<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN" "http://www.w3.org/TR/REC-html40/loose.dtd">
<html lang="en">
<head>
<meta content="text/html; charset=US-ASCII" http-equiv="Content-Type">
<title>
GitLab
</title>
<style>img {
max-width: 100%; height: auto;
}
</style>
</head>
<body>
<div class="content">
<h3>
Steffen Möller pushed to branch upstream
at <a href="https://salsa.debian.org/med-team/tm-align">Debian Med / tm-align</a>
</h3>
<h4>
Commits:
</h4>
<ul>
<li>
<strong><a href="https://salsa.debian.org/med-team/tm-align/commit/d52100bb71b9a16925519e546bba87e772ed8b4e">d52100bb</a></strong>
<div>
<span>by Steffen Moeller</span>
<i>at 2019-12-17T16:22:56Z</i>
</div>
<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">New upstream version 20190822+dfsg</pre>
</li>
</ul>
<h4>4 changed files:</h4>
<ul>
<li class="file-stats">
<a href="#5e963b36f3511ac8f4d23045a3cf81ed9b2c9cf9">
<span class="new-file">
+
TMalign.cpp
</span>
</a>
</li>
<li class="file-stats">
<a href="#24528cab7c3f2c7dd37aef0e3f373774e9d9f3ae">
TMalign.f
</a>
</li>
<li class="file-stats">
<a href="#d6ac2b0eca571fbff25ca20da003fc30877fea2e">
<span class="new-file">
+
TMscore.cpp
</span>
</a>
</li>
<li class="file-stats">
<a href="#886c688b634570864167587ea43f1c26b6014086">
TMscore.f
</a>
</li>
</ul>
<h4>Changes:</h4>
<li id="5e963b36f3511ac8f4d23045a3cf81ed9b2c9cf9">
<a href="https://salsa.debian.org/med-team/tm-align/commit/d52100bb71b9a16925519e546bba87e772ed8b4e#5e963b36f3511ac8f4d23045a3cf81ed9b2c9cf9"><strong>TMalign.cpp</strong></a>
The diff for this file was not included because it is too large.
<br>
</li>
<li id="24528cab7c3f2c7dd37aef0e3f373774e9d9f3ae">
<a href="https://salsa.debian.org/med-team/tm-align/commit/d52100bb71b9a16925519e546bba87e772ed8b4e#24528cab7c3f2c7dd37aef0e3f373774e9d9f3ae"><strong>TMalign.f</strong></a>
<hr>
<table class="code white" style="font-family: monospace; font-size: 90%;" bgcolor="#fff" width="100%" cellpadding="0" cellspacing="0">
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="77" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="77" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -77,6 +77,8 @@</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="77" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
77
</td>
<td class="diff-line-num new_line" data-linenumber="77" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
77
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC77" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2017</span><span class="p">/</span><span class="mi" style="color: #099;">07</span><span class="p">/</span><span class="mi" style="color: #099;">08</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Added</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">one</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">iteration</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">initial4</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">to</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">avoid</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">asymmetric</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">alignment</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="78" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
78
</td>
<td class="diff-line-num new_line" data-linenumber="78" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
78
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC78" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2019</span><span class="p">/</span><span class="mi" style="color: #099;">07</span><span class="p">/</span><span class="mi" style="color: #099;">08</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Enable</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">TM</span><span class="o" style="font-weight: 600;">-</span><span class="n" style="color: #333;">align</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">to</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">support</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">both</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">PDB</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">and</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mmCIF</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">formats</span><span class="p">,</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">and</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="79" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
79
</td>
<td class="diff-line-num new_line" data-linenumber="79" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
79
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC79" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">fixed</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">a</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">bug</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">on</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">file</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="80" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="80" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
80
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC80" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2019</span><span class="p">/</span><span class="mi" style="color: #099;">08</span><span class="p">/</span><span class="mi" style="color: #099;">18</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Fixed</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">multiple</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">bugs</span><span class="w" style="color: #bbb;"> </span><span class="nb" style="color: #0086b3;">associated</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">with</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mmCIF</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">formats</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="80" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="81" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
81
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC81" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2019</span><span class="p">/</span><span class="mi" style="color: #099;">08</span><span class="p">/</span><span class="mi" style="color: #099;">22</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">added</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">scripts</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">for</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="p">,</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">C</span><span class="o" style="font-weight: 600;">++</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">version</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">was</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">included</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="80" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
80
</td>
<td class="diff-line-num new_line" data-linenumber="82" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
82
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC82" class="line" lang="fortran"><span class="o" style="font-weight: 600;">**************************************************************************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="81" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
81
</td>
<td class="diff-line-num new_line" data-linenumber="83" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
83
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC83" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="82" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
82
</td>
<td class="diff-line-num new_line" data-linenumber="84" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
84
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC84" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">3</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">4</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">5</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">6</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">7</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="102" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="104" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -102,7 +104,7 @@ c 3456789012345678901234567890123456789012345678901234567890123456789012345678</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="102" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
102
</td>
<td class="diff-line-num new_line" data-linenumber="104" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
104
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC104" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">500</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">fnam</span><span class="p">,</span><span class="n" style="color: #333;">pdb</span><span class="p">(</span><span class="mi" style="color: #099;">100</span><span class="p">),</span><span class="n" style="color: #333;">outname</span><span class="p">,</span><span class="n" style="color: #333;">falign</span><span class="p">,</span><span class="n" style="color: #333;">fmatrix</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="103" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
103
</td>
<td class="diff-line-num new_line" data-linenumber="105" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
105
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC105" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">3</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">aa</span><span class="p">(</span><span class="mi" style="color: #099;">-1</span><span class="p">:</span><span class="mi" style="color: #099;">20</span><span class="p">),</span><span class="n" style="color: #333;">aanam</span><span class="p">,</span><span class="n" style="color: #333;">ss</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">nmax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="104" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
104
</td>
<td class="diff-line-num new_line" data-linenumber="106" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
106
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC106" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">500</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">s</span><span class="p">,</span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">dum1</span><span class="p">,</span><span class="n" style="color: #333;">dum2</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="105" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
105
</td>
<td class="diff-line-num new_line old" data-linenumber="107" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC105" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">504</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;"><span class="idiff left">outnameall_tmp</span></span><span class="p"><span class="idiff">,</span></span><span class="n" style="color: #333;"><span class="idiff right">outnameall</span></span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="106" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="107" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
107
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC107" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">504</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;"><span class="idiff left">xxx</span></span><span class="p"><span class="idiff">,</span></span><span class="n" style="color: #333;"><span class="idiff">xxx_p</span></span><span class="p"><span class="idiff">,</span></span><span class="n" style="color: #333;"><span class="idiff right">xxx_pdb</span></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="106" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
106
</td>
<td class="diff-line-num new_line" data-linenumber="108" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
108
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC108" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">aseq1</span><span class="p">(</span><span class="n" style="color: #333;">nmax2</span><span class="p">),</span><span class="n" style="color: #333;">aseq2</span><span class="p">(</span><span class="n" style="color: #333;">nmax2</span><span class="p">),</span><span class="n" style="color: #333;">aseq3</span><span class="p">(</span><span class="n" style="color: #333;">nmax2</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="107" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
107
</td>
<td class="diff-line-num new_line" data-linenumber="109" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
109
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC109" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">8</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">version</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="108" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
108
</td>
<td class="diff-line-num new_line" data-linenumber="110" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
110
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC110" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">5000</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">s1</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!maximum length of protein is 5000</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="113" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="115" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -113,11 +115,13 @@ ccc mmCIF</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="113" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
113
</td>
<td class="diff-line-num new_line" data-linenumber="115" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
115
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC115" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">20</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="114" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
114
</td>
<td class="diff-line-num new_line" data-linenumber="116" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
116
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC116" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">6</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="115" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
115
</td>
<td class="diff-line-num new_line" data-linenumber="117" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
117
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC117" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">3</span><span class="p">,</span><span class="n" style="color: #333;">Aalt</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="116" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
116
</td>
<td class="diff-line-num new_line old" data-linenumber="118" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC116" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">9000</span><span class="p"><span class="idiff left">),</span></span><span class="n" style="color: #333;"><span class="idiff">Ach</span></span><span class="p"><span class="idiff">(</span></span><span class="mi" style="color: #099;"><span class="idiff">2</span></span><span class="p"><span class="idiff">,</span></span><span class="mi" style="color: #099;"><span class="idiff right">9000</span>0</span><span class="p">),</span><span class="n" style="color: #333;">Aent</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="117" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="118" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
118
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC118" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">Aent</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="117" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
117
</td>
<td class="diff-line-num new_line" data-linenumber="119" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
119
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC119" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Cins</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">Cch</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="118" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
118
</td>
<td class="diff-line-num new_line old" data-linenumber="120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC118" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="119" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
120
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC120" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">2</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">chid</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="119" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
121
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC121" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="119" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
119
</td>
<td class="diff-line-num new_line" data-linenumber="122" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
122
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC122" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">integer</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatomi</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
120
</td>
<td class="diff-line-num new_line old" data-linenumber="123" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC120" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">dimension</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">iform</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">),</span><span class="n" style="color: #333;">xx</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">yy</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">zz</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="123" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
123
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC123" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">dimension</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">iform</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">),</span><span class="n" style="color: #333;">xx</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">yy</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">),</span><span class="n" style="color: #333;">zz</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;">90000</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="124" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
124
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC124" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">dimension</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">),</span><span class="n" style="color: #333;">nLCA</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
121
</td>
<td class="diff-line-num new_line" data-linenumber="125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
125
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC125" class="line" lang="fortran"><span class="n" style="color: #333;">ccc</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="122" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
122
</td>
<td class="diff-line-num new_line" data-linenumber="126" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
126
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC126" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="123" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
123
</td>
<td class="diff-line-num new_line" data-linenumber="127" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
127
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC127" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">dimension</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">m1</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">m2</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">nmax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="179" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="183" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -179,20 +183,25 @@ ccc</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="179" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
179
</td>
<td class="diff-line-num new_line" data-linenumber="183" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
183
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC183" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">'</span><span class="se" style="color: #d14;">''</span><span class="s1" style="color: #d14;">TM.sup_all</span><span class="se" style="color: #d14;">''</span><span class="s1" style="color: #d14;"> and </span><span class="se" style="color: #d14;">''</span><span class="s1" style="color: #d14;">TM.sup_atm</span><span class="se" style="color: #d14;">''</span><span class="s1" style="color: #d14;">:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="180" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
180
</td>
<td class="diff-line-num new_line" data-linenumber="184" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
184
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC184" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >TMalign chain_1.pdb chain_2.pdb -o TM.sup'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="181" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
181
</td>
<td class="diff-line-num new_line" data-linenumber="185" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
185
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC185" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed C-alpha traces of'</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="182" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
182
</td>
<td class="diff-line-num new_line old" data-linenumber="186" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC182" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">' aligned regions by rasmol:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="183" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="186" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
186
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC186" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">' aligned regions by rasmol<span class="idiff left right"> or pymol</span>:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="183" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
183
</td>
<td class="diff-line-num new_line" data-linenumber="187" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
187
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC187" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >rasmol -script TM.sup'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="184" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="188" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
188
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC188" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >pymol -d @TM.sup.pml'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="184" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
184
</td>
<td class="diff-line-num new_line" data-linenumber="189" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
189
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC189" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed C-alpha traces of'</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="185" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
185
</td>
<td class="diff-line-num new_line" data-linenumber="190" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
190
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC190" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">' all regions:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="186" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
186
</td>
<td class="diff-line-num new_line" data-linenumber="191" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
191
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC191" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >rasmol -script TM.sup_all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="187" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="192" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
192
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC192" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >pymol -d @TM.sup_all.pml'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="187" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
187
</td>
<td class="diff-line-num new_line" data-linenumber="193" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
193
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC193" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed full-atom structures of'</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="188" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
188
</td>
<td class="diff-line-num new_line" data-linenumber="194" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
194
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC194" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">' aligned regions:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="189" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
189
</td>
<td class="diff-line-num new_line" data-linenumber="195" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
195
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC195" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >rasmol -script TM.sup_atm'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="190" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="196" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
196
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC196" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >pymol -d @TM.sup_atm.pml'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="190" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
190
</td>
<td class="diff-line-num new_line" data-linenumber="197" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
197
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC197" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed full-atom structures of'</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="191" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
191
</td>
<td class="diff-line-num new_line" data-linenumber="198" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
198
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC198" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">' all regions:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="192" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
192
</td>
<td class="diff-line-num new_line" data-linenumber="199" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
199
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC199" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >rasmol -script TM.sup_all_atm'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="193" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="200" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
