#!/usr/bin/env perl

use strict;
use warnings;


my $file1 = "2hgs_d00_internal_nrg_e.dat";
my $file2 = "2HGS_bio_conv-min_p.pdb";



open( MYFILE, '<', $file1 ) or die "cannot open $file1: $!";
open( NEWF,   '<', $file2 ) or die "cannot open $file2: $!";



my (@a_vals, @b_vals);

while ( <MYFILE> ) {
    chomp;
    my( $label, $index, $value ) = ( split /\s+/ )[3, 5, -1];
    
    $a_vals[ $index ] = $value;
    $b_vals[ $index ] = $value;
    
    
}

close MYFILE;

while ( <NEWF> ) {
    chomp;
    my @fields = ( split /\s+/ );
    my $index = $fields[4];
    my $label = $fields[-1];
    
if ($label eq "A"){
$fields[-2] = $a_vals[ $index ]
    
   }
   if ($label eq "B"){
$fields[-2] = $b_vals[ $index ]
    
   }
    my $output = join "\t", @fields;
    print  "$output\n";


}   
close NEWF;
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