3.095
   50    HA2  GLY   9           2HA      GLY   9  -4.213   8.122   5.047
   51    HA3  GLY   9           1HA      GLY   9  -5.627   7.172   4.615
   52    H    TRP  10           H        TRP  10  -3.732   7.776   1.913
   53    HA   TRP  10           HA       TRP  10  -2.365   5.185   2.204
   54    HB2  TRP  10           2HB      TRP  10  -3.401   6.650  -0.221
   55    HB3  TRP  10           1HB      TRP  10  -2.186   5.387  -0.366
   56    HD1  TRP  10           HD       TRP  10  -5.345   5.321   1.880
   57    HE1  TRP  10           1HE      TRP  10  -6.749   3.278   1.196
   58    HE3  TRP  10           3HE      TRP  10  -2.549   3.706  -2.082
   59    HZ2  TRP  10           2HZ      TRP  10  -6.677   1.244  -0.763
   60    HZ3  TRP  10           3HZ      TRP  10  -3.278   1.701  -3.314
   61    HH2  TRP  10           HH       TRP  10  -5.300   0.494  -2.663
   62    H    GLU  11           H        GLU  11  -0.191   5.073   2.018
   63    HA   GLU  11           HA       GLU  11   1.263   7.498   1.145
   64    HB2  GLU  11           2HB      GLU  11   2.263   5.330   3.006
   65    HB3  GLU  11           1HB      GLU  11   3.144   6.773   2.530
   66    HG2  GLU  11           2HG      GLU  11   0.644   6.667   4.185
   67    HG3  GLU  11           1HG      GLU  11   2.278   6.941   4.779
   68    H    GLU  12           H        GLU  12   2.915   7.205  -0.394
   69    HA   GLU  12           HA       GLU  12   3.225   4.440  -1.347
   70    HB2  GLU  12           2HB      GLU  12   3.981   5.325  -3.486
   71    HB3  GLU  12           1HB      GLU  12   2.396   5.959  -3.086
   72    HG2  GLU  12           2HG      GLU  12   4.879   7.529  -2.511
   73    HG3  GLU  12           1HG      GLU  12   4.145   7.527  -4.112
   74    H    LYS  13           H        LYS  13   5.022   3.444  -0.854
   75    HA   LYS  13           HA       LYS  13   7.527   4.962  -0.812
   76    HB2  LYS  13           2HB      LYS  13   8.352   3.703   1.137
   77    HB3  LYS  13           1HB      LYS  13   6.951   4.678   1.549
   78    HG2  LYS  13           2HG      LYS  13   5.579   2.833   1.807
   79    HG3  LYS  13           1HG      LYS  13   6.622   1.798   0.830
   80    HD2  LYS  13           2HD      LYS  13   8.334   1.889   2.594
   81    HD3  LYS  13           1HD      LYS  13   7.257   2.883   3.574
   82    HE2  LYS  13           2HE      LYS  13   5.718   1.111   3.853
   83    HE3  LYS  13           1HE      LYS  13   6.475   0.150   2.582
   84    HZ1  LYS  13           3HZ      LYS  13   7.061  -0.669   4.775
   85    HZ2  LYS  13           1HZ      LYS  13   7.706   0.837   5.202
   86    HZ3  LYS  13           2HZ      LYS  13   8.437  -0.095   3.981
   87    H    GLN  14           H        GLN  14   9.218   2.746  -0.276
   88    HA   GLN  14           HA       GLN  14   8.640   1.138  -2.677
   89    HB2  GLN  14           2HB      GLN  14  10.973   0.956  -3.096
   90    HB3  GLN  14           1HB      GLN  14  10.640   2.650  -2.783
   91    HG2  GLN  14           2HG      GLN  14  11.837   0.706  -0.818
   92    HG3  GLN  14           1HG      GLN  14  12.722   1.896  -1.762
   93   HE21  GLN  14          1HE2      GLN  14  10.606   1.361   0.922
   94   HE22  GLN  14          2HE2      GLN  14  10.774   2.945   1.626
   95    H    ASP  15           H        ASP  15   8.945  -1.095  -2.632
   96    HA   ASP  15           HA       ASP  15   8.939  -2.322  -0.002
   97    HB2  ASP  15           2HB      ASP  15   8.375  -4.355  -1.046
   98    HB3  ASP  15           1HB      ASP  15   7.512  -3.122  -1.957
   99    H    ASP  16           H        ASP  16  10.313  -4.708  -0.625
  100    HA   ASP  16           HA       ASP  16  12.971  -3.978   0.020
  101    HB2  ASP  16           2HB      ASP  16  12.028  -6.037   0.858
  102    HB3  ASP  16           1HB      ASP  16  11.736  -6.622  -0.775
  103    H    ARG  17           H        ARG  17  11.319  -4.719  -2.951
  104    HA   ARG  17           HA       ARG  17  13.821  -5.058  -4.401
  105    HB2  ARG  17           2HB      ARG  17  10.962  -5.252  -5.359
  106    HB3  ARG  17           1HB      ARG  17  12.391  -5.653  -6.308
  107    HG2  ARG  17           2HG      ARG  17  12.961  -7.417  -4.744
  108    HG3  ARG  17           1HG      ARG  17  11.569  -6.999  -3.746
  109    HD2  ARG  17           2HD      ARG  17  10.082  -7.558  -5.612
  110    HD3  ARG  17           1HD      ARG  17  11.481  -8.015  -6.586
  111    HE   ARG  17           HE       ARG  17  11.077  -9.374  -4.028
  112   HH11  ARG  17          1HH1      ARG  17  10.934  -9.463  -7.528
  113   HH12  ARG  17          2HH1      ARG  17  10.820 -11.195  -7.609
  114   HH21  ARG  17          1HH2      ARG  17  10.924 -11.662  -4.122
  115   HH22  ARG  17          2HH2      ARG  17  10.837 -12.445  -5.674
  116    H    GLY  18           H        GLY  18  12.087  -2.471  -3.429
  117    HA2  GLY  18           2HA      GLY  18  12.568  -0.251  -3.955
  118    HA3  GLY  18           1HA      GLY  18  13.419  -0.806  -5.387
  119    H    ARG  19           H        ARG  19  10.194  -1.939  -4.814
  120    HA   ARG  19           HA       ARG  19   9.261  -0.391  -7.112
  121    HB2  ARG  19           2HB      ARG  19   7.848  -2.527  -5.516
  122    HB3  ARG  19           1HB      ARG  19   7.321  -1.854  -7.054
  123    HG2  ARG  19           2HG      ARG  19   9.181  -2.839  -8.187
  124    HG3  ARG  19           1HG      ARG  19   9.882  -3.345  -6.648
  125    HD2  ARG  19           2HD      ARG  19   7.191  -4.265  -7.595
  126    HD3  ARG  19           1HD      ARG  19   8.679  -5.145  -7.939
  127    HE   ARG  19           HE       ARG  19   8.691  -4.776  -5.221
  128   HH11  ARG  19          1HH1      ARG  19   6.426  -6.206  -7.490
  129   HH12  ARG  19          2HH1      ARG  19   5.911  -7.444  -6.386
  130   HH21  ARG  19          1HH2      ARG  19   8.016  -6.375  -3.770
  131   HH22  ARG  19          2HH2      ARG  19   6.797  -7.531  -4.252
  132    H    SER  20           H        SER  20   7.803   1.252  -6.956
  133    HA   SER  20           HA       SER  20   7.230   2.274  -4.327
  134    HB2  SER  20           2HB      SER  20   6.186   3.216  -7.017
  135    HB3  SER  20           1HB      SER  20   6.146   4.116  -5.499
  136    HG   SER  20           HG       SER  20   8.637   3.374  -5.859
  137    H    TYR  21           H        TYR  21   5.768   1.249  -3.149
  138    HA   TYR  21           HA       TYR  21   3.288   0.404  -4.457
  139    HB2  TYR  21           2HB      TYR  21   3.141  -1.490  -2.931
  140    HB3  TYR  21           1HB      TYR  21   4.657  -1.550  -3.838
  141    HD1  TYR  21           1HD      TYR  21   5.470   0.861  -1.602
  142    HD2  TYR  21           2HD      TYR  21   4.440  -3.255  -1.621
  143    HE1  TYR  21           1HE      TYR  21   6.682   0.550   0.510
  144    HE2  TYR  21           2HE      TYR  21   5.646  -3.582   0.488
  145    HH   TYR  21           HH       TYR  21   7.329  -2.576   1.824
  146    H    TYR  22           H        TYR  22   1.501   0.089  -2.667
  147    HA   TYR  22           HA       TYR  22   1.534   2.660  -1.236
  148    HB2  TYR  22           2HB      TYR  22  -0.762   1.210  -2.565
  149    HB3  TYR  22           1HB      TYR  22  -0.939   2.663  -1.587
  150    HD1  TYR  22           1HD      TYR  22   0.389   1.305  -4.735
  151    HD2  TYR  22           2HD      TYR  22  -0.345   4.822  -2.458
  152    HE1  TYR  22           1HE      TYR  22   0.816   2.674  -6.728
  153    HE2  TYR  22           2HE      TYR  22   0.084   6.204  -4.447
  154    HH   TYR  22           HH       TYR  22   1.215   6.077  -6.566
  155    H    VAL  23           H        VAL  23   0.699   2.794   0.815
  156    HA   VAL  23           HA       VAL  23  -0.260   0.301   2.028
  157    HB   VAL  23           HB       VAL  23   2.041   0.483   2.716
  158   HG11  VAL  23          1HG1      VAL  23   2.419   2.852   2.354
  159   HG12  VAL  23          2HG1      VAL  23   2.874   2.408   3.999
  160   HG13  VAL  23          3HG1      VAL  23   1.354   3.251   3.700
  161   HG21  VAL  23          3HG2      VAL  23   0.497  -0.350   4.379
  162   HG22  VAL  23          1HG2      VAL  23   0.159   1.288   4.930
  163   HG23  VAL  23          2HG2      VAL  23   1.763   0.594   5.166
  164    H    ASP  24           H        ASP  24  -1.994   0.500   3.269
  165    HA   ASP  24           HA       ASP  24  -3.230   3.126   3.488
  166    HB2  ASP  24           2HB      ASP  24  -4.718   1.482   2.673
  167    HB3  ASP  24           1HB      ASP  24  -4.217   0.307   3.885
  168    H    HIS  25           H        HIS  25  -3.542   4.222   5.360
  169    HA   HIS  25           HA       HIS  25  -2.032   3.444   7.677
  170    HB2  HIS  25           2HB      HIS  25  -3.907   5.744   7.136
  171    HB3  HIS  25           1HB      HIS  25  -3.132   5.505   8.694
  172    HD1  HIS  25           1HD      HIS  25  -0.449   5.681   8.676
  173    HD2  HIS  25           2HD      HIS  25  -2.412   7.053   5.281
  174    HE1  HIS  25           1HE      HIS  25   1.185   7.178   7.495
  175    HE2  HIS  25           2HE      HIS  25  -0.058   8.072   5.488
  176    H    ASN  26           H        ASN  26  -5.276   2.979   6.646
  177    HA   ASN  26           HA       ASN  26  -6.441   2.900   9.273
  178    HB2  ASN  26           2HB      ASN  26  -7.559   2.026   6.601
  179    HB3  ASN  26           1HB      ASN  26  -8.478   2.115   8.100
  180   HD21  ASN  26          1HD2      ASN  26  -6.973   3.907   5.539
  181   HD22  ASN  26          2HD2      ASN  26  -7.671   5.445   5.945
  182    H    SER  27           H        SER  27  -5.801   0.452   6.772
  183    HA   SER  27           HA       SER  27  -6.446  -1.653   8.704
  184    HB2  SER  27           2HB      SER  27  -5.852  -2.127   5.797
  185    HB3  SER  27           1HB      SER  27  -6.952  -3.004   6.865
  186    HG   SER  27           HG       SER  27  -7.300  -0.457   5.662
  187    H    LYS  28           H        LYS  28  -3.757  -0.015   7.936
  188    HA   LYS  28           HA       LYS  28  -1.516  -0.371   8.106
  189    HB2  LYS  28           2HB      LYS  28  -2.516  -2.790   9.613
  190    HB3  LYS  28           1HB      LYS  28  -0.809  -2.412   9.470
  191    HG2  LYS  28           2HG      LYS  28  -1.526  -1.623  11.575
  192    HG3  LYS  28           1HG      LYS  28  -1.301  -0.204  10.553
  193    HD2  LYS  28           2HD      LYS  28  -3.637   0.073  10.278
  194    HD3  LYS  28           1HD      LYS  28  -3.981  -1.519  10.959
  195    HE2  LYS  28           2HE      LYS  28  -2.718   0.752  12.486
  196    HE3  LYS  28           1HE      LYS  28  -4.442   0.370  12.515
  197    HZ1  LYS  28           3HZ      LYS  28  -3.218  -0.583  14.405
  198    HZ2  LYS  28           1HZ      LYS  28  -2.273  -1.500  13.335
  199    HZ3  LYS  28           2HZ      LYS  28  -3.946  -1.778  13.448
  200    H    THR  29           H        THR  29  -3.108  -1.594   5.846
  201    HA   THR  29           HA       THR  29  -1.524  -3.980   5.268
  202    HB   THR  29           HB       THR  29  -4.039  -2.947   3.927
  203    HG1  THR  29           1HG      THR  29  -3.895  -3.964   6.250
  204   HG21  THR  29          3HG2      THR  29  -4.142  -5.172   2.895
  205   HG22  THR  29          1HG2      THR  29  -2.584  -5.581   3.620
  206   HG23  THR  29          2HG2      THR  29  -2.687  -4.303   2.409
  207    H    THR  30           H        THR  30   0.089  -3.920   3.896
  208    HA   THR  30           HA       THR  30   0.295  -1.670   2.017
  209    HB   THR  30           HB       THR  30   2.495  -3.635   2.613
  210    HG1  THR  30           1HG      THR  30   1.379  -1.928   4.362
  211   HG21  THR  30          3HG2      THR  30   2.774  -2.134   0.703
  212   HG22  THR  30          1HG2      THR  30   3.923  -1.748   1.987
  213   HG23  THR  30          2HG2      THR  30   2.491  -0.745   1.754
  214    H    THR  31           H        THR  31  -0.208  -2.071  -0.066
  215    HA   THR  31           HA       THR  31   0.403  -4.682  -1.197
  216    HB   THR  31           HB       THR  31  -1.918  -4.911  -0.355
  217    HG1  THR  31           1HG      THR  31  -2.564  -5.922  -2.149
  218   HG21  THR  31          3HG2      THR  31  -2.533  -2.645  -2.256
  219   HG22  THR  31          1HG2      THR  31  -2.613  -2.573  -0.497
  220   HG23  THR  31          2HG2      THR  31  -3.731  -3.605  -1.390
  221    H    TRP  32           H        TRP  32   0.107  -4.662  -3.609
  222    HA   TRP  32           HA       TRP  32   0.885  -2.015  -4.567
  223    HB2  TRP  32           2HB      TRP  32   2.177  -4.276  -5.042
  224    HB3  TRP  32           1HB      TRP  32   0.979  -4.434  -6.323
  225    HD1  TRP  32           HD       TRP  32   4.300  -3.042  -5.708
  226    HE1  TRP  32           1HE      TRP  32   4.978  -1.364  -7.536
  227    HE3  TRP  32           3HE      TRP  32  -0.266  -2.329  -7.917
  228    HZ2  TRP  32           2HZ      TRP  32   3.760   0.066  -9.626
  229    HZ3  TRP  32           3HZ      TRP  32  -0.419  -0.778  -9.820
  230    HH2  TRP  32           HH       TRP  32   1.547   0.394 -10.655
  231    H    SER  33           H        SER  33  -0.980  -0.923  -4.909
  232    HA   SER  33           HA       SER  33  -2.785  -2.045  -6.928
  233    HB2  SER  33           2HB      SER  33  -3.828  -2.229  -4.674
  234    HB3  SER  33           1HB      SER  33  -3.685  -0.481  -4.490
  235    HG   SER  33           HG       SER  33  -5.509  -1.961  -5.898
  236    H    LYS  34           H        LYS  34  -3.295  -0.666  -8.545
  237    HA   LYS  34           HA       LYS  34  -2.297   2.086  -8.326