200
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC200" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >pymol -d @TM.sup_all_atm.pml'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="193" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
193
</td>
<td class="diff-line-num new_line" data-linenumber="201" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
201
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC201" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed full-atom structures of'</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="194" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
194
</td>
<td class="diff-line-num new_line" data-linenumber="202" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
202
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC202" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">' all regions with ligands:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="195" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
195
</td>
<td class="diff-line-num new_line" data-linenumber="203" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
203
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC203" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >rasmol -script TM.sup_all_atm_lig'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="196" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="204" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
204
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC204" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >pymol -d @TM.sup_all_atm_lig.pml'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="196" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
196
</td>
<td class="diff-line-num new_line" data-linenumber="205" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
205
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC205" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="197" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
197
</td>
<td class="diff-line-num new_line" data-linenumber="206" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
206
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC206" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">'4. There are two TM-scores reported. You '</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="198" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
198
</td>
<td class="diff-line-num new_line" data-linenumber="207" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
207
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC207" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">'should use the one normalized by'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="214" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="223" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -214,7 +223,7 @@ ccc</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="214" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
214
</td>
<td class="diff-line-num new_line" data-linenumber="223" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
223
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC223" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">9999</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="215" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
215
</td>
<td class="diff-line-num new_line" data-linenumber="224" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
224
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC224" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="216" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
216
</td>
<td class="diff-line-num new_line" data-linenumber="225" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
225
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC225" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="217" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
217
</td>
<td class="diff-line-num new_line old" data-linenumber="226" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC217" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">version</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'20190<span class="idiff left right">708</span>'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="218" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="226" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
226
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC226" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">version</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'20190<span class="idiff left right">822</span>'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="218" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
218
</td>
<td class="diff-line-num new_line" data-linenumber="227" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
227
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC227" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">fnam</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'-v'</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="219" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
219
</td>
<td class="diff-line-num new_line" data-linenumber="228" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
228
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC228" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">'TM-align Version '</span><span class="p">,</span><span class="n" style="color: #333;">version</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="220" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
220
</td>
<td class="diff-line-num new_line" data-linenumber="229" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
229
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC229" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">9999</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="333" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="342" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -333,8 +342,8 @@ ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="333" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
333
</td>
<td class="diff-line-num new_line" data-linenumber="342" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
342
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC342" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^</span><span class="n" style="color: #333;">altLoc</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">checked</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">mk</span><span class="ow" style="font-weight: 600;">.ne.</span><span class="mi" style="color: #099;">1</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">will</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">be</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">skipped</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="334" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
334
</td>
<td class="diff-line-num new_line" data-linenumber="343" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
343
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC343" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">mk</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!mk=1 ------------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="335" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
335
</td>
<td class="diff-line-num new_line" data-linenumber="344" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
344
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC344" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">+1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="336" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
336
</td>
<td class="diff-line-num new_line old" data-linenumber="345" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC336" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">s</span><span class="p">,</span><span class="s1" style="color: #d14;">'(a6,I5,a6,A3,A<span class="idiff left right">2</span>,i4,A1,a3,3F8.3)'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="337" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
337
</td>
<td class="diff-line-num new_line old" data-linenumber="345" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC337" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">itmp</span><span class="p">,</span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">aanam</span><span class="p">,</span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">mm</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="338" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="345" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
345
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC345" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">s</span><span class="p">,</span><span class="s1" style="color: #d14;">'(a6,I5,a6,A3,A<span class="idiff left right">1,A1</span>,i4,A1,a3,3F8.3)'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="338" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="346" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
346
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC346" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">itmp</span><span class="p">,</span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">aanam</span><span class="p">,</span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;"><span class="idiff left">chid</span></span><span class="p"><span class="idiff">(</span></span><span class="n" style="color: #333;"><span class="idiff">ic</span></span><span class="p"><span class="idiff">,</span></span><span class="n" style="color: #333;"><span class="idiff">i</span></span><span class="p"><span class="idiff right">),</span></span><span class="n" style="color: #333;">mm</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="338" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
338
</td>
<td class="diff-line-num new_line" data-linenumber="347" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
347
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC347" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Cins</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">du</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="339" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
339
</td>
<td class="diff-line-num new_line" data-linenumber="348" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
348
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC348" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xa</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">ic</span><span class="mi" style="color: #099;">-1</span><span class="p">),</span><span class="n" style="color: #333;">xa</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">ic</span><span class="mi" style="color: #099;">-1</span><span class="p">),</span><span class="n" style="color: #333;">xa</span><span class="p">(</span><span class="mi" style="color: #099;">3</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">ic</span><span class="mi" style="color: #099;">-1</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="340" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
340
</td>
<td class="diff-line-num new_line" data-linenumber="349" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
349
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC349" class="line" lang="fortran"><span class="o" style="font-weight: 600;">***</span><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="363" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="372" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -363,8 +372,10 @@ c^^^^^^^^^altLoc checked (mk.ne.1 will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="363" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
363
</td>
<td class="diff-line-num new_line" data-linenumber="372" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
372
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC372" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_alt_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_alt</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'.',A,B</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="364" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
364
</td>
<td class="diff-line-num new_line" data-linenumber="373" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
373
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC373" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_comp_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_res</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!GLY,LEU</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="365" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
365
</td>
<td class="diff-line-num new_line" data-linenumber="374" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
374
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC374" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="366" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="375" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
375
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC375" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B, using later one</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="366" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
366
</td>
<td class="diff-line-num new_line" data-linenumber="376" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
376
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC376" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_entity_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ent</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,a,b</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="367" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
367
</td>
<td class="diff-line-num new_line" data-linenumber="377" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
377
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC377" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="368" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="378" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
378
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC378" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3, identical to PDB res</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="368" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
368
</td>
<td class="diff-line-num new_line" data-linenumber="379" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
379
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC379" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.pdbx_PDB_ins_code'</span><span class="p">)</span><span class="n" style="color: #333;">i_ins</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,?</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="369" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
369
</td>
<td class="diff-line-num new_line" data-linenumber="380" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
380
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC380" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_x'</span><span class="p">)</span><span class="n" style="color: #333;">i_x</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!x, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="370" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
370
</td>
<td class="diff-line-num new_line" data-linenumber="381" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
381
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC381" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_y'</span><span class="p">)</span><span class="n" style="color: #333;">i_y</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!y, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="410" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="421" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -410,6 +421,7 @@ c^^^^^^^^^altLoc checked (mk.ne.1 will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="410" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
410
</td>
<td class="diff-line-num new_line" data-linenumber="421" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
421
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC421" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">ss</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_res</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!residue name, 'GLY', for seq_ID</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="411" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
411
</td>
<td class="diff-line-num new_line" data-linenumber="422" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
422
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC422" class="line" lang="fortran"><span class="o" style="font-weight: 600;">***</span><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="412" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
412
</td>
<td class="diff-line-num new_line" data-linenumber="423" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
423
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC423" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i8</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">mm</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="413" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="424" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
424
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC424" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">chid</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">ch</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="413" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
413
</td>
<td class="diff-line-num new_line" data-linenumber="425" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
425
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC425" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nres1</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i8</span><span class="p">,</span><span class="nb" style="color: #0086b3;">ichar</span><span class="p">(</span><span class="n" style="color: #333;">du1</span><span class="p">))</span><span class="o" style="font-weight: 600;">=</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="414" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
414
</td>
<td class="diff-line-num new_line" data-linenumber="426" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
426
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC426" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nres1</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i8</span><span class="p">,</span><span class="nb" style="color: #0086b3;">ichar</span><span class="p">(</span><span class="n" style="color: #333;">du1</span><span class="p">))</span><span class="mi" style="color: #099;">+1</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!nres1 only for check altLoc</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="415" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
415
</td>
<td class="diff-line-num new_line" data-linenumber="427" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
427
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC427" class="line" lang="fortran"><span class="o" style="font-weight: 600;">***</span><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="802" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="814" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -802,6 +814,7 @@ c************* Step-1: read all-atom structures ******************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="802" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
802
</td>
<td class="diff-line-num new_line" data-linenumber="814" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
814
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC814" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">*****************************************************************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="803" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
803
</td>
<td class="diff-line-num new_line" data-linenumber="815" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
815
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC815" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1002</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">ic</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="mi" style="color: #099;">2</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!ic=1,2 for file1 and file2</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="804" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
804
</td>
<td class="diff-line-num new_line" data-linenumber="816" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
816
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC816" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">0</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!number of lines in PDB file</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="805" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="817" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
817
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC817" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nLCA</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">0</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!number of lines with CA in PDB file</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="805" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
805
</td>
<td class="diff-line-num new_line" data-linenumber="818" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
818
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC818" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">0</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!end of first chain, decide to show aaa_all_atm_lig</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="806" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
806
</td>
<td class="diff-line-num new_line" data-linenumber="819" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
819
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC819" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">open</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">pdb</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">),</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'old'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="807" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
807
</td>
<td class="diff-line-num new_line" data-linenumber="820" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
820
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC820" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">iform</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!file in PDB format %%%%%%%%%%-------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="845" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="858" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -845,7 +858,8 @@ c^^^^^^^^^altLoc checked (mk.ne.1) will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="845" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
845
</td>
<td class="diff-line-num new_line" data-linenumber="858" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
858
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC858" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="846" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
846
</td>
<td class="diff-line-num new_line" data-linenumber="859" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
859
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC859" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">mk</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!mk=1---------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="847" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
847
</td>
<td class="diff-line-num new_line" data-linenumber="860" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
860
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC860" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="mi" style="color: #099;">+1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="848" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
848
</td>
<td class="diff-line-num new_line old" data-linenumber="861" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC848" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">s</span><span class="p">,</span><span class="mi" style="color: #099;">8999</span><span class="p">)</span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span><span class="n" style="color: #333;">Aatomi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="849" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="861" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
861
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC861" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">s</span><span class="p">,</span><span class="s1" style="color: #d14;">'(a6,I5,a1,A4,a1,A3,a1,A1,I4,A1,a3,3F8.3)'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="849" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="862" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
862
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC862" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span><span class="n" style="color: #333;">Aatomi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="849" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
849
</td>
<td class="diff-line-num new_line" data-linenumber="863" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
863
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC863" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span><span class="n" style="color: #333;">Aalt</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="850" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
850
</td>
<td class="diff-line-num new_line" data-linenumber="864" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
864
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC864" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span><span class="n" style="color: #333;">du</span><span class="p">,</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="851" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
851
</td>
<td class="diff-line-num new_line" data-linenumber="865" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
865
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC865" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)),</span><span class="n" style="color: #333;">du</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="883" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="897" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -883,8 +897,10 @@ c read(Aatom(ic,nL(ic)),*)Aatom(ic,nL(ic)) !remove space bef</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="883" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
883
</td>
<td class="diff-line-num new_line" data-linenumber="897" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
897
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC897" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="884" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
884
</td>
<td class="diff-line-num new_line" data-linenumber="898" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
898
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC898" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_comp_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_res</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!GLY,LEU</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="885" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
885
</td>
<td class="diff-line-num new_line" data-linenumber="899" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
899
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC899" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="886" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="900" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
900
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC900" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B, using later one</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="886" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
886
</td>
<td class="diff-line-num new_line" data-linenumber="901" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
901
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC901" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_entity_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ent</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,a,b</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="887" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
887
</td>
<td class="diff-line-num new_line" data-linenumber="902" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
902
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC902" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="888" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="903" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
903
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC903" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3, identical to PDB res</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="888" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
888
</td>
<td class="diff-line-num new_line" data-linenumber="904" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
904
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC904" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.pdbx_PDB_ins_code'</span><span class="p">)</span><span class="n" style="color: #333;">i_ins</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,?</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="889" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
889
</td>
<td class="diff-line-num new_line" data-linenumber="905" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
905
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC905" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="890" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
890
</td>
<td class="diff-line-num new_line" data-linenumber="906" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
906
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC906" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_x'</span><span class="p">)</span><span class="n" style="color: #333;">i_x</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!x, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="902" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="918" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -902,7 +918,8 @@ c read(Aatom(ic,nL(ic)),*)Aatom(ic,nL(ic)) !remove space bef</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="902" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
902
</td>
<td class="diff-line-num new_line" data-linenumber="918" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
918
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC918" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="903" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
903
</td>
<td class="diff-line-num new_line" data-linenumber="919" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
919
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC919" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="904" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
904
</td>
<td class="diff-line-num new_line" data-linenumber="920" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
920
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC920" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="905" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
905
</td>
<td class="diff-line-num new_line old" data-linenumber="921" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC905" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mf" style="color: #099;">0.</span><span class="n" style="color: #333;">and</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.gt.</span><span class="mi" style="color: #099;">0</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!decide n_cut</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="906" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="921" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
921
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC921" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mf" style="color: #099;">0.</span><span class="n" style="color: #333;">and</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.gt.</span><span class="mf" style="color: #099;">0.</span><span class="n" style="color: #333;">and</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="906" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="922" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
922
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC922" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nLCA</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.gt.</span><span class="mi" style="color: #099;">0</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!decide n_cut for mmcif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="906" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
906
</td>
<td class="diff-line-num new_line" data-linenumber="923" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
923
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC923" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_ch</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">ch_t</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="907" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
907
</td>
<td class="diff-line-num new_line" data-linenumber="924" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
924
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC924" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_ent</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">ent_t</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="908" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
908
</td>
<td class="diff-line-num new_line" data-linenumber="925" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
925
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC925" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ch_t</span><span class="ow" style="font-weight: 600;">.ne.</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="ow" style="font-weight: 600;">.or.</span><span class="n" style="color: #333;">ent_t</span><span class="ow" style="font-weight: 600;">.ne.</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="937" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="954" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -937,6 +954,9 @@ c^^^^^^^^^altLoc checked (mk.ne.1) will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="937" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
937
</td>
<td class="diff-line-num new_line" data-linenumber="954" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
954
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC954" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="938" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
938
</td>
<td class="diff-line-num new_line" data-linenumber="955" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
955
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC955" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_alt</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">Aalt</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">! not used, because we alway use 1 atom for altLoc</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="939" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
939
</td>
<td class="diff-line-num new_line" data-linenumber="956" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
956
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC956" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Aalt</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'.'</span><span class="p">)</span><span class="n" style="color: #333;">Aalt</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">' '</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="940" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="957" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
957
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC957" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">' CA'</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="940" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="958" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
958
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC958" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">nLCA</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">nLCA</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="mi" style="color: #099;">+1</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for deciding n_cut of mmCIF</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="940" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="959" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
959
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC959" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="940" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
940
</td>
<td class="diff-line-num new_line" data-linenumber="960" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
960
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC960" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="941" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
941
</td>
<td class="diff-line-num new_line" data-linenumber="961" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
961
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC961" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_res</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="942" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
942
</td>
<td class="diff-line-num new_line" data-linenumber="962" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
962
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC962" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_ch</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for check other chain</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="968" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="988" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -968,8 +988,6 @@ c if(Aalt(ic,nL(ic)).eq.'.')Aalt(ic,nL(ic))=' '</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="968" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
968
</td>
<td class="diff-line-num new_line" data-linenumber="988" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
988
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC988" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="969" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
969
</td>
<td class="diff-line-num new_line" data-linenumber="989" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
989
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC989" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1002</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">continue</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!ic=1,2 for file1 and file2</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="970" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
970
</td>
<td class="diff-line-num new_line" data-linenumber="990" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
990
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC990" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="971" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
971
</td>
<td class="diff-line-num new_line old" data-linenumber="991" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC971" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">8999</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="l">a6</span><span class="p">,</span><span class="l">I5</span><span class="p">,</span><span class="l">a1</span><span class="p">,</span><span class="l">A4</span><span class="p">,</span><span class="l">a1</span><span class="p">,</span><span class="l">A3</span><span class="p">,</span><span class="l">a1</span><span class="p">,</span><span class="l">A1</span><span class="p">,</span><span class="l">I4</span><span class="p">,</span><span class="l">A1</span><span class="p">,</span><span class="l">a3</span><span class="p">,</span><span class="l">3F8.3</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="972" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
972
</td>
<td class="diff-line-num new_line old" data-linenumber="991" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC972" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="973" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
973
</td>
<td class="diff-line-num new_line" data-linenumber="991" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
991
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC991" class="line" lang="fortran"><span class="o" style="font-weight: 600;">**********</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mark</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">aligned</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">residues</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">---------------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="974" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
974
</td>
<td class="diff-line-num new_line" data-linenumber="992" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
992
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC992" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">n8_al</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="975" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
975
</td>
<td class="diff-line-num new_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
993
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC993" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">m1</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="983" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1001" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -983,15 +1001,29 @@ c*********************************************************************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="983" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
983
</td>
<td class="diff-line-num new_line" data-linenumber="1001" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1001
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1001" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">*************</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Step</span><span class="mi" style="color: #099;">-2</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">structures</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">for</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Rasmol</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">******************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="984" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
984
</td>
<td class="diff-line-num new_line" data-linenumber="1002" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1002
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1002" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">*********************************************************************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="985" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
985
</td>
<td class="diff-line-num new_line" data-linenumber="1003" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1003
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1003" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1019</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">ip</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="mi" style="color: #099;">5</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="986" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
986
</td>
<td class="diff-line-num new_line old" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC986" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">outnameall</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa', aligned CA</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="987" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
987
</td>
<td class="diff-line-num new_line old" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC987" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">2</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">outnameall</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'_all'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all', all CA</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="988" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
988
</td>
<td class="diff-line-num new_line old" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC988" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">3</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">outnameall</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'_atm'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_atm', all aligned atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="989" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
989
</td>
<td class="diff-line-num new_line old" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC989" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">4</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">outnameall</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="990" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
990
</td>
<td class="diff-line-num new_line old" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC990" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="p">//</span><span class="s1" style="color: #d14;">'_all_atm'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm', all atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="991" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
991
</td>
<td class="diff-line-num new_line old" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC991" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">outnameall</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="992" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
992
</td>
<td class="diff-line-num new_line old" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC992" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="p">//</span><span class="s1" style="color: #d14;">'_all_atm_lig'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm_lig', all atom + ligand</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1004" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1004
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1004" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa', aligned CA</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1005" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1005
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1005" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">2</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'_all'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all', all CA</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1006" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1006
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1006" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">3</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'_atm'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_atm', all aligned atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1007" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1007
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1007" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">4</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'_all_atm'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm', all atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1008" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1008
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1008" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'_all_atm_lig'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm_lig', atom+ligand</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1009" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1009
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1009" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1010" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1010
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1010" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1011" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1011
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1011" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*************</span><span class="n" style="color: #333;">for</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">preset</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1012" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1012
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1012" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx_p</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">xxx</span><span class="p">))//</span><span class="s1" style="color: #d14;">'.pml'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for pymol script</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1013" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1013
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1013" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx_pdb</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">xxx</span><span class="p">))//</span><span class="s1" style="color: #d14;">'.pdb'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for pymol pdb</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1014" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1014
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1014" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx_p</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1015" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1015
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1015" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1016" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1016
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1016" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1017" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1017
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1017" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A,A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'load '</span><span class="p">,</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">))</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1018" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1018
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1018" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'hide all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1019" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1019
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1019" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'bg_color white'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1020" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1020
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1020" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'color blue, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1021" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1021
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1021" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'color red, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1022" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1022
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1022" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'set transparency=0.2'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1023" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1023
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1023" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'set sphere_scale, 0.25'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1024" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1024
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1024" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'set stick_radius, 0.3'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1025" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1025
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1025" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">preset</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">complete</span><span class="w" style="color: #bbb;"> </span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^^^^^^^^^^^</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="993" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
993
</td>
<td class="diff-line-num new_line" data-linenumber="1026" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1026
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1026" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="994" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
994
</td>
<td class="diff-line-num new_line old" data-linenumber="1027" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC994" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outnameall</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="995" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
995
</td>
<td class="diff-line-num new_line" data-linenumber="1027" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1027