  238    HB2  LYS  34           2HB      LYS  34  -1.578   0.697 -10.285
  239    HB3  LYS  34           1HB      LYS  34  -3.257   0.621 -10.795
  240    HG2  LYS  34           2HG      LYS  34  -2.528   2.342 -12.098
  241    HG3  LYS  34           1HG      LYS  34  -3.074   3.242 -10.685
  242    HD2  LYS  34           2HD      LYS  34  -0.221   2.350 -11.097
  243    HD3  LYS  34           1HD      LYS  34  -0.823   3.928 -11.595
  244    HE2  LYS  34           2HE      LYS  34  -1.380   4.455  -9.282
  245    HE3  LYS  34           1HE      LYS  34  -0.838   2.853  -8.771
  246    HZ1  LYS  34           3HZ      LYS  34   0.859   4.988  -9.971
  247    HZ2  LYS  34           1HZ      LYS  34   1.393   3.423  -9.602
  248    HZ3  LYS  34           2HZ      LYS  34   0.884   4.464  -8.361
  249    HA   PRO  35           HA       PRO  35  -6.616   2.873  -7.306
  250    HB2  PRO  35           2HB      PRO  35  -5.614   5.660  -7.142
  251    HB3  PRO  35           1HB      PRO  35  -6.459   4.696  -5.926
  252    HG2  PRO  35           2HG      PRO  35  -3.854   5.226  -5.691
  253    HG3  PRO  35           1HG      PRO  35  -4.513   3.646  -5.217
  254    HD2  PRO  35           2HD      PRO  35  -3.036   4.418  -7.710
  255    HD3  PRO  35           1HD      PRO  35  -2.874   2.955  -6.716
  256    H    THR  36           H        THR  36  -8.172   3.099  -8.755
  257    HA   THR  36           HA       THR  36  -7.995   5.227 -10.760
  258    HB   THR  36           HB       THR  36  -9.008   3.569 -12.423
  259    HG1  THR  36           1HG      THR  36  -8.232   1.334 -11.867
  260   HG21  THR  36          3HG2      THR  36  -6.805   2.643 -13.053
  261   HG22  THR  36          1HG2      THR  36  -6.158   3.156 -11.495
  262   HG23  THR  36          2HG2      THR  36  -6.719   4.358 -12.661
  263    H    MET  37           H        MET  37 -10.182   5.265 -12.010
  264    HA   MET  37           HA       MET  37 -12.442   5.460 -12.107
  265    HB2  MET  37           2HB      MET  37 -12.441   3.518  -9.788
  266    HB3  MET  37           1HB      MET  37 -13.863   4.011 -10.694
  267    HG2  MET  37           2HG      MET  37 -12.990   2.987 -12.692
  268    HG3  MET  37           1HG      MET  37 -11.494   2.572 -11.858
  269    HE1  MET  37           3HE      MET  37 -12.806  -0.001  -9.175
  270    HE2  MET  37           1HE      MET  37 -12.677   1.745  -8.973
  271    HE3  MET  37           2HE      MET  37 -11.393   0.853  -9.793
  272    H    GLN  38           H        GLU  38 -14.419   5.998 -10.679
  273    HA   GLN  38           HA       GLU  38 -13.610   7.865  -8.550
  274    HB2  GLN  38           2HB      GLU  38 -16.206   7.803 -10.115
  275    HB3  GLN  38           1HB      GLU  38 -15.701   9.035  -8.967
  276    HG2  GLN  38           2HG      GLU  38 -14.378   8.449 -11.607
  277    HG3  GLN  38           1HG      GLU  38 -15.483   9.780 -11.276
  278    H    ASP  39           H        ASP  39 -13.803   6.808  -6.628
  279    HA   ASP  39           HA       ASP  39 -15.749   4.656  -6.408
  280    HB2  ASP  39           2HB      ASP  39 -13.290   4.527  -5.626
  281    HB3  ASP  39           1HB      ASP  39 -13.825   5.477  -4.241
  282    H1   ALA  40           1HT      ALA  40 -11.585  -6.528   4.170
  283    H2   ALA  40           2HT      ALA  40 -10.152  -5.641   4.290
  284    H3   ALA  40           3HT      ALA  40 -11.577  -5.051   4.993
  285    HA   ALA  40           HA       ALA  40 -11.618  -6.966   6.496
  286    HB1  ALA  40           2HB      ALA  40 -10.337  -8.499   5.102
  287    HB2  ALA  40           3HB      ALA  40  -9.587  -8.333   6.689
  288    HB3  ALA  40           1HB      ALA  40  -8.897  -7.499   5.295
  289    HA   PRO  41           HA       PRO  41  -9.771  -4.137   9.387
  290    HB2  PRO  41           2HB      PRO  41  -8.780  -6.464  10.937
  291    HB3  PRO  41           1HB      PRO  41  -9.844  -5.146  11.439
  292    HG2  PRO  41           2HG      PRO  41 -10.803  -7.600  11.011
  293    HG3  PRO  41           1HG      PRO  41 -11.732  -6.154  10.575
  294    HD2  PRO  41           2HD      PRO  41 -10.165  -8.007   8.822
  295    HD3  PRO  41           1HD      PRO  41 -11.728  -7.218   8.516
  296    H    LEU  42           H        LEU  42  -7.821  -7.047   8.892
  297    HA   LEU  42           HA       LEU  42  -5.570  -5.388   8.030
  298    HB2  LEU  42           2HB      LEU  42  -5.653  -6.928  10.454
  299    HB3  LEU  42           1HB      LEU  42  -4.523  -7.685   9.347
  300    HG   LEU  42           HG       LEU  42  -3.476  -5.354   9.096
  301   HD11  LEU  42          1HD1      LEU  42  -5.027  -4.922  11.638
  302   HD12  LEU  42          2HD1      LEU  42  -5.289  -4.086  10.108
  303   HD13  LEU  42          3HD1      LEU  42  -3.781  -3.856  10.991
  304   HD21  LEU  42          3HD2      LEU  42  -2.396  -7.197  10.259
  305   HD22  LEU  42          1HD2      LEU  42  -3.299  -6.812  11.724
  306   HD23  LEU  42          2HD2      LEU  42  -2.111  -5.669  11.096
  307    H    SEP  43           H        SEP  43  -5.250  -6.027   5.978
  308    HA   SEP  43           HA       SEP  43  -6.171  -8.672   5.194
  309    HB2  SEP  43           1HB      SEP  43  -5.951  -7.829   2.878
  310    HB3  SEP  43           2HB      SEP  43  -5.300  -6.311   3.508
  311    HA   PRO  44           HA       PRO  44  -2.267 -10.677   4.945
  312    HB2  PRO  44           2HB      PRO  44  -3.246 -11.738   2.340
  313    HB3  PRO  44           1HB      PRO  44  -2.643 -12.607   3.755
  314    HG2  PRO  44           2HG      PRO  44  -5.244 -12.567   3.204
  315    HG3  PRO  44           1HG      PRO  44  -4.668 -12.457   4.878
  316    HD2  PRO  44           2HD      PRO  44  -5.709 -10.300   3.087
  317    HD3  PRO  44           1HD      PRO  44  -5.961 -10.544   4.827
  318    H    MET  45           H        MET  45  -0.401  -9.841   4.329
  319    HA   MET  45           HA       MET  45  -0.355  -8.017   2.063
  320    HB2  MET  45           2HB      MET  45   1.580  -8.548   4.306
  321    HB3  MET  45           1HB      MET  45   1.961  -7.497   2.950
  322    HG2  MET  45           2HG      MET  45   0.042  -6.085   3.520
  323    HG3  MET  45           1HG      MET  45  -0.292  -7.123   4.907
  324    HE1  MET  45           3HE      MET  45   3.726  -4.917   4.514
  325    HE2  MET  45           1HE      MET  45   2.536  -4.960   3.215
  326    HE3  MET  45           2HE      MET  45   3.329  -6.447   3.730
  327    H    SEP  46           H        SEP  46   1.355  -8.062   0.527
  328    HA   SEP  46           HA       SEP  46   2.406 -10.761   0.077
  329    HB2  SEP  46           1HB      SEP  46   2.244 -10.321  -2.348
  330    HB3  SEP  46           2HB      SEP  46   1.502  -8.753  -1.992
  331    HA   PRO  47           HA       PRO  47   6.079  -7.968  -0.819
  332    HB2  PRO  47           2HB      PRO  47   5.978  -5.325  -0.820
  333    HB3  PRO  47           1HB      PRO  47   5.389  -6.228  -2.222
  334    HG2  PRO  47           2HG      PRO  47   3.832  -5.029   0.045
  335    HG3  PRO  47           1HG      PRO  47   3.532  -4.904  -1.699
  336    HD2  PRO  47           2HD      PRO  47   2.263  -6.707  -0.048
  337    HD3  PRO  47           1HD      PRO  47   2.530  -6.996  -1.781
  338    HA   PRO  48           HA       PRO  48   7.209  -7.249   3.467
  339    HB2  PRO  48           2HB      PRO  48   9.502  -5.793   3.051
  340    HB3  PRO  48           1HB      PRO  48   9.419  -7.553   2.895
  341    HG2  PRO  48           2HG      PRO  48   9.184  -5.458   0.748
  342    HG3  PRO  48           1HG      PRO  48  10.183  -6.928   0.765
  343    HD2  PRO  48           2HD      PRO  48   7.890  -6.911  -0.554
  344    HD3  PRO  48           1HD      PRO  48   8.324  -8.322   0.441
  345    H    GLY  49           H        GLY  49   6.166  -5.781   4.732
  346    HA2  GLY  49           2HA      GLY  49   6.661  -2.969   4.363
  347    HA3  GLY  49           1HA      GLY  49   5.022  -3.446   3.948
  348    H    TYR  50           H        TYR  50   3.575  -3.294   5.529
  349    HA   TYR  50           HA       TYR  50   4.480  -2.687   8.218
  350    HB2  TYR  50           2HB      TYR  50   1.823  -2.550   6.817
  351    HB3  TYR  50           1HB      TYR  50   1.948  -2.342   8.558
  352    HD1  TYR  50           2HD      TYR  50   4.227  -1.129   5.884
  353    HD2  TYR  50           1HD      TYR  50   1.429  -0.087   8.914
  354    HE1  TYR  50           2HE      TYR  50   4.765   1.245   5.556
  355    HE2  TYR  50           1HE      TYR  50   1.963   2.291   8.600
  356    HH   TYR  50           HH       TYR  50   3.808   3.662   7.738
  357    H    LYS  51           H        LYS  51   4.694  -5.453   7.223
  358    HA   LYS  51           HA       LYS  51   2.647  -6.947   8.631
  359    HB2  LYS  51           2HB      LYS  51   3.756  -7.616   6.396
  360    HB3  LYS  51           1HB      LYS  51   5.143  -8.082   7.371
  361    HG2  LYS  51           2HG      LYS  51   4.051 -10.085   7.179
  362    HG3  LYS  51           1HG      LYS  51   3.374  -9.487   8.691
  363    HD2  LYS  51           2HD      LYS  51   2.018  -8.930   6.073
  364    HD3  LYS  51           1HD      LYS  51   1.776 -10.462   6.907
  365    HE2  LYS  51           2HE      LYS  51   1.279  -7.759   8.144
  366    HE3  LYS  51           1HE      LYS  51   0.031  -8.738   7.381
  367    HZ1  LYS  51           3HZ      LYS  51   1.571  -9.353   9.834
  368    HZ2  LYS  51           1HZ      LYS  51   0.668 -10.528   9.014
  369    HZ3  LYS  51           2HZ      LYS  51  -0.096  -9.167   9.679
  370    H    LEU  52           H        LEU  52   2.824  -7.653  10.636
  371    HA   LEU  52           HA       LEU  52   3.670  -8.494  12.569
  372    HB2  LEU  52           2HB      LEU  52   6.385  -8.066  11.325
  373    HB3  LEU  52           1HB      LEU  52   6.116  -8.787  12.900
  374    HG   LEU  52           HG       LEU  52   5.145  -9.930  10.274
  375   HD11  LEU  52          1HD1      LEU  52   6.833 -11.662  10.671
  376   HD12  LEU  52          2HD1      LEU  52   7.388 -10.790  12.099
  377   HD13  LEU  52          3HD1      LEU  52   7.568 -10.068  10.500
  378   HD21  LEU  52          3HD2      LEU  52   4.551 -11.890  11.609
  379   HD22  LEU  52          1HD2      LEU  52   3.666 -10.462  12.147
  380   HD23  LEU  52          2HD2      LEU  52   5.047 -11.044  13.076
  381    H    VAL  53           H        VAL  53   3.712  -7.500  14.431
  382    HA   VAL  53           HA       VAL  53   3.747  -5.881  16.000
  383    HB   VAL  53           HB       VAL  53   6.084  -4.642  14.542
  384   HG11  VAL  53          1HG1      VAL  53   5.144  -3.311  16.356
  385   HG12  VAL  53          2HG1      VAL  53   6.749  -3.904  16.776
  386   HG13  VAL  53          3HG1      VAL  53   5.316  -4.673  17.461
  387   HG21  VAL  53          3HG2      VAL  53   6.530  -7.022  14.817
  388   HG22  VAL  53          1HG2      VAL  53   6.131  -6.914  16.530
  389   HG23  VAL  53          2HG2      VAL  53   7.547  -6.073  15.899
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1   0.140   5.745 -14.594
    2    H2   GLY   1           2HT      GLY   1  -1.036   6.030 -13.408
    3    H3   GLY   1           3HT      GLY   1   0.175   4.870 -13.142
    4    HA2  GLY   1           1HA      GLY   1   1.863   6.594 -13.160
    5    HA3  GLY   1           2HA      GLY   1   0.602   7.793 -13.411
    6    H    SER   2           H        SER   2   2.053   8.330 -11.322
    7    HA   SER   2           HA       SER   2   1.235   6.965  -8.934
    8    HB2  SER   2           2HB      SER   2   2.680   9.607  -9.244
    9    HB3  SER   2           1HB      SER   2   2.571   8.647  -7.767
   10    HG   SER   2           HG       SER   2   4.210   7.550  -8.449
   11    H    SER   3           H        SER   3   0.471   9.993 -10.532
   12    HA   SER   3           HA       SER   3  -1.126  11.547 -10.332
   13    HB2  SER   3           2HB      SER   3  -3.377  10.883  -9.754
   14    HB3  SER   3           1HB      SER   3  -2.621   9.594 -10.690
   15    HG   SER   3           HG       SER   3  -2.074   8.877  -8.322
   16    H    SER   4           H        SER   4  -1.916  13.164  -9.021
   17    HA   SER   4           HA       SER   4  -0.697  13.299  -6.403
   18    HB2  SER   4           2HB      SER   4  -1.722  15.650  -6.481
   19    HB3  SER   4           1HB      SER   4  -0.498  15.277  -7.694
   20    HG   SER   4           HG       SER   4  -3.273  15.606  -7.975
   21    H    GLY   5           H        GLY   5  -3.277  11.719  -7.288
   22    HA2  GLY   5           2HA      GLY   5  -5.019  12.707  -5.125
   23    HA3  GLY   5           1HA      GLY   5  -5.587  11.828  -6.539
   24    H    LEU   6           H        LEU   6  -4.332  11.594  -3.372
   25    HA   LEU   6           HA       LEU   6  -4.161   8.670  -3.549
   26    HB2  LEU   6           2HB      LEU   6  -3.230  10.579  -1.397
   27    HB3  LEU   6           1HB      LEU   6  -3.104   8.834  -1.299
   28    HG   LEU   6           HG       LEU   6  -1.714  10.555  -3.354
   29   HD11  LEU   6          1HD1      LEU   6  -0.612   9.142  -0.930
   30   HD12  LEU   6          2HD1      LEU   6  -0.867  10.881  -1.063
   31   HD13  LEU   6          3HD1      LEU   6   0.311  10.080  -2.105
   32   HD21  LEU   6          3HD2      LEU   6  -2.202   8.306  -4.169
   33   HD22  LEU   6          1HD2      LEU   6  -1.470   7.618  -2.717
   34   HD23  LEU   6          2HD2      LEU   6  -0.475   8.506  -3.869
   35    HA   PRO   7           HA       PRO   7  -8.109   8.313  -1.431
   36    HB2  PRO   7           2HB      PRO   7  -6.885   5.764  -0.495
   37    HB3  PRO   7           1HB      PRO   7  -8.445   6.040  -1.282
   38    HG2  PRO   7           2HG      PRO   7  -6.425   4.954  -2.641
   39    HG3  PRO   7           1HG      PRO   7  -7.500   6.141  -3.405
   40    HD2  PRO   7           2HD      PRO   7  -4.733   6.506  -2.333
   41    HD3  PRO   7           1HD      PRO   7  -5.472   7.173  -3.800
   42    HA   PRO   8           HA       PRO   8  -7.296   9.883   2.581
   43    HB2  PRO   8           2HB      PRO   8  -9.440   8.042   3.526
   44    HB3  PRO   8           1HB      PRO   8  -9.270   9.785   3.762
   45    HG2  PRO   8           2HG      PRO   8 -11.016   8.825   2.005
   46    HG3  PRO   8           1HG      PRO   8 -10.066  10.278   1.633
   47    HD2  PRO   8           2HD      PRO   8  -9.725   7.479   0.648
   48    HD3  PRO   8           1HD      PRO   8  -9.482   9.015  -0.208
   49    H    GLY   9           H        GLY   9  -5.434   9.233   3.480
   50    HA2  GLY   9           2HA      GLY   9  -4.516   8.169   5.415
   51    HA3  GLY   9           1HA      GLY   9  -5.530   6.776   5.088
   52    H    TRP  10           H        TRP  10  -4.206   7.782   2.195
   53    HA   TRP  10           HA       TRP  10  -2.238   5.632   2.304
   54    HB2  TRP  10           2HB      TRP  10  -3.386   7.245   0.028
   55    HB3  TRP  10           1HB      TRP  10  -2.054   6.119  -0.190
   56    HD1  TRP  10           HD       TRP  10  -5.273   5.489   1.882
   57    HE1  TRP  10           1HE      TRP  10  -6.465   3.444   0.874
   58    HE3  TRP  10           3HE      TRP  10  -2.204   4.641  -2.120
   59    HZ2  TRP  10           2HZ      TRP  10  -6.146   1.705  -1.320
   60    HZ3  TRP  10           3HZ      TRP  10  -2.715   2.761  -3.618
   61    HH2  TRP  10           HH       TRP  10  -4.649   1.326  -3.229
   62    H    GLU  11           H        GLU  11  -0.088   5.946   2.403
   63    HA   GLU  11           HA       GLU  11   0.968   8.510   1.432
   64    HB2  GLU  11           2HB      GLU  11   1.646   7.078   3.965
   65    HB3  GLU  11           1HB      GLU  11   2.877   8.042   3.155
   66    HG2  GLU  11           2HG      GLU  11   1.167   9.921   3.149
   67    HG3  GLU  11           1HG      GLU  11   0.265   8.937   4.305
   68    H    GLU  12           H        GLU  12   3.554   8.182   1.234
   69    HA   GLU  12           HA       GLU  12   3.668   6.027  -0.763
   70    HB2  GLU  12           2HB      GLU  12   3.707   8.286  -1.704
   71    HB3  GLU  12           1HB      GLU  12   5.078   8.705  -0.690
   72    HG2  GLU  12           2HG      GLU  12   5.524   6.367  -2.388
   73    HG3  GLU  12           1HG      GLU  12   5.214   7.859  -3.273
   74    H    LYS  13           H        LYS  13   5.303   4.607  -0.785
   75    HA   LYS  13           HA       LYS  13   7.750   4.991   0.641
   76    HB2  LYS  13           2HB      LYS  13   5.680   4.203   2.243
   77    HB3  LYS  13           1HB      LYS  13   6.338   2.647   1.756
   78    HG2  LYS  13           2HG      LYS  13   8.308   4.648   2.656
   79    HG3  LYS  13           1HG      LYS  13   7.186   4.051   3.879
   80    HD2  LYS  13           2HD      LYS  13   8.794   2.243   2.080
   81    HD3  LYS  13           1HD      LYS  13   9.352   2.764   3.667
   82    HE2  LYS  13           2HE      LYS  13   7.401   1.743   4.703
   83    HE3  LYS  13           1HE      LYS  13   6.790   1.271   3.119
   84    HZ1  LYS  13           3HZ      LYS  13   8.690  -0.158   2.824
   85    HZ2  LYS  13           1HZ      LYS  13   7.911  -0.549   4.274
   86    HZ3  LYS  13           2HZ      LYS  13   9.352   0.340   4.304
   87    H    GLN  14           H        GLN  14   8.615   2.377   0.880
   88    HA   GLN  14           HA       GLN  14   8.036   1.121  -1.706
   89    HB2  GLN  14           2HB      GLN  14  10.571   0.562  -1.729
   90    HB3  GLN  14           1HB      GLN  14  10.044   2.157  -2.256
   91    HG2  GLN  14           2HG      GLN  14  10.971   3.207  -0.474
   92    HG3  GLN  14           1HG      GLN  14  10.714   1.836   0.607
   93   HE21  GLN  14          1HE2      GLN  14  11.908  -0.119  -1.025
   94   HE22  GLN  14          2HE2      GLN  14  13.617   0.156  -1.049
   95    H    ASP  15           H        ASP  15   8.328  -1.144  -1.773
   96    HA   ASP  15           HA       ASP  15   8.138  -2.445   0.803
   97    HB2  ASP  15           2HB      ASP  15   7.506  -4.391  -0.329
   98    HB3  ASP  15           1HB      ASP  15   6.858  -3.111  -1.342
   99    H    ASP  16           H        ASP  16   9.496  -4.852   0.323
  100    HA   ASP  16           HA       ASP  16  12.217  -3.910   0.738
  101    HB2  ASP  16           2HB      ASP  16  10.861  -6.525   1.371
  102    HB3  ASP  16           1HB      ASP  16  12.585  -6.255   1.604
  103    H    ARG  17           H        ARG  17  10.457  -5.135  -1.817
  104    HA   ARG  17           HA       ARG  17  12.761  -6.405  -3.068
  105    HB2  ARG  17           2HB      ARG  17   9.931  -5.896  -3.967
  106    HB3  ARG  17           1HB      ARG  17  11.169  -6.414  -5.102
  107    HG2  ARG  17           2HG      ARG  17  11.544  -8.437  -3.789
  108    HG3  ARG  17           1HG      ARG  17  10.317  -7.921  -2.631
  109    HD2  ARG  17           2HD      ARG  17   9.474  -9.583  -4.258
  110    HD3  ARG  17           1HD      ARG  17   8.604  -8.051  -4.329
  111    HE   ARG  17           HE       ARG  17  10.631  -7.890  -6.209
  112   HH11  ARG  17          1HH1      ARG  17   7.899  -9.997  -5.630
  113   HH12  ARG  17          2HH1      ARG  17   7.560 -10.242  -7.321
  114   HH21  ARG  17          1HH2      ARG  17  10.200  -8.196  -8.435
  115   HH22  ARG  17          2HH2      ARG  17   8.886  -9.230  -8.919
  116    H    GLY  18           H        GLY  18  10.898  -3.414  -3.239
  117    HA2  GLY  18           2HA      GLY  18  12.466  -1.453  -3.553
  118    HA3  GLY  18           1HA      GLY  18  13.023  -2.307  -4.983
  119    H    ARG  19           H        ARG  19   9.651  -2.348  -4.109
  120    HA   ARG  19           HA       ARG  19   9.054  -0.718  -6.474
  121    HB2  ARG  19           2HB      ARG  19   7.505  -2.778  -4.929
  122    HB3  ARG  19           1HB      ARG  19   6.679  -1.641  -5.985
  123    HG2  ARG  19           2HG      ARG  19   7.926  -2.426  -7.878
  124    HG3  ARG  19           1HG      ARG  19   8.878  -3.501  -6.852
  125    HD2  ARG  19           2HD      ARG  19   6.894  -4.785  -6.325
  126    HD3  ARG  19           1HD      ARG  19   5.888  -3.665  -7.244
  127    HE   ARG  19           HE       ARG  19   8.029  -5.140  -8.592
  128   HH11  ARG  19          1HH1      ARG  19   4.612  -4.520  -8.143
  129   HH12  ARG  19          2HH1      ARG  19   4.142  -5.309  -9.620
  130   HH21  ARG  19          1HH2      ARG  19   7.419  -6.154 -10.534
  131   HH22  ARG  19          2HH2      ARG  19   5.750  -6.206 -10.999
  132    H    SER  20           H        SER  20   8.270   1.261  -6.285
  133    HA   SER  20           HA       SER  20   7.755   2.446  -3.728
  134    HB2  SER  20           2HB      SER  20   7.051   3.618  -6.423
  135    HB3  SER  20           1HB      SER  20   7.471   4.468  -4.936
  136    HG   SER  20           HG       SER  20   9.604   3.717  -5.154
  137    H    TYR  21           H        TYR  21   5.950   1.967  -2.659
  138    HA   TYR  21           HA       TYR  21   3.452   1.739  -4.188
  139    HB2  TYR  21           2HB      TYR  21   2.680   0.005  -2.629
  140    HB3  TYR  21           1HB      TYR  21   4.134  -0.499  -3.493
  141    HD1  TYR  21           1HD      TYR  21   4.864   1.799  -0.811
  142    HD2  TYR  21           2HD      TYR  21   4.035  -2.281  -1.686
  143    HE1  TYR  21           1HE      TYR  21   5.850   1.139   1.343
  144    HE2  TYR  21           2HE      TYR  21   5.022  -2.948   0.452
  145    HH   TYR  21           HH       TYR  21   6.331  -2.252   2.164
  146    H    TYR  22           H        TYR  22   1.659   1.539  -2.149
  147    HA   TYR  22           HA       TYR  22   2.153   3.947  -0.546
  148    HB2  TYR  22           2HB      TYR  22  -0.406   3.238  -1.998
  149    HB3  TYR  22           1HB      TYR  22  -0.243   4.556  -0.841
  150    HD1  TYR  22           2HD      TYR  22   1.653   6.302  -1.385
  151    HD2  TYR  22           1HD      TYR  22  -0.070   3.672  -4.251
  152    HE1  TYR  22           2HE      TYR  22   2.366   7.810  -3.192
  153    HE2  TYR  22           1HE      TYR  22   0.639   5.175  -6.062
  154    HH   TYR  22           HH       TYR  22   2.887   7.593  -5.679
  155    H    VAL  23           H        VAL  23   1.073   4.046   1.447
  156    HA   VAL  23           HA       VAL  23   0.397   1.376   2.489
  157    HB   VAL  23           HB       VAL  23   2.602   1.910   3.213
  158   HG11  VAL  23          1HG1      VAL  23   2.542   4.320   2.815
  159   HG12  VAL  23          2HG1      VAL  23   3.174   3.949   4.422
  160   HG13  VAL  23          3HG1      VAL  23   1.520   4.533   4.238
  161   HG21  VAL  23          3HG2      VAL  23   1.159   0.886   4.910
  162   HG22  VAL  23          1HG2      VAL  23   0.698   2.488   5.484
  163   HG23  VAL  23          2HG2      VAL  23   2.364   1.940   5.646
  164    H    ASP  24           H        ASP  24  -1.299   1.191   3.869
  165    HA   ASP  24           HA       ASP  24  -3.132   3.447   4.028
  166    HB2  ASP  24           2HB      ASP  24  -3.633   0.737   5.232
  167    HB3  ASP  24           1HB      ASP  24  -4.802   1.894   4.625
  168    H    HIS  25           H        HIS  25  -3.173   4.741   5.807
  169    HA   HIS  25           HA       HIS  25  -1.999   3.850   8.301
  170    HB2  HIS  25           2HB      HIS  25  -3.473   6.370   7.537
  171    HB3  HIS  25           1HB      HIS  25  -2.877   6.063   9.166
  172    HD1  HIS  25           1HD      HIS  25  -0.124   5.518   9.172
  173    HD2  HIS  25           2HD      HIS  25  -1.718   7.697   6.010
  174    HE1  HIS  25           1HE      HIS  25   1.818   6.685   8.097
  175    HE2  HIS  25           2HE      HIS  25   0.776   8.239   6.423
  176    H    ASN  26           H        ASN  26  -4.986   3.597   6.763
  177    HA   ASN  26           HA       ASN  26  -6.780   3.790   8.940
  178    HB2  ASN  26           2HB      ASN  26  -7.113   2.134   6.426
  179    HB3  ASN  26           1HB      ASN  26  -8.394   2.750   7.465
  180   HD21  ASN  26          1HD2      ASN  26  -9.141   4.769   7.163
  181   HD22  ASN  26          2HD2      ASN  26  -8.569   5.831   5.922
  182    H    SER  27           H        SER  27  -5.437   0.944   7.289
  183    HA   SER  27           HA       SER  27  -6.246  -0.691   9.586
  184    HB2  SER  27           2HB      SER  27  -5.815  -2.547   7.781
  185    HB3  SER  27           1HB      SER  27  -7.298  -1.587   7.713
  186    HG   SER  27           HG       SER  27  -5.134  -1.640   5.992
  187    H    LYS  28           H        LYS  28  -3.655   0.919   8.679
  188    HA   LYS  28           HA       LYS  28  -1.417   0.808   9.012
  189    HB2  LYS  28           2HB      LYS  28  -2.288  -1.406  10.870
  190    HB3  LYS  28           1HB      LYS  28  -0.617  -0.881  10.738
  191    HG2  LYS  28           2HG      LYS  28  -1.539   0.200  12.637
  192    HG3  LYS  28           1HG      LYS  28  -1.399   1.425  11.376
  193    HD2  LYS  28           2HD      LYS  28  -3.775   1.164  10.858
  194    HD3  LYS  28           1HD      LYS  28  -3.915  -0.073  12.108
  195    HE2  LYS  28           2HE      LYS  28  -3.313   1.563  13.810
  196    HE3  LYS  28           1HE      LYS  28  -3.123   2.802  12.568
  197    HZ1  LYS  28           3HZ      LYS  28  -5.433   2.722  12.096
  198    HZ2  LYS  28           1HZ      LYS  28  -5.287   2.842  13.780
  199    HZ3  LYS  28           2HZ      LYS  28  -5.666   1.352  13.064
  200    H    THR  29           H        THR  29  -2.658  -0.670   6.862
  201    HA   THR  29           HA       THR  29  -0.801  -2.899   6.477
  202    HB   THR  29           HB       THR  29  -2.346  -3.425   4.527
  203    HG1  THR  29           1HG      THR  29  -3.392  -1.426   4.303
  204   HG21  THR  29          3HG2      THR  29  -2.487  -4.657   6.632
  205   HG22  THR  29          1HG2      THR  29  -4.092  -4.412   5.949
  206   HG23  THR  29          2HG2      THR  29  -3.547  -3.417   7.297
  207    H    THR  30           H        THR  30  -0.322  -3.119   3.973
  208    HA   THR  30           HA       THR  30   0.035  -0.493   2.766
  209    HB   THR  30           HB       THR  30   2.181  -0.997   3.884
  210    HG1  THR  30           1HG      THR  30   1.819  -0.410   1.293
  211   HG21  THR  30          3HG2      THR  30   3.601  -2.824   3.004
  212   HG22  THR  30          1HG2      THR  30   2.219  -3.416   2.081
  213   HG23  THR  30          2HG2      THR  30   2.165  -3.412   3.846
  214    H    THR  31           H        THR  31  -0.180  -0.502   0.566
  215    HA   THR  31           HA       THR  31  -0.837  -3.120  -0.601
  216    HB   THR  31           HB       THR  31  -2.819  -1.632  -0.165
  217    HG1  THR  31           1HG      THR  31  -3.539  -1.793  -2.476
  218   HG21  THR  31          3HG2      THR  31  -3.166   0.299  -1.638
  219   HG22  THR  31          1HG2      THR  31  -1.549   0.073  -2.307
  220   HG23  THR  31          2HG2      THR  31  -1.748   0.516  -0.612
  221    H    TRP  32           H        TRP  32  -1.049  -2.617  -3.147
  222    HA   TRP  32           HA       TRP  32   1.626  -2.134  -4.021
  223    HB2  TRP  32           2HB      TRP  32   0.252  -2.336  -6.325
  224    HB3  TRP  32           1HB      TRP  32   0.716  -3.731  -5.357
  225    HD1  TRP  32           HD       TRP  32  -1.178  -5.116  -4.206