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1027" class="line" lang="fortran"><span class="o" style="font-weight: 600;">***</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">script</span><span class="p">:</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="996" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
996
</td>
<td class="diff-line-num new_line" data-linenumber="1028" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1028
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1028" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mf" style="color: #099;">1.</span><span class="n" style="color: #333;">or</span><span class="ow" style="font-weight: 600;">.ip.</span><span class="n" style="color: #333;">eq</span><span class="mf" style="color: #099;">.2</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa','aaa_all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="997" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
997
</td>
<td class="diff-line-num new_line" data-linenumber="1029" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1029
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1029" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'load inline'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1010" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1042" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1010,6 +1042,9 @@ c*********************************************************************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1010" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1010
</td>
<td class="diff-line-num new_line" data-linenumber="1042" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1042
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1042" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1011" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1011
</td>
<td class="diff-line-num new_line" data-linenumber="1043" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1043
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1043" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1012" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1012
</td>
<td class="diff-line-num new_line" data-linenumber="1044" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1044
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1044" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'select all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1013" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1045" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1045
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1045" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1013" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1046" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1046
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1046" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show sticks, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1013" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1047" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1047
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1047" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show sticks, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1013" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1013
</td>
<td class="diff-line-num new_line" data-linenumber="1048" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1048
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1048" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">elseif</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mf" style="color: #099;">3.</span><span class="n" style="color: #333;">or</span><span class="ow" style="font-weight: 600;">.ip.</span><span class="n" style="color: #333;">eq</span><span class="mf" style="color: #099;">.4</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_atm', 'aaa_all_atm'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1014" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1014
</td>
<td class="diff-line-num new_line" data-linenumber="1049" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1049
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1049" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'load inline'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1015" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1015
</td>
<td class="diff-line-num new_line" data-linenumber="1050" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1050
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1050" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'select *A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1018" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1053" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1018,6 +1053,9 @@ c*********************************************************************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1018" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1018
</td>
<td class="diff-line-num new_line" data-linenumber="1053" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1053
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1053" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'color red'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1019" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1019
</td>
<td class="diff-line-num new_line" data-linenumber="1054" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1054
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1054" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'select all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1020" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1020
</td>
<td class="diff-line-num new_line" data-linenumber="1055" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1055
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1055" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'cartoon'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1021" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1056" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1056
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1056" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1021" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1057" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1057
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1057" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show cartoon, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1021" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1058" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1058
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1058" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show cartoon, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1021" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1021
</td>
<td class="diff-line-num new_line" data-linenumber="1059" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1059
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1059" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">else</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm_lig</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1022" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1022
</td>
<td class="diff-line-num new_line" data-linenumber="1060" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1060
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1060" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'load inline'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1023" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1023
</td>
<td class="diff-line-num new_line" data-linenumber="1061" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1061
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1061" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'select all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1031" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1069" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1031,6 +1069,11 @@ c*********************************************************************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1031" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1031
</td>
<td class="diff-line-num new_line" data-linenumber="1069" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1069
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1069" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'select solvent'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1032" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1032
</td>
<td class="diff-line-num new_line" data-linenumber="1070" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1070
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1070" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'spacefill 0.25'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1033" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1033
</td>
<td class="diff-line-num new_line" data-linenumber="1071" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1071
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1071" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'select all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1072" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1072
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1072" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1073" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1073
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1073" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show cartoon, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1074" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1074
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1074" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show cartoon, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1075" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1075
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1075" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show stick, HETATM'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1076" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1076
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1076" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show spheres, solvent'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1034
</td>
<td class="diff-line-num new_line" data-linenumber="1077" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1077
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1077" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1035" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1035
</td>
<td class="diff-line-num new_line" data-linenumber="1078" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1078
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1078" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'exit'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1036" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1036
</td>
<td class="diff-line-num new_line" data-linenumber="1079" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1079
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1079" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="mi" style="color: #099;">903</span><span class="p">)</span><span class="n" style="color: #333;">version</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1045" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1045,11 +1088,11 @@ c------------output coordinates -----------></td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1045" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1045
</td>
<td class="diff-line-num new_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1088
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1088" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">else</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!na=5001-10000</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1046" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1046
</td>
<td class="diff-line-num new_line" data-linenumber="1089" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1089
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1089" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">na</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">5000</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for CONECT</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1047" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1047
</td>
<td class="diff-line-num new_line" data-linenumber="1090" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1090
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1090" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1048" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1048
</td>
<td class="diff-line-num new_line old" data-linenumber="1091" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1048" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">'ip='</span><span class="p">,</span><span class="n" style="color: #333;">ip</span><span class="p">,</span><span class="s1" style="color: #d14;">'ic='</span><span class="p">,</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1049" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1049
</td>
<td class="diff-line-num new_line old" data-linenumber="1091" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1049" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1050" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1091" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1091
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1091" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1050" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1050
</td>
<td class="diff-line-num new_line" data-linenumber="1092" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1092
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1092" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">0</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1051" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1051
</td>
<td class="diff-line-num new_line" data-linenumber="1093" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1093
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1093" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!there is no cut</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1052" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1052
</td>
<td class="diff-line-num new_line" data-linenumber="1094" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1094
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1094" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1053" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1095" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1095
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1095" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1053" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1053
</td>
<td class="diff-line-num new_line" data-linenumber="1096" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1096
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1096" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1054" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1054
</td>
<td class="diff-line-num new_line" data-linenumber="1097" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1097
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1097" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">----------</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">decide</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">we</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">should</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">this</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">line</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">------------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1055" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1055
</td>
<td class="diff-line-num new_line" data-linenumber="1098" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1098
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1098" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">0</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1057" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1100" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1057,8 +1100,8 @@ c---------- decide if we should output this line ------------></td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1057" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1057
</td>
<td class="diff-line-num new_line" data-linenumber="1100" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1100
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1100" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="ow" style="font-weight: 600;">.le.</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1058" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1058
</td>
<td class="diff-line-num new_line" data-linenumber="1101" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1101
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1101" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">' CA'</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1059" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1059
</td>
<td class="diff-line-num new_line" data-linenumber="1102" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1102
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1102" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">j</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">n8_al</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1060" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1060
</td>
<td class="diff-line-num new_line old" data-linenumber="1103" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1060" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">mm</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1061" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1061
</td>
<td class="diff-line-num new_line old" data-linenumber="1103" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1061" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">Cins</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1062" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1103" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1103
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1103" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">mm</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"><span class="idiff left"> </span></span><span class="c1" style="color: #998; font-style: italic;"><span class="idiff right">!residue order</span></span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1062" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1104" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1104
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1104" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">Cins</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"><span class="idiff left"> </span></span><span class="c1" style="color: #998; font-style: italic;"><span class="idiff right">!residue insertion</span></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1062" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1062
</td>
<td class="diff-line-num new_line" data-linenumber="1105" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1105
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1105" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1063" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1063
</td>
<td class="diff-line-num new_line" data-linenumber="1106" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1106
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1106" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">120</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!each line output once</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1064" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1064
</td>
<td class="diff-line-num new_line" data-linenumber="1107" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1107
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1107" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1072" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1115" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1072,28 +1115,33 @@ c---------- decide if we should output this line ------------></td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1072" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1072
</td>
<td class="diff-line-num new_line" data-linenumber="1115" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1115
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1115" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1073" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1073
</td>
<td class="diff-line-num new_line" data-linenumber="1116" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1116
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1116" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1074" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1074
</td>
<td class="diff-line-num new_line" data-linenumber="1117" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1117
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1117" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1075" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1075
</td>
<td class="diff-line-num new_line old" data-linenumber="1118" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1075" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">elseif</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">3</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_atm', all aligned atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1076" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1118" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1118
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1118" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">elseif</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">3</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_atm', all aligned <span class="idiff left right">protein </span>atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1076" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1076
</td>
<td class="diff-line-num new_line" data-linenumber="1119" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1119
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1119" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="ow" style="font-weight: 600;">.le.</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1077" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1077
</td>
<td class="diff-line-num new_line" data-linenumber="1120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1120
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1120" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">j</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">n8_al</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1078" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1078
</td>
<td class="diff-line-num new_line old" data-linenumber="1121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1078" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">mm</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1079" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1079
</td>
<td class="diff-line-num new_line old" data-linenumber="1121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1079" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">Cins</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1080" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1080
</td>
<td class="diff-line-num new_line old" data-linenumber="1121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1080" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1081" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1081
</td>
<td class="diff-line-num new_line old" data-linenumber="1121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1081" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">120</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!each line output once</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1082" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1121
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1121" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">chid</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">! residue order (e.g. 100)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1082" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1122" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1122
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1122" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">mm</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">! residue order (e.g. 100)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1082" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1123" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1123
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1123" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">Cins</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">m12</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">j</span><span class="p">)))</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!resi insertion (eg, A)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1082" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1124" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1124
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1124" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1082" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1125
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1125" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">120</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!each line output once</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1082" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1126" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1126
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1126" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1082" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1082
</td>
<td class="diff-line-num new_line" data-linenumber="1127" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1127
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1127" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1083" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1083
</td>
<td class="diff-line-num new_line" data-linenumber="1128" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1128
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1128" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1084" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1084