  226    HE1  TRP  32           1HE      TRP  32  -3.758  -5.086  -4.376
  227    HE3  TRP  32           3HE      TRP  32  -1.774  -0.652  -6.602
  228    HZ2  TRP  32           2HZ      TRP  32  -5.769  -3.363  -5.383
  229    HZ3  TRP  32           3HZ      TRP  32  -4.043   0.142  -7.129
  230    HH2  TRP  32           HH       TRP  32  -6.005  -1.203  -6.529
  231    H    SER  33           H        SER  33   1.870  -0.755  -6.106
  232    HA   SER  33           HA       SER  33   1.588   1.942  -5.441
  233    HB2  SER  33           2HB      SER  33   3.195   0.831  -7.130
  234    HB3  SER  33           1HB      SER  33   1.859   0.966  -8.272
  235    HG   SER  33           HG       SER  33   3.519   2.903  -7.259
  236    H    LYS  34           H        LYS  34   0.353   3.591  -6.585
  237    HA   LYS  34           HA       LYS  34  -2.218   3.535  -5.957
  238    HB2  LYS  34           2HB      LYS  34  -1.213   5.573  -6.691
  239    HB3  LYS  34           1HB      LYS  34  -1.029   4.959  -8.332
  240    HG2  LYS  34           2HG      LYS  34  -2.936   6.064  -8.721
  241    HG3  LYS  34           1HG      LYS  34  -3.695   4.671  -7.974
  242    HD2  LYS  34           2HD      LYS  34  -3.558   5.834  -5.784
  243    HD3  LYS  34           1HD      LYS  34  -2.963   7.266  -6.625
  244    HE2  LYS  34           2HE      LYS  34  -5.615   5.915  -7.113
  245    HE3  LYS  34           1HE      LYS  34  -5.384   7.387  -6.175
  246    HZ1  LYS  34           3HZ      LYS  34  -6.047   8.088  -8.286
  247    HZ2  LYS  34           1HZ      LYS  34  -5.034   6.997  -9.094
  248    HZ3  LYS  34           2HZ      LYS  34  -4.371   8.329  -8.282
  249    HA   PRO  35           HA       PRO  35  -4.614   0.770  -8.528
  250    HB2  PRO  35           2HB      PRO  35  -6.940   2.306  -8.136
  251    HB3  PRO  35           1HB      PRO  35  -6.436   0.923  -7.162
  252    HG2  PRO  35           2HG      PRO  35  -6.098   3.835  -6.637
  253    HG3  PRO  35           1HG      PRO  35  -6.403   2.511  -5.498
  254    HD2  PRO  35           2HD      PRO  35  -3.977   3.614  -5.728
  255    HD3  PRO  35           1HD      PRO  35  -4.173   1.868  -5.458
  256    H    THR  36           H        THR  36  -4.597   0.883 -10.659
  257    HA   THR  36           HA       THR  36  -5.346   3.391 -11.979
  258    HB   THR  36           HB       THR  36  -3.505   2.609 -13.720
  259    HG1  THR  36           1HG      THR  36  -2.224   1.850 -11.312
  260   HG21  THR  36          3HG2      THR  36  -1.878   4.094 -12.597
  261   HG22  THR  36          1HG2      THR  36  -2.897   4.075 -11.152
  262   HG23  THR  36          2HG2      THR  36  -3.502   4.780 -12.651
  263    H    MET  37           H        MET  37  -7.286   1.924 -11.874
  264    HA   MET  37           HA       MET  37  -7.339   0.071 -14.165
  265    HB2  MET  37           2HB      MET  37  -7.520  -0.922 -11.807
  266    HB3  MET  37           1HB      MET  37  -9.074  -0.116 -11.696
  267    HG2  MET  37           2HG      MET  37  -9.866  -1.400 -13.627
  268    HG3  MET  37           1HG      MET  37  -8.313  -2.233 -13.700
  269    HE1  MET  37           3HE      MET  37  -7.387  -3.752 -11.612
  270    HE2  MET  37           1HE      MET  37  -8.345  -4.071 -10.168
  271    HE3  MET  37           2HE      MET  37  -7.745  -2.445 -10.486
  272    H    GLN  38           H        GLU  38  -9.961  -0.243 -14.615
  273    HA   GLN  38           HA       GLU  38 -10.873   2.408 -15.295
  274    HB2  GLN  38           2HB      GLU  38 -11.138   0.477 -16.844
  275    HB3  GLN  38           1HB      GLU  38 -12.256  -0.247 -15.696
  276    HG2  GLN  38           2HG      GLU  38 -13.931   1.215 -16.187
  277    HG3  GLN  38           1HG      GLU  38 -12.822   2.497 -16.675
  278    H    ASP  39           H        ASP  39 -11.174   3.323 -13.289
  279    HA   ASP  39           HA       ASP  39 -13.709   2.811 -12.021
  280    HB2  ASP  39           2HB      ASP  39 -12.181   1.168 -10.920
  281    HB3  ASP  39           1HB      ASP  39 -11.160   2.506 -10.409
  282    H1   ALA  40           1HT      ALA  40  -9.970 -10.838   9.413
  283    H2   ALA  40           2HT      ALA  40  -8.418 -10.313   8.955
  284    H3   ALA  40           3HT      ALA  40  -9.779  -9.824   8.065
  285    HA   ALA  40           HA       ALA  40 -10.626  -8.612   9.971
  286    HB1  ALA  40           2HB      ALA  40  -9.551 -10.005  11.692
  287    HB2  ALA  40           3HB      ALA  40  -9.231  -8.287  11.931
  288    HB3  ALA  40           1HB      ALA  40  -7.985  -9.334  11.244
  289    HA   PRO  41           HA       PRO  41  -8.558  -5.356   7.734
  290    HB2  PRO  41           2HB      PRO  41  -9.615  -3.250   9.126
  291    HB3  PRO  41           1HB      PRO  41 -10.483  -4.118   7.852
  292    HG2  PRO  41           2HG      PRO  41 -10.672  -4.420  10.825
  293    HG3  PRO  41           1HG      PRO  41 -11.971  -4.420   9.618
  294    HD2  PRO  41           2HD      PRO  41 -11.027  -6.699  10.712
  295    HD3  PRO  41           1HD      PRO  41 -11.590  -6.625   9.029
  296    H    LEU  42           H        LEU  42  -6.489  -5.883   8.481
  297    HA   LEU  42           HA       LEU  42  -5.019  -4.066   9.959
  298    HB2  LEU  42           2HB      LEU  42  -6.513  -5.255  11.790
  299    HB3  LEU  42           1HB      LEU  42  -5.358  -6.557  11.609
  300    HG   LEU  42           HG       LEU  42  -4.898  -5.054  13.538
  301   HD11  LEU  42          1HD1      LEU  42  -2.506  -4.802  13.144
  302   HD12  LEU  42          2HD1      LEU  42  -2.758  -5.067  11.419
  303   HD13  LEU  42          3HD1      LEU  42  -3.095  -6.362  12.567
  304   HD21  LEU  42          3HD2      LEU  42  -4.305  -3.004  11.410
  305   HD22  LEU  42          1HD2      LEU  42  -4.007  -2.824  13.140
  306   HD23  LEU  42          2HD2      LEU  42  -5.657  -2.965  12.539
  307    H    SEP  43           H        SEP  43  -5.612  -7.332   8.986
  308    HA   SEP  43           HA       SEP  43  -2.886  -8.160   8.847
  309    HB2  SEP  43           1HB      SEP  43  -3.869 -10.166   7.772
  310    HB3  SEP  43           2HB      SEP  43  -5.435  -9.338   7.694
  311    HA   PRO  44           HA       PRO  44  -1.534  -6.245   5.254
  312    HB2  PRO  44           2HB      PRO  44   0.064  -8.112   4.088
  313    HB3  PRO  44           1HB      PRO  44   0.487  -7.253   5.572
  314    HG2  PRO  44           2HG      PRO  44  -0.689  -9.990   5.244
  315    HG3  PRO  44           1HG      PRO  44   0.629  -9.456   6.303
  316    HD2  PRO  44           2HD      PRO  44  -1.862  -9.818   7.233
  317    HD3  PRO  44           1HD      PRO  44  -0.815  -8.521   7.848
  318    H    MET  45           H        MET  45  -1.081  -6.492   2.855
  319    HA   MET  45           HA       MET  45  -3.442  -7.689   1.594
  320    HB2  MET  45           2HB      MET  45  -1.624  -5.493   0.570
  321    HB3  MET  45           1HB      MET  45  -3.060  -6.103  -0.248
  322    HG2  MET  45           2HG      MET  45  -2.998  -4.702   2.418
  323    HG3  MET  45           1HG      MET  45  -3.482  -3.991   0.880
  324    HE1  MET  45           3HE      MET  45  -6.778  -5.898   0.051
  325    HE2  MET  45           1HE      MET  45  -5.161  -6.363  -0.473
  326    HE3  MET  45           2HE      MET  45  -5.626  -4.665  -0.457
  327    H    SEP  46           H        SEP  46  -0.307  -6.771   0.198
  328    HA   SEP  46           HA       SEP  46   0.265  -9.571  -0.341
  329    HB2  SEP  46           1HB      SEP  46   0.750  -9.161  -2.732
  330    HB3  SEP  46           2HB      SEP  46   0.129  -7.517  -2.559
  331    HA   PRO  47           HA       PRO  47   4.318  -7.274  -1.130
  332    HB2  PRO  47           2HB      PRO  47   4.482  -4.571  -1.054
  333    HB3  PRO  47           1HB      PRO  47   4.053  -5.469  -2.513
  334    HG2  PRO  47           2HG      PRO  47   2.337  -3.945  -0.645
  335    HG3  PRO  47           1HG      PRO  47   2.169  -4.170  -2.390
  336    HD2  PRO  47           2HD      PRO  47   0.722  -5.520  -0.439
  337    HD3  PRO  47           1HD      PRO  47   0.903  -6.032  -2.128
  338    HA   PRO  48           HA       PRO  48   5.353  -6.897   3.138
  339    HB2  PRO  48           2HB      PRO  48   8.015  -6.959   2.940
  340    HB3  PRO  48           1HB      PRO  48   7.034  -8.361   2.484
  341    HG2  PRO  48           2HG      PRO  48   8.205  -6.224   0.725
  342    HG3  PRO  48           1HG      PRO  48   8.280  -7.986   0.522
  343    HD2  PRO  48           2HD      PRO  48   6.491  -6.426  -0.780
  344    HD3  PRO  48           1HD      PRO  48   6.124  -8.095  -0.291
  345    H    GLY  49           H        GLY  49   7.414  -5.693   4.330
  346    HA2  GLY  49           2HA      GLY  49   8.667  -3.628   4.406
  347    HA3  GLY  49           1HA      GLY  49   7.397  -2.876   3.452
  348    H    TYR  50           H        TYR  50   5.260  -2.671   4.494
  349    HA   TYR  50           HA       TYR  50   5.597  -1.730   7.212
  350    HB2  TYR  50           2HB      TYR  50   4.158  -0.705   5.234
  351    HB3  TYR  50           1HB      TYR  50   2.925  -1.793   5.861
  352    HD1  TYR  50           2HD      TYR  50   4.973   1.185   6.607
  353    HD2  TYR  50           1HD      TYR  50   1.867  -1.380   7.976
  354    HE1  TYR  50           2HE      TYR  50   4.383   2.829   8.337
  355    HE2  TYR  50           1HE      TYR  50   1.271   0.257   9.707
  356    HH   TYR  50           HH       TYR  50   2.428   3.444   9.713
  357    H    LYS  51           H        LYS  51   4.465  -4.504   5.592
  358    HA   LYS  51           HA       LYS  51   3.780  -5.783   8.113
  359    HB2  LYS  51           2HB      LYS  51   1.893  -5.463   5.790
  360    HB3  LYS  51           1HB      LYS  51   1.781  -6.867   6.841
  361    HG2  LYS  51           2HG      LYS  51   1.599  -4.011   7.781
  362    HG3  LYS  51           1HG      LYS  51   0.216  -5.057   7.451
  363    HD2  LYS  51           2HD      LYS  51   1.107  -6.654   9.143
  364    HD3  LYS  51           1HD      LYS  51   2.361  -5.476   9.530
  365    HE2  LYS  51           2HE      LYS  51  -0.600  -4.965   9.742
  366    HE3  LYS  51           1HE      LYS  51   0.433  -5.432  11.090
  367    HZ1  LYS  51           3HZ      LYS  51   0.200  -3.100  11.168
  368    HZ2  LYS  51           1HZ      LYS  51   0.542  -2.921   9.515
  369    HZ3  LYS  51           2HZ      LYS  51   1.766  -3.394  10.587
  370    H    LEU  52           H        LEU  52   3.457  -8.226   7.669
  371    HA   LEU  52           HA       LEU  52   5.639  -9.004   5.884
  372    HB2  LEU  52           2HB      LEU  52   4.321 -10.519   8.133
  373    HB3  LEU  52           1HB      LEU  52   5.638 -11.128   7.148
  374    HG   LEU  52           HG       LEU  52   5.776  -8.738   8.989
  375   HD11  LEU  52          1HD1      LEU  52   5.648 -10.836  10.202
  376   HD12  LEU  52          2HD1      LEU  52   7.268 -10.148  10.331
  377   HD13  LEU  52          3HD1      LEU  52   6.964 -11.496   9.233
  378   HD21  LEU  52          3HD2      LEU  52   7.213  -8.498   7.014
  379   HD22  LEU  52          1HD2      LEU  52   7.948 -10.063   7.363
  380   HD23  LEU  52          2HD2      LEU  52   8.155  -8.717   8.489
  381    H    VAL  53           H        VAL  53   5.421 -11.168   4.825
  382    HA   VAL  53           HA       VAL  53   2.962 -11.126   3.299
  383    HB   VAL  53           HB       VAL  53   4.160 -12.751   1.805
  384   HG11  VAL  53          1HG1      VAL  53   5.644 -11.066   0.849
  385   HG12  VAL  53          2HG1      VAL  53   5.551 -10.123   2.338
  386   HG13  VAL  53          3HG1      VAL  53   4.110 -10.354   1.340
  387   HG21  VAL  53          3HG2      VAL  53   6.513 -12.107   3.581
  388   HG22  VAL  53          1HG2      VAL  53   6.568 -13.023   2.071
  389   HG23  VAL  53          2HG2      VAL  53   5.704 -13.671   3.468
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  -2.765  12.516  -4.510
    2    H2   GLY   1           2HT      GLY   1  -2.436  13.458  -3.141
    3    H3   GLY   1           3HT      GLY   1  -2.923  11.844  -2.962
    4    HA2  GLY   1           1HA      GLY   1  -0.574  12.003  -2.580
    5    HA3  GLY   1           2HA      GLY   1  -0.894  11.091  -4.047
    6    H    SER   2           H        SER   2  -0.971  14.589  -3.516
    7    HA   SER   2           HA       SER   2   0.122  16.322  -4.443
    8    HB2  SER   2           2HB      SER   2   2.428  14.387  -4.760
    9    HB3  SER   2           1HB      SER   2   2.525  16.148  -4.723
   10    HG   SER   2           HG       SER   2   2.976  15.567  -2.673
   11    H    SER   3           H        SER   3   2.003  14.166  -6.466
   12    HA   SER   3           HA       SER   3   0.867  15.459  -8.816
   13    HB2  SER   3           2HB      SER   3   2.826  14.179  -9.931
   14    HB3  SER   3           1HB      SER   3   3.221  15.523  -8.856
   15    HG   SER   3           HG       SER   3   4.502  13.920  -8.138
   16    H    SER   4           H        SER   4   0.771  12.456  -7.148
   17    HA   SER   4           HA       SER   4  -0.409  11.132  -9.487
   18    HB2  SER   4           2HB      SER   4   1.496   9.971  -8.419
   19    HB3  SER   4           1HB      SER   4   0.589   9.902  -6.909
   20    HG   SER   4           HG       SER   4   0.543   8.135  -8.807
   21    H    GLY   5           H        GLY   5  -2.400  10.068  -9.309
   22    HA2  GLY   5           2HA      GLY   5  -4.235  11.380  -7.495
   23    HA3  GLY   5           1HA      GLY   5  -4.664  10.287  -8.805
   24    H    LEU   6           H        LEU   6  -3.029  10.270  -5.667
   25    HA   LEU   6           HA       LEU   6  -3.689   7.506  -5.221
   26    HB2  LEU   6           2HB      LEU   6  -2.513   9.558  -3.342
   27    HB3  LEU   6           1HB      LEU   6  -2.645   7.843  -3.008
   28    HG   LEU   6           HG       LEU   6  -0.928   9.114  -5.142
   29   HD11  LEU   6          1HD1      LEU   6  -0.062   9.426  -2.901
   30   HD12  LEU   6          2HD1      LEU   6   0.914   8.246  -3.775
   31   HD13  LEU   6          3HD1      LEU   6  -0.251   7.704  -2.564
   32   HD21  LEU   6          3HD2      LEU   6  -1.283   6.216  -4.392
   33   HD22  LEU   6          1HD2      LEU   6  -0.077   6.848  -5.513
   34   HD23  LEU   6          2HD2      LEU   6  -1.794   6.975  -5.899
   35    HA   PRO   7           HA       PRO   7  -7.664   8.277  -3.339
   36    HB2  PRO   7           2HB      PRO   7  -7.320   5.569  -2.225
   37    HB3  PRO   7           1HB      PRO   7  -8.573   6.175  -3.312
   38    HG2  PRO   7           2HG      PRO   7  -6.671   4.475  -4.152
   39    HG3  PRO   7           1HG      PRO   7  -7.314   5.754  -5.201
   40    HD2  PRO   7           2HD      PRO   7  -4.752   5.681  -3.650
   41    HD3  PRO   7           1HD      PRO   7  -5.046   6.262  -5.303
   42    HA   PRO   8           HA       PRO   8  -6.948   9.473   0.840
   43    HB2  PRO   8           2HB      PRO   8  -9.356   7.913   1.642
   44    HB3  PRO   8           1HB      PRO   8  -8.980   9.620   1.898
   45    HG2  PRO   8           2HG      PRO   8 -10.754   8.876   0.063
   46    HG3  PRO   8           1HG      PRO   8  -9.642  10.222  -0.234
   47    HD2  PRO   8           2HD      PRO   8  -9.548   7.423  -1.276
   48    HD3  PRO   8           1HD      PRO   8  -9.124   8.942  -2.088
   49    H    GLY   9           H        GLY   9  -5.233   8.556   1.768
   50    HA2  GLY   9           2HA      GLY   9  -4.536   7.307   3.678
   51    HA3  GLY   9           1HA      GLY   9  -5.720   6.076   3.271
   52    H    TRP  10           H        TRP  10  -4.265   6.913   0.421
   53    HA   TRP  10           HA       TRP  10  -2.572   4.528   0.580
   54    HB2  TRP  10           2HB      TRP  10  -3.628   6.089  -1.780
   55    HB3  TRP  10           1HB      TRP  10  -2.545   4.709  -1.925
   56    HD1  TRP  10           HD       TRP  10  -5.966   5.384  -0.210
   57    HE1  TRP  10           1HE      TRP  10  -7.472   3.342  -0.625
   58    HE3  TRP  10           3HE      TRP  10  -2.689   2.488  -2.852
   59    HZ2  TRP  10           2HZ      TRP  10  -7.287   0.826  -1.894
   60    HZ3  TRP  10           3HZ      TRP  10  -3.434   0.272  -3.635
   61    HH2  TRP  10           HH       TRP  10  -5.679  -0.536  -3.163
   62    H    GLU  11           H        GLU  11  -0.498   4.751   0.894
   63    HA   GLU  11           HA       GLU  11   0.886   7.139  -0.159
   64    HB2  GLU  11           2HB      GLU  11   1.061   7.007   2.244
   65    HB3  GLU  11           1HB      GLU  11   1.517   5.315   2.168
   66    HG2  GLU  11           2HG      GLU  11   3.488   6.462   2.651
   67    HG3  GLU  11           1HG      GLU  11   3.597   6.085   0.935
   68    H    GLU  12           H        GLU  12   2.691   6.822  -1.487
   69    HA   GLU  12           HA       GLU  12   3.051   4.063  -2.424
   70    HB2  GLU  12           2HB      GLU  12   2.584   5.803  -4.131
   71    HB3  GLU  12           1HB      GLU  12   4.078   6.618  -3.681
   72    HG2  GLU  12           2HG      GLU  12   5.295   4.493  -4.272
   73    HG3  GLU  12           1HG      GLU  12   3.773   3.895  -4.924
   74    H    LYS  13           H        LYS  13   4.721   2.927  -1.714
   75    HA   LYS  13           HA       LYS  13   7.240   4.310  -1.192
   76    HB2  LYS  13           2HB      LYS  13   5.834   2.519   0.779
   77    HB3  LYS  13           1HB      LYS  13   7.556   2.866   0.877
   78    HG2  LYS  13           2HG      LYS  13   6.955   5.299   0.952
   79    HG3  LYS  13           1HG      LYS  13   5.270   4.806   1.117
   80    HD2  LYS  13           2HD      LYS  13   5.787   3.619   3.154
   81    HD3  LYS  13           1HD      LYS  13   7.499   4.002   2.977
   82    HE2  LYS  13           2HE      LYS  13   5.240   5.940   3.442
   83    HE3  LYS  13           1HE      LYS  13   6.511   5.501   4.580
   84    HZ1  LYS  13           3HZ      LYS  13   6.998   7.615   3.583
   85    HZ2  LYS  13           1HZ      LYS  13   6.872   6.973   2.019
   86    HZ3  LYS  13           2HZ      LYS  13   8.137   6.482   3.040
   87    H    GLN  14           H        GLN  14   8.661   2.053  -0.247
   88    HA   GLN  14           HA       GLN  14   8.434   0.209  -2.506
   89    HB2  GLN  14           2HB      GLN  14  10.968   0.405  -2.766
   90    HB3  GLN  14           1HB      GLN  14   9.998   1.742  -3.369
   91    HG2  GLN  14           2HG      GLN  14  11.397   3.044  -2.229
   92    HG3  GLN  14           1HG      GLN  14  10.494   2.533  -0.808
   93   HE21  GLN  14          1HE2      GLN  14  11.391   0.958   0.560
   94   HE22  GLN  14          2HE2      GLN  14  13.085   0.607   0.534
   95    H    ASP  15           H        ASP  15   9.173  -1.875  -2.113
   96    HA   ASP  15           HA       ASP  15   9.658  -2.530   0.661
   97    HB2  ASP  15           2HB      ASP  15   9.635  -4.859  -0.010
   98    HB3  ASP  15           1HB      ASP  15   8.264  -4.026  -0.724
   99    H    ASP  16           H        ASP  16  11.556  -4.549   0.578
  100    HA   ASP  16           HA       ASP  16  13.884  -2.944   0.764
  101    HB2  ASP  16           2HB      ASP  16  13.353  -4.954   2.175
  102    HB3  ASP  16           1HB      ASP  16  13.775  -5.958   0.792
  103    H    ARG  17           H        ARG  17  12.573  -4.860  -1.802
  104    HA   ARG  17           HA       ARG  17  15.070  -5.187  -3.232
  105    HB2  ARG  17           2HB      ARG  17  12.226  -5.534  -4.201
  106    HB3  ARG  17           1HB      ARG  17  13.677  -6.083  -5.030
  107    HG2  ARG  17           2HG      ARG  17  14.072  -7.773  -3.473
  108    HG3  ARG  17           1HG      ARG  17  13.007  -7.036  -2.272
  109    HD2  ARG  17           2HD      ARG  17  12.178  -8.331  -4.866
  110    HD3  ARG  17           1HD      ARG  17  11.925  -8.970  -3.239
  111    HE   ARG  17           HE       ARG  17  10.760  -6.448  -3.293
  112   HH11  ARG  17          1HH1      ARG  17  10.289  -9.557  -4.859
  113   HH12  ARG  17          2HH1      ARG  17   8.594  -9.301  -5.129
  114   HH21  ARG  17          1HH2      ARG  17   8.545  -6.099  -3.682
  115   HH22  ARG  17          2HH2      ARG  17   7.603  -7.335  -4.489
  116    H    GLY  18           H        GLY  18  12.765  -2.721  -2.826
  117    HA2  GLY  18           2HA      GLY  18  13.021  -0.528  -3.632
  118    HA3  GLY  18           1HA      GLY  18  14.051  -1.139  -4.918
  119    H    ARG  19           H        ARG  19  10.978  -2.594  -4.166
  120    HA   ARG  19           HA       ARG  19   9.968  -1.748  -6.787
  121    HB2  ARG  19           2HB      ARG  19  10.067  -4.222  -5.747
  122    HB3  ARG  19           1HB      ARG  19   8.507  -3.726  -5.108
  123    HG2  ARG  19           2HG      ARG  19   8.126  -4.886  -7.148
  124    HG3  ARG  19           1HG      ARG  19   7.809  -3.175  -7.440
  125    HD2  ARG  19           2HD      ARG  19   9.551  -2.958  -8.868
  126    HD3  ARG  19           1HD      ARG  19  10.574  -4.059  -7.944
  127    HE   ARG  19           HE       ARG  19   8.760  -5.727  -9.014
  128   HH11  ARG  19          1HH1      ARG  19  10.717  -3.201 -10.481
  129   HH12  ARG  19          2HH1      ARG  19  10.871  -4.047 -11.993
  130   HH21  ARG  19          1HH2      ARG  19   8.979  -6.806 -10.993
  131   HH22  ARG  19          2HH2      ARG  19   9.884  -6.082 -12.285
  132    H    SER  20           H        SER  20   8.252  -0.394  -6.962
  133    HA   SER  20           HA       SER  20   7.370   0.999  -4.639
  134    HB2  SER  20           2HB      SER  20   6.285   1.172  -7.455
  135    HB3  SER  20           1HB      SER  20   6.077   2.364  -6.172
  136    HG   SER  20           HG       SER  20   7.826   3.201  -6.997
  137    H    TYR  21           H        TYR  21   5.920   0.241  -3.268
  138    HA   TYR  21           HA       TYR  21   3.565  -1.125  -4.380
  139    HB2  TYR  21           2HB      TYR  21   3.260  -2.220  -2.194
  140    HB3  TYR  21           1HB      TYR  21   4.796  -2.654  -2.927
  141    HD1  TYR  21           1HD      TYR  21   3.536   0.049  -0.642
  142    HD2  TYR  21           2HD      TYR  21   6.523  -2.866  -1.432
  143    HE1  TYR  21           1HE      TYR  21   4.684   0.675   1.436
  144    HE2  TYR  21           2HE      TYR  21   7.682  -2.242   0.642
  145    HH   TYR  21           HH       TYR  21   7.855  -0.354   2.156
  146    H    TYR  22           H        TYR  22   1.658  -0.887  -2.702
  147    HA   TYR  22           HA       TYR  22   1.577   1.937  -1.912
  148    HB2  TYR  22           2HB      TYR  22  -0.692   0.122  -2.773
  149    HB3  TYR  22           1HB      TYR  22  -0.915   1.732  -2.096
  150    HD1  TYR  22           2HD      TYR  22  -0.335   3.709  -3.383
  151    HD2  TYR  22           1HD      TYR  22   0.140  -0.188  -5.019
  152    HE1  TYR  22           2HE      TYR  22  -0.113   4.687  -5.624
  153    HE2  TYR  22           1HE      TYR  22   0.364   0.781  -7.267
  154    HH   TYR  22           HH       TYR  22   0.833   4.100  -7.804
  155    H    VAL  23           H        VAL  23   0.959   2.458   0.137
  156    HA   VAL  23           HA       VAL  23   0.308   0.188   1.895
  157    HB   VAL  23           HB       VAL  23   2.399   0.930   2.666
  158   HG11  VAL  23          1HG1      VAL  23   2.987   3.250   3.115
  159   HG12  VAL  23          2HG1      VAL  23   1.404   3.770   2.537
  160   HG13  VAL  23          3HG1      VAL  23   2.548   3.025   1.421
  161   HG21  VAL  23          3HG2      VAL  23   0.849   0.618   4.477
  162   HG22  VAL  23          1HG2      VAL  23   0.277   2.278   4.320
  163   HG23  VAL  23          2HG2      VAL  23   1.927   1.962   4.858
  164    H    ASP  24           H        ASP  24  -1.702   0.172   2.456
  165    HA   ASP  24           HA       ASP  24  -3.271   2.607   2.314
  166    HB2  ASP  24           2HB      ASP  24  -5.197   1.031   2.713
  167    HB3  ASP  24           1HB      ASP  24  -4.286   0.730   1.240
  168    H    HIS  25           H        HIS  25  -3.263   3.865   4.007
  169    HA   HIS  25           HA       HIS  25  -2.630   2.901   6.635
  170    HB2  HIS  25           2HB      HIS  25  -3.561   5.627   5.718
  171    HB3  HIS  25           1HB      HIS  25  -3.039   5.249   7.352
  172    HD1  HIS  25           1HD      HIS  25  -0.439   4.506   7.577
  173    HD2  HIS  25           2HD      HIS  25  -1.571   6.328   4.008
  174    HE1  HIS  25           1HE      HIS  25   1.691   5.304   6.505
  175    HE2  HIS  25           2HE      HIS  25   0.941   6.664   4.525
  176    H    ASN  26           H        ASN  26  -5.456   2.951   4.859
  177    HA   ASN  26           HA       ASN  26  -7.274   3.643   6.952
  178    HB2  ASN  26           2HB      ASN  26  -9.000   2.565   5.376
  179    HB3  ASN  26           1HB      ASN  26  -8.177   4.015   4.828
  180   HD21  ASN  26          1HD2      ASN  26  -8.657   3.514   2.687
  181   HD22  ASN  26          2HD2      ASN  26  -7.814   2.266   1.835
  182    H    SER  27           H        SER  27  -6.433   0.533   5.417
  183    HA   SER  27           HA       SER  27  -7.711  -0.908   7.590
  184    HB2  SER  27           2HB      SER  27  -6.079  -2.039   5.312
  185    HB3  SER  27           1HB      SER  27  -7.229  -2.904   6.327
  186    HG   SER  27           HG       SER  27  -7.656  -1.276   4.147
  187    H    LYS  28           H        LYS  28  -4.650   0.318   6.828
  188    HA   LYS  28           HA       LYS  28  -2.698   0.427   7.991
  189    HB2  LYS  28           2HB      LYS  28  -3.833  -1.656   9.879
  190    HB3  LYS  28           1HB      LYS  28  -2.368  -0.722  10.124
  191    HG2  LYS  28           2HG      LYS  28  -5.147   0.426   9.988
  192    HG3  LYS  28           1HG      LYS  28  -4.257   0.083  11.471
  193    HD2  LYS  28           2HD      LYS  28  -2.540   1.682  10.828
  194    HD3  LYS  28           1HD      LYS  28  -3.383   1.999   9.308
  195    HE2  LYS  28           2HE      LYS  28  -4.467   2.514  12.079
  196    HE3  LYS  28           1HE      LYS  28  -3.834   3.737  10.975
  197    HZ1  LYS  28           3HZ      LYS  28  -6.207   3.734  10.832
  198    HZ2  LYS  28           1HZ      LYS  28  -6.253   2.053  10.577
  199    HZ3  LYS  28           2HZ      LYS  28  -5.597   3.079   9.399
  200    H    THR  29           H        THR  29  -3.328  -1.252   5.775
  201    HA   THR  29           HA       THR  29  -1.488  -3.516   6.184
  202    HB   THR  29           HB       THR  29  -2.891  -3.853   3.750
  203    HG1  THR  29           1HG      THR  29  -4.509  -2.450   4.404
  204   HG21  THR  29          3HG2      THR  29  -2.151  -5.644   5.210
  205   HG22  THR  29          1HG2      THR  29  -3.879  -5.773   4.896
  206   HG23  THR  29          2HG2      THR  29  -3.312  -5.138   6.440
  207    H    THR  30           H        THR  30  -0.344  -4.147   4.070
  208    HA   THR  30           HA       THR  30   0.073  -1.904   2.271
  209    HB   THR  30           HB       THR  30   1.826  -1.607   3.953
  210    HG1  THR  30           1HG      THR  30   2.189  -1.392   1.540
  211   HG21  THR  30          3HG2      THR  30   2.015  -3.948   4.699
  212   HG22  THR  30          1HG2      THR  30   3.585  -3.257   4.288
  213   HG23  THR  30          2HG2      THR  30   2.786  -4.362   3.170