</td>
<td class="diff-line-num new_line" data-linenumber="1129" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1129
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1129" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1085" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1085
</td>
<td class="diff-line-num new_line" data-linenumber="1130" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1130
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1130" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1086" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1086
</td>
<td class="diff-line-num new_line old" data-linenumber="1131" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1086" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">elseif</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">4</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm', all atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1087" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1087
</td>
<td class="diff-line-num new_line old" data-linenumber="1131" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1087" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="ow" style="font-weight: 600;">.le.</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1131" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1131
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1131" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">elseif</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">4</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm', all protein atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1132" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1132
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1132" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="n" style="color: #333;">chid</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="mi" style="color: #099;">1</span><span class="p">))</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">! residue order (e.g. 100)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1133" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1133
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1133" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="ow" style="font-weight: 600;">.le.</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">))</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1134" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1134
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1134" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1135" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1135
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1135" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1136" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1136
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1136" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1137" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1137
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1137" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">elseif</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm_lig', first chain and all ligands</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1138" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1138
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1138" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="ow" style="font-weight: 600;">.le.</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.or.</span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'HETATM'</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1088" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1088
</td>
<td class="diff-line-num new_line" data-linenumber="1139" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1139
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1139" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1089" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1089
</td>
<td class="diff-line-num new_line" data-linenumber="1140" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1140
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1140" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1090" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1090
</td>
<td class="diff-line-num new_line old" data-linenumber="1141" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1090" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">elseif</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">5</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'aaa_all_atm_lig', all atoms and ligands</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1091" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1091
</td>
<td class="diff-line-num new_line old" data-linenumber="1141" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1091" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mk</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1092" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1092
</td>
<td class="diff-line-num new_line" data-linenumber="1141" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1141
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1141" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1093" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1093
</td>
<td class="diff-line-num new_line" data-linenumber="1142" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1142
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1142" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">120</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">continue</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1094" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1094
</td>
<td class="diff-line-num new_line" data-linenumber="1143" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1143
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1143" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1095" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1095
</td>
<td class="diff-line-num new_line" data-linenumber="1144" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1144
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1144" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^^</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1096" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1096
</td>
<td class="diff-line-num new_line old" data-linenumber="1145" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1096" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">ip</span><span class="p">,</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="s1" style="color: #d14;">'mk='</span><span class="p">,</span><span class="n" style="color: #333;">mk</span><span class="p">,</span><span class="n" style="color: #333;">n_cut</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1097" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1097
</td>
<td class="diff-line-num new_line" data-linenumber="1145" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1145
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1145" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">mk</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!mk=1-----------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1098" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1098
</td>
<td class="diff-line-num new_line" data-linenumber="1146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1146
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1146" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1099" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1099
</td>
<td class="diff-line-num new_line" data-linenumber="1147" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1147
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1147" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">ax</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">t</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">u</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="n" style="color: #333;">xx</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">u</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="mi" style="color: #099;">2</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="n" style="color: #333;">yy</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="o" style="font-weight: 600;">+</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1107" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1155" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1107,35 +1155,46 @@ c write(*,*)ip,ic,i,'mk=',mk,n_cut(ic)</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1107" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1107
</td>
<td class="diff-line-num new_line" data-linenumber="1155" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1155
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1155" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">ay</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">yy</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1108" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1108
</td>
<td class="diff-line-num new_line" data-linenumber="1156" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1156
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1156" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">az</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">zz</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1109" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1109
</td>
<td class="diff-line-num new_line" data-linenumber="1157" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1157
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1157" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1110" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1110
</td>
<td class="diff-line-num new_line old" data-linenumber="1158" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1110" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1111" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1158" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1158
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1158" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1111" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1111
</td>
<td class="diff-line-num new_line" data-linenumber="1159" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1159
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1159" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">--------------</span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">x</span><span class="p">,</span><span class="n" style="color: #333;">y</span><span class="p">,</span><span class="n" style="color: #333;">z</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">---------------------------------></span><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1112" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1112
</td>
<td class="diff-line-num new_line" data-linenumber="1160" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1160
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1160" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">na</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">na</span><span class="mi" style="color: #099;">+1</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!number of atoms for CONECT</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1113" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1113
</td>
<td class="diff-line-num new_line" data-linenumber="1161" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1161
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1161" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mf" style="color: #099;">1.</span><span class="n" style="color: #333;">or</span><span class="ow" style="font-weight: 600;">.ip.</span><span class="n" style="color: #333;">eq</span><span class="mf" style="color: #099;">.2</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!need CONECT</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1114" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1114
</td>
<td class="diff-line-num new_line" data-linenumber="1162" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1162
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1162" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">na</span><span class="p">,</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1115" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1115
</td>
<td class="diff-line-num new_line" data-linenumber="1163" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1163
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1163" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Cch</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1116" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1164" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1164
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1164" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">ax</span><span class="p">,</span><span class="n" style="color: #333;">ay</span><span class="p">,</span><span class="n" style="color: #333;">az</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1116" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1165" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1165
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1165" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">na</span><span class="p">,</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1116" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1166" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1166
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1166" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Cch</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1116" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1116
</td>
<td class="diff-line-num new_line" data-linenumber="1167" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1167
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1167" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">ax</span><span class="p">,</span><span class="n" style="color: #333;">ay</span><span class="p">,</span><span class="n" style="color: #333;">az</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1117" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1117
</td>
<td class="diff-line-num new_line" data-linenumber="1168" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1168
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1168" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">else</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!all atoms</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1118" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1118
</td>
<td class="diff-line-num new_line" data-linenumber="1169" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1169
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1169" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Aatomi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1119" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1119
</td>
<td class="diff-line-num new_line" data-linenumber="1170" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1170
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1170" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Cch</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1171" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1171
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1171" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">ax</span><span class="p">,</span><span class="n" style="color: #333;">ay</span><span class="p">,</span><span class="n" style="color: #333;">az</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1172" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1172
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1172" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Aatomi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1173" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1173
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1173" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">Cch</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1120" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1120
</td>
<td class="diff-line-num new_line" data-linenumber="1174" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1174
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1174" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">''</span><span class="p">,</span><span class="n" style="color: #333;">ax</span><span class="p">,</span><span class="n" style="color: #333;">ay</span><span class="p">,</span><span class="n" style="color: #333;">az</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1121" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1121
</td>
<td class="diff-line-num new_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1175
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1175" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1122" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1122
</td>
<td class="diff-line-num new_line" data-linenumber="1176" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1176
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1176" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!<----mk=1</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1123" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1123
</td>
<td class="diff-line-num new_line" data-linenumber="1177" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1177
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1177" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!do i=1,nL(ic)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1124" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1124
</td>
<td class="diff-line-num new_line" data-linenumber="1178" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1178
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1178" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1125
</td>
<td class="diff-line-num new_line" data-linenumber="1179" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1179
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1179" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'TER'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!TER</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1126" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1180" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1180
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1180" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'TER'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!TER</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1126" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1126
</td>
<td class="diff-line-num new_line" data-linenumber="1181" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1181
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1181" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ip</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mf" style="color: #099;">1.</span><span class="n" style="color: #333;">or</span><span class="ow" style="font-weight: 600;">.ip.</span><span class="n" style="color: #333;">eq</span><span class="mf" style="color: #099;">.2</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1127" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1127
</td>
<td class="diff-line-num new_line" data-linenumber="1182" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1182
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1182" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ic</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1128" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1128
</td>
<td class="diff-line-num new_line" data-linenumber="1183" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1183
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1183" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">na</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1129" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1129
</td>
<td class="diff-line-num new_line" data-linenumber="1184" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1184
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1184" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A6,I5,I5)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'CONECT'</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!CONECT atom numbers</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1130" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1185" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1185
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1185" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A6,I5,I5)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'CONECT'</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!CONECT atom numbers</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1130" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1130
</td>
<td class="diff-line-num new_line" data-linenumber="1186" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1186
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1186" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1131" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1131
</td>
<td class="diff-line-num new_line" data-linenumber="1187" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1187
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1187" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">else</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1132" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1132
</td>
<td class="diff-line-num new_line" data-linenumber="1188" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1188
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1188" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">5002</span><span class="p">,</span><span class="n" style="color: #333;">na</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1133" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1133
</td>
<td class="diff-line-num new_line" data-linenumber="1189" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1189
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1189" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A6,I5,I5)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'CONECT'</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!CONECT atom numbers</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1134" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1190" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1190
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1190" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A6,I5,I5)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'CONECT'</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!CONECT atom numbers</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1134" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1134
</td>
<td class="diff-line-num new_line" data-linenumber="1191" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1191
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1191" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1135" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1135
</td>
<td class="diff-line-num new_line" data-linenumber="1192" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1192
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1192" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1136" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1136
</td>
<td class="diff-line-num new_line" data-linenumber="1193" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1193
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1193" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1137" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1137
</td>
<td class="diff-line-num new_line" data-linenumber="1194" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1194
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1194" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!do ic=1,2</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1138" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1138
</td>
<td class="diff-line-num new_line" data-linenumber="1195" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1195
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1195" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">10</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1139" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1196" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1196
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1196" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1139" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1197" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1197
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1197" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1139" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1139
</td>
<td class="diff-line-num new_line" data-linenumber="1198" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1198
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1198" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1019</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">continue</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!ip=1,5</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1140" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1140
</td>
<td class="diff-line-num new_line" data-linenumber="1199" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1199
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1199" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1141" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1141
</td>
<td class="diff-line-num new_line" data-linenumber="1200" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1200
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1200" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">902</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'select '</span><span class="p">,</span><span class="l">I4</span><span class="p">,</span><span class="s1" style="color: #d14;">':A,'</span><span class="p">,</span><span class="l">I4</span><span class="p">,</span><span class="s1" style="color: #d14;">':B'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
</table>
<br>
</li>
<li id="d6ac2b0eca571fbff25ca20da003fc30877fea2e">
<a href="https://salsa.debian.org/med-team/tm-align/commit/d52100bb71b9a16925519e546bba87e772ed8b4e#d6ac2b0eca571fbff25ca20da003fc30877fea2e"><strong>TMscore.cpp</strong></a>
The diff for this file was not included because it is too large.