  214    H    THR  31           H        THR  31  -0.032  -2.602   0.244
  215    HA   THR  31           HA       THR  31   1.431  -4.952  -0.561
  216    HB   THR  31           HB       THR  31  -0.599  -6.096   0.009
  217    HG1  THR  31           1HG      THR  31  -0.235  -7.070  -1.847
  218   HG21  THR  31          3HG2      THR  31  -2.089  -4.048  -1.642
  219   HG22  THR  31          1HG2      THR  31  -2.087  -4.138   0.120
  220   HG23  THR  31          2HG2      THR  31  -2.796  -5.445  -0.829
  221    H    TRP  32           H        TRP  32   1.652  -5.014  -2.947
  222    HA   TRP  32           HA       TRP  32   1.237  -2.423  -4.115
  223    HB2  TRP  32           2HB      TRP  32   2.497  -3.103  -5.922
  224    HB3  TRP  32           1HB      TRP  32   3.102  -4.232  -4.722
  225    HD1  TRP  32           HD       TRP  32   2.757  -6.781  -5.195
  226    HE1  TRP  32           1HE      TRP  32   1.774  -8.119  -7.166
  227    HE3  TRP  32           3HE      TRP  32   0.588  -2.939  -7.764
  228    HZ2  TRP  32           2HZ      TRP  32   0.277  -7.596  -9.517
  229    HZ3  TRP  32           3HZ      TRP  32  -0.610  -3.428  -9.865
  230    HH2  TRP  32           HH       TRP  32  -0.752  -5.705 -10.722
  231    H    SER  33           H        SER  33  -0.770  -1.838  -4.397
  232    HA   SER  33           HA       SER  33  -2.585  -3.721  -5.696
  233    HB2  SER  33           2HB      SER  33  -4.389  -2.641  -4.196
  234    HB3  SER  33           1HB      SER  33  -3.317  -3.838  -3.468
  235    HG   SER  33           HG       SER  33  -3.229  -2.190  -2.070
  236    H    LYS  34           H        LYS  34  -3.641  -2.909  -7.360
  237    HA   LYS  34           HA       LYS  34  -3.026  -0.327  -8.323
  238    HB2  LYS  34           2HB      LYS  34  -4.902  -0.828  -9.973
  239    HB3  LYS  34           1HB      LYS  34  -3.549  -1.949  -9.954
  240    HG2  LYS  34           2HG      LYS  34  -4.911  -3.641  -9.550
  241    HG3  LYS  34           1HG      LYS  34  -5.529  -2.837  -8.105
  242    HD2  LYS  34           2HD      LYS  34  -6.502  -2.411 -10.925
  243    HD3  LYS  34           1HD      LYS  34  -7.332  -3.347  -9.678
  244    HE2  LYS  34           2HE      LYS  34  -7.165  -1.141  -8.293
  245    HE3  LYS  34           1HE      LYS  34  -6.907  -0.391  -9.870
  246    HZ1  LYS  34           3HZ      LYS  34  -9.003  -1.258 -10.642
  247    HZ2  LYS  34           1HZ      LYS  34  -9.249  -0.388  -9.208
  248    HZ3  LYS  34           2HZ      LYS  34  -9.250  -2.082  -9.179
  249    HA   PRO  35           HA       PRO  35  -5.929   2.001  -5.977
  250    HB2  PRO  35           2HB      PRO  35  -5.448   4.230  -7.775
  251    HB3  PRO  35           1HB      PRO  35  -4.869   3.997  -6.123
  252    HG2  PRO  35           2HG      PRO  35  -3.208   3.950  -8.256
  253    HG3  PRO  35           1HG      PRO  35  -2.933   2.967  -6.807
  254    HD2  PRO  35           2HD      PRO  35  -4.179   2.148  -9.412
  255    HD3  PRO  35           1HD      PRO  35  -2.915   1.321  -8.465
  256    H    THR  36           H        THR  36  -7.856   3.364  -6.223
  257    HA   THR  36           HA       THR  36  -9.435   2.588  -8.559
  258    HB   THR  36           HB       THR  36 -11.376   3.411  -7.215
  259    HG1  THR  36           1HG      THR  36 -10.971   4.565  -5.512
  260   HG21  THR  36          3HG2      THR  36  -9.651   1.322  -5.879
  261   HG22  THR  36          1HG2      THR  36 -10.799   1.042  -7.189
  262   HG23  THR  36          2HG2      THR  36 -11.376   1.554  -5.603
  263    H    MET  37           H        MET  37 -11.075   4.382  -9.228
  264    HA   MET  37           HA       MET  37  -9.706   6.986  -9.228
  265    HB2  MET  37           2HB      MET  37 -11.085   5.635 -11.558
  266    HB3  MET  37           1HB      MET  37 -10.545   7.311 -11.560
  267    HG2  MET  37           2HG      MET  37  -8.246   6.582 -11.271
  268    HG3  MET  37           1HG      MET  37  -8.778   4.900 -11.221
  269    HE1  MET  37           3HE      MET  37 -10.149   4.354 -14.843
  270    HE2  MET  37           1HE      MET  37 -11.078   4.888 -13.442
  271    HE3  MET  37           2HE      MET  37  -9.860   3.627 -13.261
  272    H    GLN  38           H        GLU  38 -10.976   8.014  -7.784
  273    HA   GLN  38           HA       GLU  38 -13.842   7.647  -7.803
  274    HB2  GLN  38           2HB      GLU  38 -12.256   9.601  -6.126
  275    HB3  GLN  38           1HB      GLU  38 -13.887   9.021  -5.832
  276    HG2  GLN  38           2HG      GLU  38 -11.326   7.472  -5.598
  277    HG3  GLN  38           1HG      GLU  38 -12.430   7.931  -4.307
  278    H    ASP  39           H        ASP  39 -14.543   8.508  -9.726
  279    HA   ASP  39           HA       ASP  39 -14.426  11.445  -9.862
  280    HB2  ASP  39           2HB      ASP  39 -13.169  10.454 -11.730
  281    HB3  ASP  39           1HB      ASP  39 -14.585   9.513 -12.188
  282    H1   ALA  40           1HT      ALA  40 -13.707  -4.062   8.663
  283    H2   ALA  40           2HT      ALA  40 -13.461  -2.405   8.915
  284    H3   ALA  40           3HT      ALA  40 -12.894  -3.530  10.053
  285    HA   ALA  40           HA       ALA  40 -11.920  -3.148   7.289
  286    HB1  ALA  40           2HB      ALA  40 -10.504  -2.787   9.925
  287    HB2  ALA  40           3HB      ALA  40 -11.152  -1.475   8.941
  288    HB3  ALA  40           1HB      ALA  40  -9.837  -2.476   8.323
  289    HA   PRO  41           HA       PRO  41 -11.130  -7.528   7.788
  290    HB2  PRO  41           2HB      PRO  41 -10.195  -7.480   5.042
  291    HB3  PRO  41           1HB      PRO  41 -11.659  -8.214   5.699
  292    HG2  PRO  41           2HG      PRO  41 -11.689  -6.045   4.058
  293    HG3  PRO  41           1HG      PRO  41 -12.931  -6.348   5.287
  294    HD2  PRO  41           2HD      PRO  41 -10.570  -4.506   5.394
  295    HD3  PRO  41           1HD      PRO  41 -12.239  -4.235   5.945
  296    H    LEU  42           H        LEU  42  -8.795  -5.319   6.259
  297    HA   LEU  42           HA       LEU  42  -6.542  -5.358   5.992
  298    HB2  LEU  42           2HB      LEU  42  -6.697  -6.943   8.557
  299    HB3  LEU  42           1HB      LEU  42  -5.182  -6.476   7.811
  300    HG   LEU  42           HG       LEU  42  -6.102  -4.066   7.983
  301   HD11  LEU  42          1HD1      LEU  42  -7.640  -3.662   9.797
  302   HD12  LEU  42          2HD1      LEU  42  -7.784  -5.393  10.103
  303   HD13  LEU  42          3HD1      LEU  42  -8.394  -4.707   8.595
  304   HD21  LEU  42          3HD2      LEU  42  -4.196  -5.003   9.236
  305   HD22  LEU  42          1HD2      LEU  42  -5.315  -5.524  10.499
  306   HD23  LEU  42          2HD2      LEU  42  -5.109  -3.804  10.149
  307    H    SEP  43           H        SEP  43  -6.378  -6.472   4.098
  308    HA   SEP  43           HA       SEP  43  -6.591  -9.355   4.073
  309    HB2  SEP  43           1HB      SEP  43  -6.445  -9.074   1.613
  310    HB3  SEP  43           2HB      SEP  43  -6.140  -7.346   1.846
  311    HA   PRO  44           HA       PRO  44  -2.527 -11.121   3.692
  312    HB2  PRO  44           2HB      PRO  44  -2.694 -10.635   0.738
  313    HB3  PRO  44           1HB      PRO  44  -2.093 -12.049   1.609
  314    HG2  PRO  44           2HG      PRO  44  -4.587 -11.926   0.555
  315    HG3  PRO  44           1HG      PRO  44  -4.190 -12.870   2.002
  316    HD2  PRO  44           2HD      PRO  44  -5.831 -10.480   1.768
  317    HD3  PRO  44           1HD      PRO  44  -5.618 -11.549   3.163
  318    H    MET  45           H        MET  45  -0.795 -10.099   4.328
  319    HA   MET  45           HA       MET  45  -0.027  -7.549   3.092
  320    HB2  MET  45           2HB      MET  45   1.075  -8.776   5.621
  321    HB3  MET  45           1HB      MET  45   1.192  -7.101   5.095
  322    HG2  MET  45           2HG      MET  45  -1.164  -6.774   5.432
  323    HG3  MET  45           1HG      MET  45  -1.376  -8.477   5.824
  324    HE1  MET  45           3HE      MET  45  -2.053  -6.948   9.294
  325    HE2  MET  45           1HE      MET  45  -2.592  -8.069   8.044
  326    HE3  MET  45           2HE      MET  45  -2.574  -6.335   7.725
  327    H    SEP  46           H        SEP  46   1.418  -7.758   1.511
  328    HA   SEP  46           HA       SEP  46   2.864 -10.279   1.404
  329    HB2  SEP  46           1HB      SEP  46   3.016  -9.856  -1.020
  330    HB3  SEP  46           2HB      SEP  46   2.180  -8.314  -0.781
  331    HA   PRO  47           HA       PRO  47   6.561  -7.500   0.496
  332    HB2  PRO  47           2HB      PRO  47   6.431  -4.860   0.205
  333    HB3  PRO  47           1HB      PRO  47   5.908  -5.939  -1.099
  334    HG2  PRO  47           2HG      PRO  47   4.258  -4.486   0.940
  335    HG3  PRO  47           1HG      PRO  47   3.995  -4.638  -0.804
  336    HD2  PRO  47           2HD      PRO  47   2.740  -6.202   1.085
  337    HD3  PRO  47           1HD      PRO  47   3.018  -6.715  -0.593
  338    HA   PRO  48           HA       PRO  48   7.489  -6.270   4.708
  339    HB2  PRO  48           2HB      PRO  48  10.109  -5.661   4.352
  340    HB3  PRO  48           1HB      PRO  48   9.521  -7.329   4.419
  341    HG2  PRO  48           2HG      PRO  48  10.177  -5.648   2.023
  342    HG3  PRO  48           1HG      PRO  48  10.580  -7.346   2.342
  343    HD2  PRO  48           2HD      PRO  48   8.516  -6.620   0.752
  344    HD3  PRO  48           1HD      PRO  48   8.473  -8.085   1.756
  345    H    GLY  49           H        GLY  49   6.509  -4.350   5.207
  346    HA2  GLY  49           2HA      GLY  49   7.984  -1.929   4.679
  347    HA3  GLY  49           1HA      GLY  49   6.448  -2.016   3.836
  348    H    TYR  50           H        TYR  50   4.498  -2.224   5.143
  349    HA   TYR  50           HA       TYR  50   4.572  -0.213   7.155
  350    HB2  TYR  50           2HB      TYR  50   2.702  -0.833   5.443
  351    HB3  TYR  50           1HB      TYR  50   2.164  -1.949   6.697
  352    HD1  TYR  50           2HD      TYR  50   3.435   1.568   6.681
  353    HD2  TYR  50           1HD      TYR  50   0.346  -1.114   7.847
  354    HE1  TYR  50           2HE      TYR  50   2.234   3.427   7.745
  355    HE2  TYR  50           1HE      TYR  50  -0.865   0.740   8.916
  356    HH   TYR  50           HH       TYR  50  -0.278   3.015   9.890
  357    H    LYS  51           H        LYS  51   4.738  -3.637   7.269
  358    HA   LYS  51           HA       LYS  51   4.620  -3.496  10.198
  359    HB2  LYS  51           2HB      LYS  51   3.290  -5.458   8.368
  360    HB3  LYS  51           1HB      LYS  51   3.782  -5.962   9.981
  361    HG2  LYS  51           2HG      LYS  51   2.385  -4.230  10.962
  362    HG3  LYS  51           1HG      LYS  51   1.924  -3.674   9.351
  363    HD2  LYS  51           2HD      LYS  51   0.884  -5.813   8.883
  364    HD3  LYS  51           1HD      LYS  51   1.396  -6.429  10.454
  365    HE2  LYS  51           2HE      LYS  51  -0.334  -3.997  10.184
  366    HE3  LYS  51           1HE      LYS  51  -1.013  -5.621  10.225
  367    HZ1  LYS  51           3HZ      LYS  51   0.668  -4.400  12.349
  368    HZ2  LYS  51           1HZ      LYS  51   0.002  -5.958  12.385
  369    HZ3  LYS  51           2HZ      LYS  51  -1.015  -4.604  12.408
  370    H    LEU  52           H        LEU  52   6.309  -4.323  11.213
  371    HA   LEU  52           HA       LEU  52   8.362  -5.681   9.645
  372    HB2  LEU  52           2HB      LEU  52   8.967  -3.741  11.085
  373    HB3  LEU  52           1HB      LEU  52   8.451  -4.652  12.487
  374    HG   LEU  52           HG       LEU  52  10.229  -6.332  11.990
  375   HD11  LEU  52          1HD1      LEU  52  11.098  -4.295   9.942
  376   HD12  LEU  52          2HD1      LEU  52  10.463  -5.905   9.603
  377   HD13  LEU  52          3HD1      LEU  52  12.007  -5.724  10.434
  378   HD21  LEU  52          3HD2      LEU  52  12.052  -4.972  12.837
  379   HD22  LEU  52          1HD2      LEU  52  10.541  -4.518  13.625
  380   HD23  LEU  52          2HD2      LEU  52  11.210  -3.499  12.350
  381    H    VAL  53           H        VAL  53   7.845  -7.779   9.460
  382    HA   VAL  53           HA       VAL  53   6.608  -9.226  11.613
  383    HB   VAL  53           HB       VAL  53   5.900  -9.793   9.390
  384   HG11  VAL  53          1HG1      VAL  53   7.914  -9.178   8.158
  385   HG12  VAL  53          2HG1      VAL  53   7.358 -10.796   7.726
  386   HG13  VAL  53          3HG1      VAL  53   8.742 -10.594   8.800
  387   HG21  VAL  53          3HG2      VAL  53   7.557 -12.023  10.552
  388   HG22  VAL  53          1HG2      VAL  53   6.242 -12.215   9.393
  389   HG23  VAL  53          2HG2      VAL  53   5.908 -11.599  11.011
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1  -0.182  23.319  -7.373
    2    H2   GLY   1           2HT      GLY   1  -1.680  22.687  -7.858
    3    H3   GLY   1           3HT      GLY   1  -0.480  23.013  -9.012
    4    HA2  GLY   1           1HA      GLY   1  -0.625  20.647  -8.584
    5    HA3  GLY   1           2HA      GLY   1   0.936  21.301  -8.107
    6    H    SER   2           H        SER   2  -0.505  18.905  -7.191
    7    HA   SER   2           HA       SER   2  -0.289  19.442  -4.320
    8    HB2  SER   2           2HB      SER   2  -2.698  19.617  -4.900
    9    HB3  SER   2           1HB      SER   2  -2.644  17.977  -5.541
   10    HG   SER   2           HG       SER   2  -1.727  18.378  -2.933
   11    H    SER   3           H        SER   3  -0.023  17.367  -7.044
   12    HA   SER   3           HA       SER   3   0.931  15.356  -7.417
   13    HB2  SER   3           2HB      SER   3   2.750  16.623  -6.050
   14    HB3  SER   3           1HB      SER   3   2.310  15.526  -4.745
   15    HG   SER   3           HG       SER   3   3.614  15.019  -7.154
   16    H    SER   4           H        SER   4  -1.184  14.413  -7.194
   17    HA   SER   4           HA       SER   4  -1.337  12.600  -4.896
   18    HB2  SER   4           2HB      SER   4  -3.864  12.938  -4.989
   19    HB3  SER   4           1HB      SER   4  -2.929  14.281  -4.335
   20    HG   SER   4           HG       SER   4  -4.097  14.029  -6.904
   21    H    GLY   5           H        GLY   5  -0.560  10.912  -6.185
   22    HA2  GLY   5           2HA      GLY   5  -2.166  10.131  -8.506
   23    HA3  GLY   5           1HA      GLY   5  -0.611   9.450  -8.041
   24    H    LEU   6           H        LEU   6  -1.896   9.458  -5.195
   25    HA   LEU   6           HA       LEU   6  -3.282   6.891  -5.540
   26    HB2  LEU   6           2HB      LEU   6  -2.490   6.446  -3.166
   27    HB3  LEU   6           1HB      LEU   6  -1.284   6.387  -4.433
   28    HG   LEU   6           HG       LEU   6  -0.682   8.782  -3.762
   29   HD11  LEU   6          1HD1      LEU   6  -2.674   9.281  -2.444
   30   HD12  LEU   6          2HD1      LEU   6  -1.212   9.423  -1.473
   31   HD13  LEU   6          3HD1      LEU   6  -2.244   8.004  -1.306
   32   HD21  LEU   6          3HD2      LEU   6   0.746   8.014  -1.946
   33   HD22  LEU   6          1HD2      LEU   6   0.712   6.845  -3.267
   34   HD23  LEU   6          2HD2      LEU   6  -0.218   6.546  -1.799
   35    HA   PRO   7           HA       PRO   7  -6.781   8.628  -3.462
   36    HB2  PRO   7           2HB      PRO   7  -7.325   6.148  -2.032
   37    HB3  PRO   7           1HB      PRO   7  -8.194   6.860  -3.391
   38    HG2  PRO   7           2HG      PRO   7  -6.738   4.583  -3.609
   39    HG3  PRO   7           1HG      PRO   7  -6.956   5.723  -4.951
   40    HD2  PRO   7           2HD      PRO   7  -4.622   5.407  -3.094
   41    HD3  PRO   7           1HD      PRO   7  -4.638   5.653  -4.853
   42    HA   PRO   8           HA       PRO   8  -5.716   9.947   0.627
   43    HB2  PRO   8           2HB      PRO   8  -8.287  10.067   1.681
   44    HB3  PRO   8           1HB      PRO   8  -7.489  11.360   0.784
   45    HG2  PRO   8           2HG      PRO   8  -9.465   9.334  -0.159
   46    HG3  PRO   8           1HG      PRO   8  -9.300  11.040  -0.617
   47    HD2  PRO   8           2HD      PRO   8  -8.460   9.070  -2.229
   48    HD3  PRO   8           1HD      PRO   8  -7.573  10.604  -2.100
   49    H    GLY   9           H        GLY   9  -4.891   8.680   2.136
   50    HA2  GLY   9           2HA      GLY   9  -5.137   7.212   4.009
   51    HA3  GLY   9           1HA      GLY   9  -6.483   6.440   3.183
   52    H    TRP  10           H        TRP  10  -4.204   6.908   0.868
   53    HA   TRP  10           HA       TRP  10  -2.986   4.269   1.338
   54    HB2  TRP  10           2HB      TRP  10  -3.583   5.770  -1.215
   55    HB3  TRP  10           1HB      TRP  10  -2.506   4.377  -1.171
   56    HD1  TRP  10           HD       TRP  10  -6.021   4.909   0.424
   57    HE1  TRP  10           1HE      TRP  10  -7.499   2.920  -0.257
   58    HE3  TRP  10           3HE      TRP  10  -2.734   2.401  -2.570
   59    HZ2  TRP  10           2HZ      TRP  10  -7.313   0.609  -1.851
   60    HZ3  TRP  10           3HZ      TRP  10  -3.442   0.306  -3.630
   61    HH2  TRP  10           HH       TRP  10  -5.696  -0.576  -3.277
   62    H    GLU  11           H        GLU  11  -0.757   3.992   0.957
   63    HA   GLU  11           HA       GLU  11   0.831   6.476   0.866
   64    HB2  GLU  11           2HB      GLU  11   0.758   5.851   3.169
   65    HB3  GLU  11           1HB      GLU  11   1.033   4.162   2.783
   66    HG2  GLU  11           2HG      GLU  11   3.034   4.979   3.707
   67    HG3  GLU  11           1HG      GLU  11   3.313   4.802   1.979
   68    H    GLU  12           H        GLU  12   2.812   6.357  -0.172
   69    HA   GLU  12           HA       GLU  12   3.293   3.994  -1.827
   70    HB2  GLU  12           2HB      GLU  12   4.524   6.750  -1.750
   71    HB3  GLU  12           1HB      GLU  12   5.185   5.453  -2.730
   72    HG2  GLU  12           2HG      GLU  12   3.060   5.309  -3.947
   73    HG3  GLU  12           1HG      GLU  12   2.433   6.651  -2.988
   74    H    LYS  13           H        LYS  13   4.577   2.410  -1.047
   75    HA   LYS  13           HA       LYS  13   7.118   3.155   0.146
   76    HB2  LYS  13           2HB      LYS  13   5.066   1.523   1.621
   77    HB3  LYS  13           1HB      LYS  13   6.785   1.313   1.931
   78    HG2  LYS  13           2HG      LYS  13   5.242   3.889   2.231
   79    HG3  LYS  13           1HG      LYS  13   5.774   2.831   3.545
   80    HD2  LYS  13           2HD      LYS  13   8.066   3.279   3.093
   81    HD3  LYS  13           1HD      LYS  13   7.680   4.072   1.564
   82    HE2  LYS  13           2HE      LYS  13   6.832   5.091   4.277
   83    HE3  LYS  13           1HE      LYS  13   8.263   5.649   3.409
   84    HZ1  LYS  13           3HZ      LYS  13   6.968   7.097   2.369
   85    HZ2  LYS  13           1HZ      LYS  13   5.574   6.466   3.103
   86    HZ3  LYS  13           2HZ      LYS  13   6.132   5.819   1.638
   87    H    GLN  14           H        GLN  14   8.674   1.407   0.154
   88    HA   GLN  14           HA       GLN  14   8.145  -0.407  -2.081
   89    HB2  GLN  14           2HB      GLN  14  10.498  -0.538  -2.401
   90    HB3  GLN  14           1HB      GLN  14  10.127   1.155  -2.117
   91    HG2  GLN  14           2HG      GLN  14  11.243  -0.750  -0.062
   92    HG3  GLN  14           1HG      GLN  14  12.177   0.429  -0.978
   93   HE21  GLN  14          1HE2      GLN  14   9.933  -0.070   1.619
   94   HE22  GLN  14          2HE2      GLN  14  10.050   1.524   2.295
   95    H    ASP  15           H        ASP  15   8.848  -2.622  -1.986
   96    HA   ASP  15           HA       ASP  15   8.449  -3.778   0.666
   97    HB2  ASP  15           2HB      ASP  15   7.945  -5.811  -0.407
   98    HB3  ASP  15           1HB      ASP  15   7.284  -4.591  -1.491
   99    H    ASP  16           H        ASP  16   9.838  -6.181   0.282
  100    HA   ASP  16           HA       ASP  16  12.425  -5.489   1.189
  101    HB2  ASP  16           2HB      ASP  16  11.303  -7.512   1.950
  102    HB3  ASP  16           1HB      ASP  16  11.268  -8.139   0.305
  103    H    ARG  17           H        ARG  17  11.139  -6.425  -1.945
  104    HA   ARG  17           HA       ARG  17  13.827  -6.761  -3.020
  105    HB2  ARG  17           2HB      ARG  17  11.103  -7.262  -4.200
  106    HB3  ARG  17           1HB      ARG  17  12.609  -7.475  -5.092
  107    HG2  ARG  17           2HG      ARG  17  11.865  -8.894  -2.542
  108    HG3  ARG  17           1HG      ARG  17  11.825  -9.594  -4.163
  109    HD2  ARG  17           2HD      ARG  17  14.151  -9.567  -4.359
  110    HD3  ARG  17           1HD      ARG  17  14.331  -8.357  -3.091
  111    HE   ARG  17           HE       ARG  17  13.312 -10.436  -1.738
  112   HH11  ARG  17          1HH1      ARG  17  15.962 -10.164  -3.984
  113   HH12  ARG  17          2HH1      ARG  17  16.914 -11.409  -3.219
  114   HH21  ARG  17          1HH2      ARG  17  14.555 -12.058  -0.711
  115   HH22  ARG  17          2HH2      ARG  17  16.103 -12.499  -1.361
  116    H    GLY  18           H        GLY  18  11.258  -4.418  -3.055
  117    HA2  GLY  18           2HA      GLY  18  12.109  -2.132  -3.370
  118    HA3  GLY  18           1HA      GLY  18  13.055  -2.746  -4.712
  119    H    ARG  19           H        ARG  19   9.744  -3.754  -4.252
  120    HA   ARG  19           HA       ARG  19   9.000  -2.237  -6.645
  121    HB2  ARG  19           2HB      ARG  19   7.796  -4.567  -5.199
  122    HB3  ARG  19           1HB      ARG  19   6.769  -3.564  -6.211
  123    HG2  ARG  19           2HG      ARG  19   7.505  -5.443  -7.481
  124    HG3  ARG  19           1HG      ARG  19   8.299  -3.998  -8.111
  125    HD2  ARG  19           2HD      ARG  19  10.191  -4.700  -6.430
  126    HD3  ARG  19           1HD      ARG  19   9.440  -6.289  -6.584
  127    HE   ARG  19           HE       ARG  19   9.987  -5.020  -9.106
  128   HH11  ARG  19          1HH1      ARG  19  11.205  -7.156  -6.620
  129   HH12  ARG  19          2HH1      ARG  19  12.526  -7.743  -7.584
  130   HH21  ARG  19          1HH2      ARG  19  11.678  -5.790 -10.388
  131   HH22  ARG  19          2HH2      ARG  19  12.792  -6.967  -9.750
  132    H    SER  20           H        SER  20   8.015  -0.350  -6.458
  133    HA   SER  20           HA       SER  20   7.163   0.675  -3.955
  134    HB2  SER  20           2HB      SER  20   6.515   1.698  -6.737
  135    HB3  SER  20           1HB      SER  20   6.361   2.603  -5.232
  136    HG   SER  20           HG       SER  20   8.300   3.133  -6.261
  137    H    TYR  21           H        TYR  21   5.489  -0.217  -2.940
  138    HA   TYR  21           HA       TYR  21   3.082  -0.795  -4.510
  139    HB2  TYR  21           2HB      TYR  21   2.416  -2.338  -2.731
  140    HB3  TYR  21           1HB      TYR  21   4.006  -2.769  -3.354
  141    HD1  TYR  21           1HD      TYR  21   2.356  -0.927  -0.557
  142    HD2  TYR  21           2HD      TYR  21   5.791  -3.087  -1.853
  143    HE1  TYR  21           1HE      TYR  21   3.252  -0.878   1.734
  144    HE2  TYR  21           2HE      TYR  21   6.683  -3.044   0.435
  145    HH   TYR  21           HH       TYR  21   4.797  -2.094   3.127
  146    H    TYR  22           H        TYR  22   1.088  -0.699  -2.889
  147    HA   TYR  22           HA       TYR  22   1.306   1.882  -1.500
  148    HB2  TYR  22           2HB      TYR  22  -1.253   0.792  -2.663
  149    HB3  TYR  22           1HB      TYR  22  -0.901   2.427  -2.124
  150    HD1  TYR  22           2HD      TYR  22   0.482   3.926  -3.498
  151    HD2  TYR  22           1HD      TYR  22  -0.677   0.068  -4.882
  152    HE1  TYR  22           2HE      TYR  22   1.059   4.584  -5.791
  153    HE2  TYR  22           1HE      TYR  22  -0.104   0.716  -7.186
  154    HH   TYR  22           HH       TYR  22   0.143   2.773  -8.523
  155    H    VAL  23           H        VAL  23   0.474   2.016   0.531
  156    HA   VAL  23           HA       VAL  23  -0.533  -0.511   1.661
  157    HB   VAL  23           HB       VAL  23   1.636  -0.218   2.567
  158   HG11  VAL  23          1HG1      VAL  23   2.399   1.838   3.650
  159   HG12  VAL  23          2HG1      VAL  23   0.889   2.626   3.202
  160   HG13  VAL  23          3HG1      VAL  23   2.011   2.098   1.952
  161   HG21  VAL  23          3HG2      VAL  23  -0.033  -0.856   4.213
  162   HG22  VAL  23          1HG2      VAL  23  -0.336   0.845   4.584
  163   HG23  VAL  23          2HG2      VAL  23   1.235   0.126   4.942
  164    H    ASP  24           H        ASP  24  -2.362  -0.481   2.760
  165    HA   ASP  24           HA       ASP  24  -3.918   1.961   2.815
  166    HB2  ASP  24           2HB      ASP  24  -5.196   0.120   2.145
  167    HB3  ASP  24           1HB      ASP  24  -4.511  -0.928   3.377
  168    H    HIS  25           H        HIS  25  -4.252   3.229   4.501
  169    HA   HIS  25           HA       HIS  25  -2.821   2.686   6.951
  170    HB2  HIS  25           2HB      HIS  25  -4.413   5.061   6.000
  171    HB3  HIS  25           1HB      HIS  25  -3.708   4.971   7.605
  172    HD1  HIS  25           1HD      HIS  25  -1.083   5.023   7.748
  173    HD2  HIS  25           2HD      HIS  25  -2.694   5.768   3.993
  174    HE1  HIS  25           1HE      HIS  25   0.781   6.038   6.396
  175    HE2  HIS  25           2HE      HIS  25  -0.316   6.746   4.235
  176    H    ASN  26           H        ASN  26  -5.910   1.900   5.912
  177    HA   ASN  26           HA       ASN  26  -7.317   2.687   8.313
  178    HB2  ASN  26           2HB      ASN  26  -8.252   1.044   5.949
  179    HB3  ASN  26           1HB      ASN  26  -9.279   1.598   7.264
  180   HD21  ASN  26          1HD2      ASN  26  -7.672   2.423   4.340
  181   HD22  ASN  26          2HD2      ASN  26  -8.281   4.045   4.224
  182    H    SER  27           H        SER  27  -6.600  -0.445   6.743
  183    HA   SER  27           HA       SER  27  -6.978  -1.705   9.390
  184    HB2  SER  27           2HB      SER  27  -6.970  -2.982   6.644
  185    HB3  SER  27           1HB      SER  27  -7.307  -3.800   8.170
  186    HG   SER  27           HG       SER  27  -8.867  -1.639   7.968
  187    H    LYS  28           H        LYS  28  -4.674  -0.603   7.326
  188    HA   LYS  28           HA       LYS  28  -2.416  -0.543   7.466
  189    HB2  LYS  28           2HB      LYS  28  -2.702  -2.334   9.888
  190    HB3  LYS  28           1HB      LYS  28  -1.271  -1.425   9.427
  191    HG2  LYS  28           2HG      LYS  28  -3.896  -0.113  10.066
  192    HG3  LYS  28           1HG      LYS  28  -2.672  -0.451  11.285
  193    HD2  LYS  28           2HD      LYS  28  -2.110   1.154   8.799
  194    HD3  LYS  28           1HD      LYS  28  -2.658   1.886  10.309
  195    HE2  LYS  28           2HE      LYS  28  -0.681   0.708  11.404
  196    HE3  LYS  28           1HE      LYS  28  -0.095   0.405   9.768
  197    HZ1  LYS  28           3HZ      LYS  28  -0.054   2.784   9.370
  198    HZ2  LYS  28           1HZ      LYS  28   0.876   2.413  10.738
  199    HZ3  LYS  28           2HZ      LYS  28  -0.670   3.089  10.917
  200    H    THR  29           H        THR  29  -2.472  -1.694   5.483
  201    HA   THR  29           HA       THR  29  -1.372  -4.388   5.676