<br>
</li>
<li id="886c688b634570864167587ea43f1c26b6014086">
<a href="https://salsa.debian.org/med-team/tm-align/commit/d52100bb71b9a16925519e546bba87e772ed8b4e#886c688b634570864167587ea43f1c26b6014086"><strong>TMscore.f</strong></a>
<hr>
<table class="code white" style="font-family: monospace; font-size: 90%;" bgcolor="#fff" width="100%" cellpadding="0" cellspacing="0">
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="40" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="40" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -40,6 +40,8 @@</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="40" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
40
</td>
<td class="diff-line-num new_line" data-linenumber="40" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
40
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC40" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">the</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">files</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="41" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
41
</td>
<td class="diff-line-num new_line" data-linenumber="41" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
41
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC41" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2019</span><span class="p">/</span><span class="mi" style="color: #099;">07</span><span class="p">/</span><span class="mi" style="color: #099;">08</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Enabled</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">TM</span><span class="o" style="font-weight: 600;">-</span><span class="n" style="color: #333;">score</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">to</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">support</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">both</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">PDB</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">and</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mmCIF</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">formats</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="42" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
42
</td>
<td class="diff-line-num new_line" data-linenumber="42" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
42
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC42" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">and</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">updated</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">structure</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">reading</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">which</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">makes</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">program</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">faster</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="43" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="43" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
43
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC43" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2019</span><span class="p">/</span><span class="mi" style="color: #099;">08</span><span class="p">/</span><span class="mi" style="color: #099;">18</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Fixed</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">multiple</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">bugs</span><span class="w" style="color: #bbb;"> </span><span class="nb" style="color: #0086b3;">associated</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">with</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">mmCIF</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">formats</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="43" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="44" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
44
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC44" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2019</span><span class="p">/</span><span class="mi" style="color: #099;">08</span><span class="p">/</span><span class="mi" style="color: #099;">22</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">added</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">scripts</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">for</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="p">,</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">C</span><span class="o" style="font-weight: 600;">++</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">version</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">was</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">included</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">.</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="43" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
43
</td>
<td class="diff-line-num new_line" data-linenumber="45" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
45
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC45" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*************************************************************************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="44" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
44
</td>
<td class="diff-line-num new_line" data-linenumber="46" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
46
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC46" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="45" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
45
</td>
<td class="diff-line-num new_line" data-linenumber="47" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
47
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC47" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">2</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">3</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">4</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">5</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">6</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">7</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="56" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="58" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -56,7 +58,7 @@ c 3456789012345678901234567890123456789012345678901234567890123456789012345678</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="56" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
56
</td>
<td class="diff-line-num new_line" data-linenumber="58" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
58
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC58" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">common</span><span class="p">/</span><span class="n" style="color: #333;">nscore</span><span class="p">/</span><span class="n" style="color: #333;">i_ali</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">n_cut</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">![1,n_ali],align residues for the score</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="57" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
57
</td>
<td class="diff-line-num new_line" data-linenumber="59" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
59
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC59" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">dimension</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">k_ali</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">k_ali0</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="58" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
58
</td>
<td class="diff-line-num new_line" data-linenumber="60" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
60
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC60" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="59" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
59
</td>
<td class="diff-line-num new_line old" data-linenumber="61" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC59" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">500</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">fnam</span><span class="p">,</span><span class="n" style="color: #333;">pdb</span><span class="p">(</span><span class="mi" style="color: #099;">100</span><span class="p">),</span><span class="n" style="color: #333;">outname</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="60" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="61" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
61
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC61" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">500</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">fnam</span><span class="p">,</span><span class="n" style="color: #333;">pdb</span><span class="p">(</span><span class="mi" style="color: #099;">100</span><span class="p">),</span><span class="n" style="color: #333;">outname</span><span class="p"><span class="idiff left">,</span></span><span class="n" style="color: #333;"><span class="idiff">xxx_p</span></span><span class="p"><span class="idiff">,</span></span><span class="n" style="color: #333;"><span class="idiff right">xxx_pdb</span></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="60" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
60
</td>
<td class="diff-line-num new_line" data-linenumber="62" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
62
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC62" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">3</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">aa</span><span class="p">(</span><span class="mi" style="color: #099;">-1</span><span class="p">:</span><span class="mi" style="color: #099;">20</span><span class="p">),</span><span class="n" style="color: #333;">seqA</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">seqB</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">aanam</span><span class="p">,</span><span class="n" style="color: #333;">ss</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">nmax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="61" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
61
</td>
<td class="diff-line-num new_line" data-linenumber="63" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
63
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC63" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">500</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">s</span><span class="p">,</span><span class="n" style="color: #333;">du</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="62" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
62
</td>
<td class="diff-line-num new_line" data-linenumber="64" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
64
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC64" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">1</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">chA</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">chB</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">),</span><span class="n" style="color: #333;">ch</span><span class="p">(</span><span class="n" style="color: #333;">nmax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="86" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="88" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -86,7 +88,7 @@ ccc mmCIF</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="86" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
86
</td>
<td class="diff-line-num new_line" data-linenumber="88" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
88
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC88" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">20</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="87" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
87
</td>
<td class="diff-line-num new_line" data-linenumber="89" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
89
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC89" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Agroup</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">6</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="88" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
88
</td>
<td class="diff-line-num new_line" data-linenumber="90" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
90
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC90" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="mi" style="color: #099;">3</span><span class="p">,</span><span class="n" style="color: #333;">Aalt</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="89" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
89
</td>
<td class="diff-line-num new_line old" data-linenumber="91" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC89" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="mi" style="color: #099;"><span class="idiff left right">9000</span></span><span class="p">),</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">),</span><span class="n" style="color: #333;">Aent</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="90" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="91" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
91
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC91" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;"><span class="idiff left right">namax</span></span><span class="p">),</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">),</span><span class="n" style="color: #333;">Aent</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="90" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
90
</td>
<td class="diff-line-num new_line" data-linenumber="92" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
92
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC92" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">character</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Cins</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">nmax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="91" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
91
</td>
<td class="diff-line-num new_line" data-linenumber="93" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
93
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC93" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="92" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
92
</td>
<td class="diff-line-num new_line" data-linenumber="94" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
94
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC94" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="kt" style="color: #458; font-weight: 600;">integer</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aatomi</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">),</span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">namax</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="142" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="144" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -142,10 +144,13 @@ ccc</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="142" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
142
</td>
<td class="diff-line-num new_line" data-linenumber="144" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
144
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC144" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">'5. TM-score with superposition output, e.g. '</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="143" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
143
</td>
<td class="diff-line-num new_line" data-linenumber="145" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
145
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC145" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">'</span><span class="se" style="color: #d14;">''</span><span class="s1" style="color: #d14;">TM.sup</span><span class="se" style="color: #d14;">''</span><span class="s1" style="color: #d14;">:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="144" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
144
</td>
<td class="diff-line-num new_line" data-linenumber="146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
146
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC146" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >TMscore model native -o TM.sup'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="145" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
145
</td>
<td class="diff-line-num new_line old" data-linenumber="147" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC145" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view the superimposed CA-traces by rasmol:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="147" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
147
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC147" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed CA-traces by rasmol '</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="148" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
148
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC148" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">'or pymol:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
146
</td>
<td class="diff-line-num new_line" data-linenumber="149" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
149
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC149" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >rasmol -script TM.sup'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="147" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
147
</td>
<td class="diff-line-num new_line old" data-linenumber="150" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC147" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed atomic models by rasmol:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="148" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="150" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
150
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC150" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >pymol -d @TM.sup.pml'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="148" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="151" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
151
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC151" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' To view superimposed atomic models:'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="148" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
148
</td>
<td class="diff-line-num new_line" data-linenumber="152" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
152
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC152" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >rasmol -script TM.sup_atm'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="149" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="153" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
153
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC153" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="s1" style="color: #d14;">' >pymol -d @TM.sup_atm.pml'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="149" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
149
</td>
<td class="diff-line-num new_line" data-linenumber="154" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
154
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC154" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="o" style="font-weight: 600;">*</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="150" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
150
</td>
<td class="diff-line-num new_line" data-linenumber="155" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
155
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC155" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">9999</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="151" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
151
</td>
<td class="diff-line-num new_line" data-linenumber="156" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
156
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC156" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">endif</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="284" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="289" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -284,8 +289,10 @@ c^^^^^^^^^altLoc checked (mk.ne.1 will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="284" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
284
</td>
<td class="diff-line-num new_line" data-linenumber="289" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
289
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC289" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_alt_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_alt</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'.',A,B</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="285" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
285
</td>
<td class="diff-line-num new_line" data-linenumber="290" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
290
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC290" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_comp_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_res</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!GLY,LEU</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="286" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
286
</td>
<td class="diff-line-num new_line" data-linenumber="291" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
291
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC291" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="287" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="292" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
292
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC292" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B, using later one</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="287" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
287
</td>
<td class="diff-line-num new_line" data-linenumber="293" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
293
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC293" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_entity_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ent</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,a,b</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="288" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
288
</td>
<td class="diff-line-num new_line old" data-linenumber="294" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC288" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="289" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="294" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
294
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC294" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3, </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="289" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="295" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
295
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC295" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3, identical to PDB res</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="289" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
289
</td>
<td class="diff-line-num new_line" data-linenumber="296" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
296
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC296" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.pdbx_PDB_ins_code'</span><span class="p">)</span><span class="n" style="color: #333;">i_ins</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,?</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="290" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
290
</td>
<td class="diff-line-num new_line" data-linenumber="297" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
297
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC297" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_x'</span><span class="p">)</span><span class="n" style="color: #333;">i_x</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!x, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="291" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
291
</td>
<td class="diff-line-num new_line" data-linenumber="298" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
298
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC298" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_y'</span><span class="p">)</span><span class="n" style="color: #333;">i_y</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!y, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="296" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="303" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -296,7 +303,7 @@ c^^^^^^^^^altLoc checked (mk.ne.1 will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="296" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
296
</td>
<td class="diff-line-num new_line" data-linenumber="303" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
303
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC303" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">s</span><span class="p">,</span><span class="o" style="font-weight: 600;">*</span><span class="p">)(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">j</span><span class="p">),</span><span class="n" style="color: #333;">j</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="k" style="font-weight: 600;">in</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!no space before characters</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="297" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
297
</td>
<td class="diff-line-num new_line" data-linenumber="304" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
304
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC304" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_atom</span><span class="p">)</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'CA'</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!read 'CA' ----------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="298" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
298
</td>
<td class="diff-line-num new_line" data-linenumber="305" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
305
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC305" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="ow" style="font-weight: 600;">.gt.</span><span class="mi" style="color: #099;">0</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="299" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
299
</td>
<td class="diff-line-num new_line old" data-linenumber="306" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC299" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">m_complex</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">0</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="300" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="306" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
306
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC306" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">m_complex</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="mi" style="color: #099;">0</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"><span class="idiff left"> </span></span><span class="c1" style="color: #998; font-style: italic;"><span class="idiff right">!monomer</span></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="300" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
300
</td>
<td class="diff-line-num new_line" data-linenumber="307" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
307
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC307" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i_mn</span><span class="ow" style="font-weight: 600;">.gt.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!sometimes it may have no i_mn</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="301" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
301
</td>
<td class="diff-line-num new_line" data-linenumber="308" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
308
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC308" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_mn</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">mn_t</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="302" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
302
</td>
<td class="diff-line-num new_line" data-linenumber="309" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
309