  202    HB   THR  29           HB       THR  29  -3.778  -4.760   5.502
  203    HG1  THR  29           1HG      THR  29  -2.713  -5.275   2.928
  204   HG21  THR  29          3HG2      THR  29  -3.589  -3.104   2.983
  205   HG22  THR  29          1HG2      THR  29  -4.462  -2.681   4.460
  206   HG23  THR  29          2HG2      THR  29  -4.996  -4.047   3.481
  207    H    THR  30           H        THR  30  -0.204  -5.037   3.907
  208    HA   THR  30           HA       THR  30   0.588  -2.917   2.075
  209    HB   THR  30           HB       THR  30   2.334  -4.138   3.317
  210    HG1  THR  30           1HG      THR  30   3.533  -3.827   1.621
  211   HG21  THR  30          3HG2      THR  30   1.213  -6.315   3.480
  212   HG22  THR  30          1HG2      THR  30   2.843  -6.465   2.818
  213   HG23  THR  30          2HG2      THR  30   1.446  -6.557   1.748
  214    H    THR  31           H        THR  31  -0.030  -2.938  -0.081
  215    HA   THR  31           HA       THR  31  -0.776  -5.459  -1.314
  216    HB   THR  31           HB       THR  31  -2.897  -4.921  -0.345
  217    HG1  THR  31           1HG      THR  31  -2.700  -5.366  -2.788
  218   HG21  THR  31          3HG2      THR  31  -4.041  -2.785  -0.719
  219   HG22  THR  31          1HG2      THR  31  -2.608  -2.171  -1.544
  220   HG23  THR  31          2HG2      THR  31  -2.532  -2.577   0.169
  221    H    TRP  32           H        TRP  32  -0.281  -5.476  -3.471
  222    HA   TRP  32           HA       TRP  32   0.271  -2.845  -4.672
  223    HB2  TRP  32           2HB      TRP  32   1.971  -4.903  -4.640
  224    HB3  TRP  32           1HB      TRP  32   1.033  -5.389  -6.043
  225    HD1  TRP  32           HD       TRP  32   4.148  -3.921  -5.491
  226    HE1  TRP  32           1HE      TRP  32   4.843  -2.218  -7.286
  227    HE3  TRP  32           3HE      TRP  32  -0.423  -3.027  -7.614
  228    HZ2  TRP  32           2HZ      TRP  32   3.630  -0.693  -9.323
  229    HZ3  TRP  32           3HZ      TRP  32  -0.572  -1.430  -9.470
  230    HH2  TRP  32           HH       TRP  32   1.416  -0.288 -10.313
  231    H    SER  33           H        SER  33  -1.862  -2.373  -5.091
  232    HA   SER  33           HA       SER  33  -2.889  -3.719  -7.468
  233    HB2  SER  33           2HB      SER  33  -4.564  -2.886  -5.086
  234    HB3  SER  33           1HB      SER  33  -5.200  -3.492  -6.615
  235    HG   SER  33           HG       SER  33  -3.290  -5.071  -5.331
  236    H    LYS  34           H        LYS  34  -3.846  -2.267  -8.955
  237    HA   LYS  34           HA       LYS  34  -3.594   0.552  -8.238
  238    HB2  LYS  34           2HB      LYS  34  -4.146  -0.815 -10.868
  239    HB3  LYS  34           1HB      LYS  34  -4.231   0.927 -10.656
  240    HG2  LYS  34           2HG      LYS  34  -1.807  -0.823 -10.344
  241    HG3  LYS  34           1HG      LYS  34  -2.118   0.361 -11.613
  242    HD2  LYS  34           2HD      LYS  34  -1.590   0.874  -8.692
  243    HD3  LYS  34           1HD      LYS  34  -0.584   1.331 -10.062
  244    HE2  LYS  34           2HE      LYS  34  -3.275   2.452  -9.306
  245    HE3  LYS  34           1HE      LYS  34  -1.720   3.283  -9.269
  246    HZ1  LYS  34           3HZ      LYS  34  -2.817   4.006 -11.211
  247    HZ2  LYS  34           1HZ      LYS  34  -3.270   2.431 -11.648
  248    HZ3  LYS  34           2HZ      LYS  34  -1.643   2.903 -11.742
  249    HA   PRO  35           HA       PRO  35  -7.871   0.594  -7.002
  250    HB2  PRO  35           2HB      PRO  35  -7.462   3.503  -7.500
  251    HB3  PRO  35           1HB      PRO  35  -8.108   2.690  -6.068
  252    HG2  PRO  35           2HG      PRO  35  -5.652   3.689  -6.041
  253    HG3  PRO  35           1HG      PRO  35  -5.991   2.125  -5.274
  254    HD2  PRO  35           2HD      PRO  35  -4.691   2.709  -7.906
  255    HD3  PRO  35           1HD      PRO  35  -4.281   1.466  -6.705
  256    H    THR  36           H        THR  36  -9.610   0.283  -8.263
  257    HA   THR  36           HA       THR  36  -9.341   1.005 -11.072
  258    HB   THR  36           HB       THR  36 -11.424  -0.785  -9.814
  259    HG1  THR  36           1HG      THR  36  -9.090  -1.392  -9.572
  260   HG21  THR  36          3HG2      THR  36 -10.412  -0.564 -12.652
  261   HG22  THR  36          1HG2      THR  36 -11.967   0.031 -12.069
  262   HG23  THR  36          2HG2      THR  36 -11.630  -1.698 -12.070
  263    H    MET  37           H        MET  37  -9.737   3.271 -10.198
  264    HA   MET  37           HA       MET  37 -12.020   4.237 -11.416
  265    HB2  MET  37           2HB      MET  37 -12.501   3.533  -8.626
  266    HB3  MET  37           1HB      MET  37 -12.790   5.237  -8.938
  267    HG2  MET  37           2HG      MET  37 -14.065   2.905 -10.347
  268    HG3  MET  37           1HG      MET  37 -14.835   4.022  -9.218
  269    HE1  MET  37           3HE      MET  37 -16.793   4.450 -10.974
  270    HE2  MET  37           1HE      MET  37 -16.025   3.335 -12.098
  271    HE3  MET  37           2HE      MET  37 -16.521   4.936 -12.649
  272    H    GLN  38           H        GLU  38 -11.378   6.169 -12.084
  273    HA   GLN  38           HA       GLU  38  -9.475   7.678 -10.432
  274    HB2  GLN  38           2HB      GLU  38 -10.095   7.714 -13.373
  275    HB3  GLN  38           1HB      GLU  38  -9.222   9.031 -12.608
  276    HG2  GLN  38           2HG      GLU  38  -7.521   7.413 -11.849
  277    HG3  GLN  38           1HG      GLU  38  -8.391   6.146 -12.711
  278    H    ASP  39           H        ASP  39 -10.045   9.526  -9.495
  279    HA   ASP  39           HA       ASP  39 -12.736  10.561  -9.981
  280    HB2  ASP  39           2HB      ASP  39 -12.120  10.116  -7.650
  281    HB3  ASP  39           1HB      ASP  39 -10.735  11.193  -7.800
  282    H1   ALA  40           1HT      ALA  40  -3.350  -7.066  13.857
  283    H2   ALA  40           2HT      ALA  40  -4.516  -6.655  15.014
  284    H3   ALA  40           3HT      ALA  40  -3.682  -5.434  14.183
  285    HA   ALA  40           HA       ALA  40  -5.572  -7.374  12.993
  286    HB1  ALA  40           2HB      ALA  40  -6.651  -5.639  14.388
  287    HB2  ALA  40           3HB      ALA  40  -7.054  -5.483  12.677
  288    HB3  ALA  40           1HB      ALA  40  -5.868  -4.401  13.407
  289    HA   PRO  41           HA       PRO  41  -3.597  -5.845   9.243
  290    HB2  PRO  41           2HB      PRO  41  -3.824  -8.123   7.849
  291    HB3  PRO  41           1HB      PRO  41  -2.595  -7.951   9.107
  292    HG2  PRO  41           2HG      PRO  41  -5.091  -9.531   9.123
  293    HG3  PRO  41           1HG      PRO  41  -3.609  -9.753  10.069
  294    HD2  PRO  41           2HD      PRO  41  -6.064  -8.463  10.865
  295    HD3  PRO  41           1HD      PRO  41  -4.603  -8.735  11.832
  296    H    LEU  42           H        LEU  42  -4.644  -6.705   6.815
  297    HA   LEU  42           HA       LEU  42  -7.480  -6.007   7.077
  298    HB2  LEU  42           2HB      LEU  42  -6.156  -4.558   5.584
  299    HB3  LEU  42           1HB      LEU  42  -5.743  -5.954   4.609
  300    HG   LEU  42           HG       LEU  42  -7.974  -6.184   3.810
  301   HD11  LEU  42          1HD1      LEU  42  -9.814  -4.737   4.578
  302   HD12  LEU  42          2HD1      LEU  42  -8.751  -4.091   5.830
  303   HD13  LEU  42          3HD1      LEU  42  -9.199  -5.798   5.846
  304   HD21  LEU  42          3HD2      LEU  42  -8.380  -3.976   2.781
  305   HD22  LEU  42          1HD2      LEU  42  -6.691  -4.468   2.688
  306   HD23  LEU  42          2HD2      LEU  42  -7.194  -3.270   3.878
  307    H    SEP  43           H        SEP  43  -6.290  -7.592   4.237
  308    HA   SEP  43           HA       SEP  43  -6.943 -10.244   5.109
  309    HB2  SEP  43           1HB      SEP  43  -8.732 -10.640   3.450
  310    HB3  SEP  43           2HB      SEP  43  -8.711  -8.923   3.034
  311    HA   PRO  44           HA       PRO  44  -5.477 -10.315   0.428
  312    HB2  PRO  44           2HB      PRO  44  -4.375  -7.562   0.220
  313    HB3  PRO  44           1HB      PRO  44  -5.221  -8.535  -0.992
  314    HG2  PRO  44           2HG      PRO  44  -6.457  -6.513   0.220
  315    HG3  PRO  44           1HG      PRO  44  -7.316  -8.025  -0.123
  316    HD2  PRO  44           2HD      PRO  44  -6.180  -7.031   2.462
  317    HD3  PRO  44           1HD      PRO  44  -7.706  -7.885   2.154
  318    H    MET  45           H        MET  45  -3.372  -7.721   1.597
  319    HA   MET  45           HA       MET  45  -1.133  -7.629   1.941
  320    HB2  MET  45           2HB      MET  45  -1.622 -10.301   3.269
  321    HB3  MET  45           1HB      MET  45  -0.145  -9.356   3.418
  322    HG2  MET  45           2HG      MET  45  -1.517  -7.504   4.372
  323    HG3  MET  45           1HG      MET  45  -2.895  -8.596   4.374
  324    HE1  MET  45           3HE      MET  45   0.906  -9.194   6.912
  325    HE2  MET  45           1HE      MET  45   0.613  -7.785   5.892
  326    HE3  MET  45           2HE      MET  45   0.874  -9.366   5.159
  327    H    SEP  46           H        SEP  46  -0.455  -7.686  -0.166
  328    HA   SEP  46           HA       SEP  46  -0.091 -10.306  -1.411
  329    HB2  SEP  46           1HB      SEP  46  -0.050  -9.051  -3.546
  330    HB3  SEP  46           2HB      SEP  46  -0.237  -7.543  -2.640
  331    HA   PRO  47           HA       PRO  47   4.322  -8.215  -1.982
  332    HB2  PRO  47           2HB      PRO  47   4.122  -6.210   0.217
  333    HB3  PRO  47           1HB      PRO  47   4.958  -6.101  -1.337
  334    HG2  PRO  47           2HG      PRO  47   2.702  -4.783  -0.977
  335    HG3  PRO  47           1HG      PRO  47   2.998  -5.634  -2.506
  336    HD2  PRO  47           2HD      PRO  47   1.309  -6.486  -0.173
  337    HD3  PRO  47           1HD      PRO  47   0.949  -6.569  -1.912
  338    HA   PRO  48           HA       PRO  48   5.911 -10.820   1.127
  339    HB2  PRO  48           2HB      PRO  48   8.326  -9.743   1.836
  340    HB3  PRO  48           1HB      PRO  48   8.036 -10.616   0.326
  341    HG2  PRO  48           2HG      PRO  48   8.083  -7.660   0.831
  342    HG3  PRO  48           1HG      PRO  48   8.787  -8.581  -0.512
  343    HD2  PRO  48           2HD      PRO  48   6.475  -7.253  -0.785
  344    HD3  PRO  48           1HD      PRO  48   6.746  -8.814  -1.586
  345    H    GLY  49           H        GLY  49   4.847  -7.850   2.142
  346    HA2  GLY  49           2HA      GLY  49   3.798  -8.237   4.418
  347    HA3  GLY  49           1HA      GLY  49   5.448  -8.507   4.949
  348    H    TYR  50           H        TYR  50   3.466  -6.581   5.821
  349    HA   TYR  50           HA       TYR  50   5.261  -4.318   5.952
  350    HB2  TYR  50           2HB      TYR  50   3.940  -3.467   4.160
  351    HB3  TYR  50           1HB      TYR  50   2.452  -4.092   4.866
  352    HD1  TYR  50           2HD      TYR  50   5.069  -1.484   5.245
  353    HD2  TYR  50           1HD      TYR  50   1.196  -2.808   6.418
  354    HE1  TYR  50           2HE      TYR  50   4.665   0.677   6.351
  355    HE2  TYR  50           1HE      TYR  50   0.784  -0.652   7.529
  356    HH   TYR  50           HH       TYR  50   2.884   2.058   7.133
  357    H    LYS  51           H        LYS  51   5.548  -4.511   8.108
  358    HA   LYS  51           HA       LYS  51   3.957  -3.121   9.794
  359    HB2  LYS  51           2HB      LYS  51   2.323  -5.051   9.375
  360    HB3  LYS  51           1HB      LYS  51   3.397  -6.028  10.372
  361    HG2  LYS  51           2HG      LYS  51   2.877  -4.889  12.300
  362    HG3  LYS  51           1HG      LYS  51   2.419  -3.424  11.432
  363    HD2  LYS  51           2HD      LYS  51   0.839  -6.001  11.438
  364    HD3  LYS  51           1HD      LYS  51   0.479  -4.585  12.433
  365    HE2  LYS  51           2HE      LYS  51   0.151  -3.246  10.425
  366    HE3  LYS  51           1HE      LYS  51   0.550  -4.634   9.416
  367    HZ1  LYS  51           3HZ      LYS  51  -1.393  -5.776  10.378
  368    HZ2  LYS  51           1HZ      LYS  51  -1.821  -4.376   9.525
  369    HZ3  LYS  51           2HZ      LYS  51  -1.803  -4.368  11.217
  370    H    LEU  52           H        LEU  52   6.239  -2.658  10.041
  371    HA   LEU  52           HA       LEU  52   7.599  -4.487  11.878
  372    HB2  LEU  52           2HB      LEU  52   9.606  -3.182  11.512
  373    HB3  LEU  52           1HB      LEU  52   8.925  -3.692   9.983
  374    HG   LEU  52           HG       LEU  52   8.439  -0.927  11.072
  375   HD11  LEU  52          1HD1      LEU  52  10.868  -1.308  10.947
  376   HD12  LEU  52          2HD1      LEU  52  10.307  -0.138   9.756
  377   HD13  LEU  52          3HD1      LEU  52  10.688  -1.784   9.256
  378   HD21  LEU  52          3HD2      LEU  52   8.411  -2.057   8.273
  379   HD22  LEU  52          1HD2      LEU  52   8.052  -0.391   8.724
  380   HD23  LEU  52          2HD2      LEU  52   6.988  -1.698   9.251
  381    H    VAL  53           H        VAL  53   6.543  -1.138  11.572
  382    HA   VAL  53           HA       VAL  53   6.117  -1.033  14.457
  383    HB   VAL  53           HB       VAL  53   7.418   1.249  12.952
  384   HG11  VAL  53          1HG1      VAL  53   5.927   1.919  14.786
  385   HG12  VAL  53          2HG1      VAL  53   7.613   2.298  15.137
  386   HG13  VAL  53          3HG1      VAL  53   6.849   0.900  15.893
  387   HG21  VAL  53          3HG2      VAL  53   8.663  -0.575  15.006
  388   HG22  VAL  53          1HG2      VAL  53   9.433   0.810  14.238
  389   HG23  VAL  53          2HG2      VAL  53   9.003  -0.608  13.275