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC309" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">mn_t</span><span class="ow" style="font-weight: 600;">.ne.</span><span class="n" style="color: #333;">mn</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1013</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!only read first model</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="305" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="312" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -305,7 +312,7 @@ c^^^^^^^^^altLoc checked (mk.ne.1 will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="305" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
305
</td>
<td class="diff-line-num new_line" data-linenumber="312" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
312
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC312" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ch_t</span><span class="ow" style="font-weight: 600;">.ne.</span><span class="n" style="color: #333;">ch</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1013</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!only read first chain</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="306" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
306
</td>
<td class="diff-line-num new_line" data-linenumber="313" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
313
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC313" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_ent</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">ent_t</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="307" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
307
</td>
<td class="diff-line-num new_line" data-linenumber="314" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
314
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC314" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">ent_t</span><span class="ow" style="font-weight: 600;">.ne.</span><span class="n" style="color: #333;">ent</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1013</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!only read first entity</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="308" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
308
</td>
<td class="diff-line-num new_line old" data-linenumber="315" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC308" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">else</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="309" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="315" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
315
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC315" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">else</span><span class="w" style="color: #bbb;"><span class="idiff left"> </span></span><span class="c1" style="color: #998; font-style: italic;"><span class="idiff right">!dimer</span></span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="309" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
309
</td>
<td class="diff-line-num new_line" data-linenumber="316" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
316
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC316" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">i_mn</span><span class="ow" style="font-weight: 600;">.gt.</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="k" style="font-weight: 600;">then</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!sometimes it may have no i_mn</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="310" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
310
</td>
<td class="diff-line-num new_line" data-linenumber="317" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
317
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC317" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">read</span><span class="p">(</span><span class="n" style="color: #333;">ctmp</span><span class="p">(</span><span class="n" style="color: #333;">i_mn</span><span class="p">),</span><span class="o" style="font-weight: 600;">*</span><span class="p">)</span><span class="n" style="color: #333;">mn_t</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="311" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
311
</td>
<td class="diff-line-num new_line" data-linenumber="318" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
318
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC318" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">mn_t</span><span class="ow" style="font-weight: 600;">.ne.</span><span class="n" style="color: #333;">mn</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">))</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">goto</span><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1016</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!only read first model</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1026" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1033" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1026,13 +1033,13 @@ c^^^^^^^^^altLoc checked (mk.ne.1) will be skipped) ^^^^^^^^^</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1026" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1026
</td>
<td class="diff-line-num new_line" data-linenumber="1033" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1033
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1033" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.type_symbol'</span><span class="p">)</span><span class="n" style="color: #333;">i_type</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!N,C,O</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1027" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1027
</td>
<td class="diff-line-num new_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1034
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1034" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_atom_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_atom</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!CA,O</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1028" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1028
</td>
<td class="diff-line-num new_line" data-linenumber="1035" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1035
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1035" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_alt_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_alt</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!'.',A,B</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1029" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1029
</td>
<td class="diff-line-num new_line old" data-linenumber="1036" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1029" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1030" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1030
</td>
<td class="diff-line-num new_line" data-linenumber="1036" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1036
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1036" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_comp_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_res</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!GLY,LEU</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1031" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1031
</td>
<td class="diff-line-num new_line" data-linenumber="1037" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1037
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1037" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1032" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1038" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1038
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1038" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_asym_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ch</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,B, using later one</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1032" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1032
</td>
<td class="diff-line-num new_line" data-linenumber="1039" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1039
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1039" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_entity_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_ent</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,a,b</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1033" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1033
</td>
<td class="diff-line-num new_line" data-linenumber="1040" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1040
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1040" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.label_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1041" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1041
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1041" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.auth_seq_id'</span><span class="p">)</span><span class="n" style="color: #333;">i_resi</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!1,2,3, identical to PDB res</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1034" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1034
</td>
<td class="diff-line-num new_line" data-linenumber="1042" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1042
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1042" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.pdbx_PDB_ins_code'</span><span class="p">)</span><span class="n" style="color: #333;">i_ins</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!A,?</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1035" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1035
</td>
<td class="diff-line-num new_line old" data-linenumber="1043" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1035" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1036" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1036
</td>
<td class="diff-line-num new_line" data-linenumber="1043" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1043
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1043" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_x'</span><span class="p">)</span><span class="n" style="color: #333;">i_x</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!x, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1037" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1037
</td>
<td class="diff-line-num new_line" data-linenumber="1044" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1044
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1044" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_y'</span><span class="p">)</span><span class="n" style="color: #333;">i_y</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!y, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1038" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1038
</td>
<td class="diff-line-num new_line" data-linenumber="1045" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1045
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1045" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">if</span><span class="p">(</span><span class="n" style="color: #333;">du</span><span class="ow" style="font-weight: 600;">.eq.</span><span class="s1" style="color: #d14;">'_atom_site.Cartn_z'</span><span class="p">)</span><span class="n" style="color: #333;">i_z</span><span class="o" style="font-weight: 600;">=</span><span class="k" style="font-weight: 600;">in</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!z, 1.234</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1122" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1129" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1122,6 +1129,24 @@ c**************************************************************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1122" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1122
</td>
<td class="diff-line-num new_line" data-linenumber="1129" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1129
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1129" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">*************</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Step</span><span class="mi" style="color: #099;">-2</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">'aaa'</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="n" style="color: #333;">CA</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">only</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">***************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1123" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1123
</td>
<td class="diff-line-num new_line" data-linenumber="1130" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1130
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1130" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">**************************************************************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1124" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1124
</td>
<td class="diff-line-num new_line" data-linenumber="1131" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1131
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1131" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!pdb1.aln + pdb2.aln</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1132" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1132
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1132" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1133" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1133
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1133" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*************</span><span class="n" style="color: #333;">for</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">preset</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1134" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1134
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1134" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx_p</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'.pml'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for pymol script</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1135" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1135
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1135" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx_pdb</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'.pdb'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for pymol script</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1136" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1136
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1136" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx_p</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1137" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1137
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1137" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1138" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1138
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1138" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1139" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1139
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1139" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A,A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'load '</span><span class="p">,</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">))</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1140" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1140
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1140" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'hide all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1141" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1141
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1141" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'bg_color white'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1142" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1142
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1142" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'color blue, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1143" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1143
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1143" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'color red, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1144" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1144
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1144" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'set transparency=0.2'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1145" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1145
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1145" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'set stick_radius, 0.3'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1146
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1146" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show sticks, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1147" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1147
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1147" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show sticks, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1148" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1148
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1148" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">preset</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">complete</span><span class="w" style="color: #bbb;"> </span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^^^^^^^^^^^</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1149" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1149
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1149" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1125" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1125
</td>
<td class="diff-line-num new_line" data-linenumber="1150" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1150
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1150" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">900</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="l">A</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1126" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1126
</td>
<td class="diff-line-num new_line" data-linenumber="1151" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1151
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1151" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">901</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'select atomno= '</span><span class="p">,</span><span class="l">I5</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1127" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1127
</td>
<td class="diff-line-num new_line" data-linenumber="1152" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1152
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1152" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">902</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'select atomno= '</span><span class="p">,</span><span class="l">I5</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1171" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1146,21 +1171,31 @@ c**************************************************************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1146" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1146
</td>
<td class="diff-line-num new_line" data-linenumber="1171" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1171
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1171" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">515</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'REMARK TM-score='</span><span class="p">,</span><span class="l">f6.4</span><span class="p">,</span><span class="s1" style="color: #d14;">' (d0='</span><span class="p">,</span><span class="l">f5.2</span><span class="p">,</span><span class="s1" style="color: #d14;">')'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1147" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1147
</td>
<td class="diff-line-num new_line" data-linenumber="1172" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1172
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1172" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">nseqA</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1148" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1148
</td>
<td class="diff-line-num new_line" data-linenumber="1173" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1173
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1173" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">seqA</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">chA</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">nresA</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">ins1</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1149" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1174" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1174
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1174" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xt</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">yt</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">zt</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1149" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1175
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1175" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">seqA</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">'A'</span><span class="p">,</span><span class="n" style="color: #333;">nresA</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">ins1</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1149" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1149
</td>
<td class="diff-line-num new_line" data-linenumber="1176" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1176
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1176" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xt</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">yt</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">zt</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1150" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1150
</td>
<td class="diff-line-num new_line" data-linenumber="1177" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1177
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1177" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1151" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1151
</td>
<td class="diff-line-num new_line" data-linenumber="1178" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1178
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1178" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1152" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1179" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1179
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1179" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1152" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1152
</td>
<td class="diff-line-num new_line" data-linenumber="1180" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1180
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1180" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">nseqA</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1153" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1153
</td>
<td class="diff-line-num new_line" data-linenumber="1181" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1181
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1181" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1239</span><span class="p">)</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="n" style="color: #333;">i</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1154" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1182" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1182
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1182" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1239</span><span class="p">)</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="n" style="color: #333;">i</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1154" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1154
</td>
<td class="diff-line-num new_line" data-linenumber="1183" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1183
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1183" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1155" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1155
</td>
<td class="diff-line-num new_line" data-linenumber="1184" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1184
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1184" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">nseqB</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1156" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1156
</td>
<td class="diff-line-num new_line" data-linenumber="1185" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1185
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1185" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">seqB</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">chB</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">nresB</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">ins2</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1157" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1186" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1186
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1186" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xb</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">yb</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">zb</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1157" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1187" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1187
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1187" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1236</span><span class="p">)</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">seqB</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">'B'</span><span class="p">,</span><span class="n" style="color: #333;">nresB</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">ins2</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1157" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1157
</td>
<td class="diff-line-num new_line" data-linenumber="1188" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1188
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1188" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xb</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">yb</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">zb</span><span class="p">(</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1158" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1158
</td>
<td class="diff-line-num new_line" data-linenumber="1189" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1189
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1189" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1159" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1159
</td>
<td class="diff-line-num new_line" data-linenumber="1190" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1190
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1190" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1160" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1191" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1191
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1191" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1160" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1160
</td>
<td class="diff-line-num new_line" data-linenumber="1192" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1192
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1192" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">nseqB</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1161" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1161
</td>
<td class="diff-line-num new_line" data-linenumber="1193" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1193
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1193" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1239</span><span class="p">)</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1162" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1194" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1194
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1194" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1239</span><span class="p">)</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span><span class="mi" style="color: #099;">-1</span><span class="p">,</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1162" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1162
</td>
<td class="diff-line-num new_line" data-linenumber="1195" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1195
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1195" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1163" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1163
</td>
<td class="diff-line-num new_line" data-linenumber="1196" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1196
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1196" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1164" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1197" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1197
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1197" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1164" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1198" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1198
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1198" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1164" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1164
</td>
<td class="diff-line-num new_line" data-linenumber="1199" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1199
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1199" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1236</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'ATOM '</span><span class="p">,</span><span class="l">i5</span><span class="p">,</span><span class="s1" style="color: #d14;">' CA '</span><span class="p">,</span><span class="l">A3</span><span class="p">,</span><span class="s1" style="color: #d14;">' '</span><span class="p">,</span><span class="l">A1</span><span class="p">,</span><span class="l">I4</span><span class="p">,</span><span class="l">A1</span><span class="p">,</span><span class="l">3X</span><span class="p">,</span><span class="l">3F8.3</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1165" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1165
</td>
<td class="diff-line-num new_line" data-linenumber="1200" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1200
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1200" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1238</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'TER'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1166" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1166
</td>
<td class="diff-line-num new_line" data-linenumber="1201" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1201
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1201" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">1239</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'CONECT'</span><span class="p">,</span><span class="l">I5</span><span class="p">,</span><span class="l">I5</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1169" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1204" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1169,9 +1204,26 @@ c**************************************************************</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1169" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1169
</td>
<td class="diff-line-num new_line" data-linenumber="1204" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1204
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1204" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">**************************************************************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1170" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1170
</td>
<td class="diff-line-num new_line" data-linenumber="1205" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1205
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1205" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">*************</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Step</span><span class="mi" style="color: #099;">-3</span><span class="p">:</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="s1" style="color: #d14;">'aaa_atm'</span><span class="w" style="color: #bbb;"> </span><span class="p">(</span><span class="nb" style="color: #0086b3;">all</span><span class="o" style="font-weight: 600;">-</span><span class="n" style="color: #333;">atom</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">***********</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1171" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1171
</td>
<td class="diff-line-num new_line" data-linenumber="1206" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1206
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1206" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="o" style="font-weight: 600;">**************************************************************</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1172" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1172
</td>
<td class="diff-line-num new_line old" data-linenumber="1207" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1172" class="line" lang="fortran"><span class="n" style="color: #333;">c</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">outname</span><span class="o" style="font-weight: 600;">=</span><span class="nb" style="color: #0086b3;">trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">)//</span><span class="s1" style="color: #d14;">'_atm'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1173" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1173
</td>
<td class="diff-line-num new_line" data-linenumber="1207" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1207
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1207" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">outname</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'_atm'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1174" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1174
</td>
<td class="diff-line-num new_line" data-linenumber="1208" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1208
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1208" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!pdb1.aln + pdb2.aln</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1209" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1209
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1209" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1210" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1210
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1210" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*************</span><span class="n" style="color: #333;">for</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">preset</span><span class="w" style="color: #bbb;"> </span><span class="o" style="font-weight: 600;">------></span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1211" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1211
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1211" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx_p</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'.pml'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for pymol script</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1212" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1212
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1212" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">xxx_pdb</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">outname</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">outname</span><span class="p">))//</span><span class="s1" style="color: #d14;">'.pdb'</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!for pymol script</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1213" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1213
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1213" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx_p</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1214" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1214
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1214" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">OPEN</span><span class="p">(</span><span class="n" style="color: #333;">unit</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="n" style="color: #333;">file</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">,</span><span class="n" style="color: #333;">status</span><span class="o" style="font-weight: 600;">=</span><span class="s1" style="color: #d14;">'unknown'</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1215" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1215
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1215" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1216" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1216
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1216" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A,A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'load '</span><span class="p">,</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">:</span><span class="nb" style="color: #0086b3;">len_trim</span><span class="p">(</span><span class="n" style="color: #333;">xxx_pdb</span><span class="p">))</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1217" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1217
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1217" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'hide all'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1218" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1218
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1218" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'bg_color white'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1219" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1219
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1219" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'color blue, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1220" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1220
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1220" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'color red, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1221" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1221
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1221" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'set transparency=0.2'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1222" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1222
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1222" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'set stick_radius, 0.3'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1223" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1223
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1223" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show cartoon, chain A'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1224" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1224
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1224" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">,</span><span class="s1" style="color: #d14;">'(A)'</span><span class="p">)</span><span class="s1" style="color: #d14;">'show cartoon, chain B'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1225" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1225
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1225" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">pymol</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">preset</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">complete</span><span class="w" style="color: #bbb;"> </span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^^^^^^^^^^^</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1226" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1226
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1226" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1175" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1175
</td>
<td class="diff-line-num new_line" data-linenumber="1227" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1227
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1227" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">900</span><span class="p">)</span><span class="s1" style="color: #d14;">'load inline'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1176" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1176
</td>
<td class="diff-line-num new_line" data-linenumber="1228" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1228
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1228" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">900</span><span class="p">)</span><span class="s1" style="color: #d14;">'select atomno<50001'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1177" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1177
</td>
<td class="diff-line-num new_line" data-linenumber="1229" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1229
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1229" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">900</span><span class="p">)</span><span class="s1" style="color: #d14;">'color blue'</span></span>
</pre>
</td>
</tr>
<tr class="line_holder match" id="" style="line-height: 1.6;">
<td class="diff-line-num unfold js-unfold old_line" data-linenumber="1189" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="diff-line-num unfold js-unfold new_line" data-linenumber="1241" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">...</td>
<td class="line_content match " style="padding-left: 0.5em; padding-right: 0.5em; color: rgba(0,0,0,0.3);" bgcolor="#fafafa">@@ -1189,18 +1241,26 @@ c outname=trim(outname)//'_atm'</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1189" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1189
</td>
<td class="diff-line-num new_line" data-linenumber="1241" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1241
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1241" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">az</span><span class="o" style="font-weight: 600;">=</span><span class="n" style="color: #333;">t2</span><span class="p">(</span><span class="mi" style="color: #099;">3</span><span class="p">)</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">u2</span><span class="p">(</span><span class="mi" style="color: #099;">3</span><span class="p">,</span><span class="mi" style="color: #099;">1</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="n" style="color: #333;">xx</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">u2</span><span class="p">(</span><span class="mi" style="color: #099;">3</span><span class="p">,</span><span class="mi" style="color: #099;">2</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="n" style="color: #333;">yy</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">u2</span><span class="p">(</span><span class="mi" style="color: #099;">3</span><span class="p">,</span><span class="mi" style="color: #099;">3</span><span class="p">)</span><span class="o" style="font-weight: 600;">*</span><span class="n" style="color: #333;">zz</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1190" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1190
</td>
<td class="diff-line-num new_line" data-linenumber="1242" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1242
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1242" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1191" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1191
</td>
<td class="diff-line-num new_line" data-linenumber="1243" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1243
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1243" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">8888</span><span class="p">)</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1192" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1244" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1244
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1244" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">ax</span><span class="p">,</span><span class="n" style="color: #333;">ay</span><span class="p">,</span><span class="n" style="color: #333;">az</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1192" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1245" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1245
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1245" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">8888</span><span class="p">)</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">'A'</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1192" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1192
</td>
<td class="diff-line-num new_line" data-linenumber="1246" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1246
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1246" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">ax</span><span class="p">,</span><span class="n" style="color: #333;">ay</span><span class="p">,</span><span class="n" style="color: #333;">az</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1193" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1193
</td>
<td class="diff-line-num new_line" data-linenumber="1247" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1247
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1247" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1194" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1194
</td>
<td class="diff-line-num new_line" data-linenumber="1248" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1248
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1248" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!TER</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1195" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1249" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1249
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1249" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!TER</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1195" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1195
</td>
<td class="diff-line-num new_line" data-linenumber="1250" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1250
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1250" class="line" lang="fortran"><span class="o" style="font-weight: 600;">***</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">chain2</span><span class="p">:</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1196" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1196
</td>
<td class="diff-line-num new_line" data-linenumber="1251" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1251
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1251" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">do</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">i</span><span class="o" style="font-weight: 600;">=</span><span class="mi" style="color: #099;">1</span><span class="p">,</span><span class="n" style="color: #333;">nL</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1197" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1197
</td>
<td class="diff-line-num new_line" data-linenumber="1252" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1252
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1252" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">8888</span><span class="p">)</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ach</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1198" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1253" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1253
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1253" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">xx</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">yy</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">zz</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1198" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1254" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1254
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1254" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">8888</span><span class="p">)</span><span class="mi" style="color: #099;">50000</span><span class="o" style="font-weight: 600;">+</span><span class="n" style="color: #333;">i</span><span class="p">,</span><span class="n" style="color: #333;">Aatom</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ares</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="s1" style="color: #d14;">'B'</span><span class="p">,</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1198" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1198
</td>
<td class="diff-line-num new_line" data-linenumber="1255" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1255
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1255" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="p">&</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">Aresi</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">Ains</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">xx</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">yy</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">),</span><span class="n" style="color: #333;">zz</span><span class="p">(</span><span class="mi" style="color: #099;">2</span><span class="p">,</span><span class="n" style="color: #333;">i</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1199" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1199
</td>
<td class="diff-line-num new_line" data-linenumber="1256" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1256
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1256" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">enddo</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1200" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1200
</td>
<td class="diff-line-num new_line" data-linenumber="1257" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1257
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1257" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!TER</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1201" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1258" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1258
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1258" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">write</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">,</span><span class="mi" style="color: #099;">1238</span><span class="p">)</span><span class="w" style="color: #bbb;"> </span><span class="c1" style="color: #998; font-style: italic;">!TER</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1201" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1201
</td>
<td class="diff-line-num new_line" data-linenumber="1259" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1259
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1259" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">7</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1202" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1260" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1260
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1260" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">11</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1202" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1261" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1261
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1261" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">close</span><span class="p">(</span><span class="mi" style="color: #099;">12</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1202" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1202
</td>
<td class="diff-line-num new_line" data-linenumber="1262" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1262
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1262" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">8888</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">format</span><span class="p">(</span><span class="s1" style="color: #d14;">'ATOM '</span><span class="p">,</span><span class="l">I5</span><span class="p">,</span><span class="l">1x</span><span class="p">,</span><span class="l">A4</span><span class="p">,</span><span class="l">1x</span><span class="p">,</span><span class="l">A3</span><span class="p">,</span><span class="s1" style="color: #d14;">' '</span><span class="p">,</span><span class="l">A1</span><span class="p">,</span><span class="l">I4</span><span class="p">,</span><span class="l">A1</span><span class="p">,</span><span class="l">3x</span><span class="p">,</span><span class="l">3F8.3</span><span class="p">)</span></span>
</pre>
</td>
</tr>
<tr class="line_holder old" id="" style="line-height: 1.6;">
<td class="diff-line-num old old_line" data-linenumber="1203" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
1203
</td>
<td class="diff-line-num new_line old" data-linenumber="1263" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #fac5cd; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#f9d7dc">
</td>
<td class="line_content old" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#fbe9eb">
<pre style="margin: 0;">-<span id="LC1203" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder new" id="" style="line-height: 1.6;">
<td class="diff-line-num new old_line" data-linenumber="1204" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
</td>
<td class="diff-line-num new new_line" data-linenumber="1263" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #c7f0d2; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#ddfbe6">
1263
</td>
<td class="line_content new" style="padding-left: 0.5em; padding-right: 0.5em;" bgcolor="#ecfdf0">
<pre style="margin: 0;">+<span id="LC1263" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1204" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1204
</td>
<td class="diff-line-num new_line" data-linenumber="1264" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1264
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1264" class="line" lang="fortran"><span class="o" style="font-weight: 600;">*</span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^^^^^^^^^^</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">output</span><span class="w" style="color: #bbb;"> </span><span class="n" style="color: #333;">finished</span><span class="w" style="color: #bbb;"> </span><span class="err" style="color: #a61717; background-color: #e3d2d2;">^^^^^^^^^^^^^^^^^^^^^^^^^^^^^</span></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1205" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1205
</td>
<td class="diff-line-num new_line" data-linenumber="1265" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1265
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1265" class="line" lang="fortran"></span>
</pre>
</td>
</tr>
<tr class="line_holder" id="" style="line-height: 1.6;">
<td class="diff-line-num old_line" data-linenumber="1206" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1206
</td>
<td class="diff-line-num new_line" data-linenumber="1266" style="width: 35px; color: rgba(0,0,0,0.3); border-right-width: 1px; border-right-color: #f0f0f0; border-right-style: solid; padding: 0 5px;" align="right" bgcolor="#fafafa">
1266
</td>
<td class="line_content" style="padding-left: 0.5em; padding-right: 0.5em;">
<pre style="margin: 0;"> <span id="LC1266" class="line" lang="fortran"><span class="w" style="color: #bbb;"> </span><span class="mi" style="color: #099;">9999</span><span class="w" style="color: #bbb;"> </span><span class="k" style="font-weight: 600;">END</span></span>
</pre>
</td>
</tr>
</table>
<br>
</li>
</div>
<div class="footer" style="margin-top: 10px;">
<p style="font-size: small; color: #777;">
—
<br>
<a href="https://salsa.debian.org/med-team/tm-align/commit/d52100bb71b9a16925519e546bba87e772ed8b4e">View it on GitLab</a>.
<br>
You're receiving this email because of your account on salsa.debian.org.
If you'd like to receive fewer emails, you can
adjust your notification settings.
<script type="application/ld+json">{"@context":"http://schema.org","@type":"EmailMessage","action":{"@type":"ViewAction","name":"View Commit","url":"https://salsa.debian.org/med-team/tm-align/commit/d52100bb71b9a16925519e546bba87e772ed8b4e"}}</script>
</p>
</div>
</body>
</html>