diff --git a/tools/ch2lmp/README b/tools/ch2lmp/README
old mode 100755
new mode 100644
index fa031bd7579a0e5a26ecf961735c2060fc252128..25c0a7a9a002371f309aa2b95b9f70ea81c25486
--- a/tools/ch2lmp/README
+++ b/tools/ch2lmp/README
@@ -41,9 +41,9 @@ should be -option=value (e.g. -border=5).
-border add border to all sides of simulation box [default: 0 A]
-ax rotation around x-axis
-ay rotation around y-axis
--az rotation around z-axis
+-az rotation around z-axis
-cd correction for dihedral for carbohydrate systems
--cmap add CMAP section to data file and fix cmap command lines in
+-cmap add CMAP section to data file and fix cmap command lines in
input script" (NOTE: requires use of *.pdb file)
In the "example" folder, you will find example files that were created
@@ -69,26 +69,26 @@ file has to the corresponding names in the charmm FF files. You'll
need to add a "pdbalias residue x xnew" line for each change that
needs to be made. The *.pgn should contain something like this:
-package require psfgen
+package require psfgen
topology top_all27_na.rtf
-pdbalias residue A ADE
-pdbalias residue T THY
-pdbalias residue G GUA
-pdbalias residue C CYT
+pdbalias residue A ADE
+pdbalias residue T THY
+pdbalias residue G GUA
+pdbalias residue C CYT
.
.
.
-segment A {pdb 1ac7_pared.pdb}
-coordpdb 1ac7_pared.pdb A
-guesscoord
-writepdb 1ac7.pdb
-writepsf charmm 1ac7.psf
-exit
+segment A {pdb 1ac7_pared.pdb}
+coordpdb 1ac7_pared.pdb A
+guesscoord
+writepdb 1ac7.pdb
+writepsf charmm 1ac7.psf
+exit
5) Type "vmd -e 1ac7.pgn" to build the 1ac7.psf file, and the new
1ac7.pdb file.
-6) Run charmm2lammps.pl by typing:
+6) Run charmm2lammps.pl by typing:
"perl charmm2lammps.pl all27_na 1ac7 -charmm -border=1 -pdb_ctrl -water -ions"
7) Run lammps by typing: "lmp < 1ac7.in"
@@ -105,7 +105,7 @@ molecule. The -pdb_ctrl option produces the 1ac7_ctrl.pdb file that
can be visualized in a standard visualization package such as VMD. The
-charmm option put comments into the LAMMPS data file (everything
after the # sign is a comment) for user convenience in tracking atom
-types etc. according to CHARMM nomenclature.
+types etc. according to CHARMM nomenclature.
The example molecule provided above (i.e., 1ac7) is a DNA fragment.
If instead, a peptide longer than 2 amino acid residues or a protein
diff --git a/tools/ch2lmp/charmm2lammps.pl b/tools/ch2lmp/charmm2lammps.pl
old mode 100644
new mode 100755
index 0e39f589da06f0c098f45e34389804e3eecca241..dbc6ba003cd042e485122aa1455b2e863e9c01aa
--- a/tools/ch2lmp/charmm2lammps.pl
+++ b/tools/ch2lmp/charmm2lammps.pl
@@ -10,7 +10,7 @@
# 20050212 Needed (in the same directory):
# - $project.crd ; Assumed to be correct and running
# - $project.psf ; CHARMM configs
-# - top_$forcefield.rtf ;
+# - top_$forcefield.rtf ;
# - par_$forcefield.prm ;
# Ouput:
# - $project.data ; LAMMPS data file
@@ -28,44 +28,31 @@
# 20050630 Fixed symbol issues arising from salt addition
# 20060818 Changed reading of pdb format to read exact columns
# 20070109 Changed AddMass() to use $max_id correctly
-# 20130508 Added 'CMAP crossterms' section at the end of the data file
-# 20131001 Added instructions in CMAP section to fix problem if 'ter'
-# is not designated in .pdb file to identify last amino acid
-#
+# 20160114 Added compatibility for parameter files that use IMPROPERS instead of IMPROPER
+# Print warning when not all parameters are detected. Set correct number of atom types.
+# 20160613 Fix off-by-one issue in atom type validation check
+# Replace -charmm command line flag with -nohints flag
+# and enable type hints in data file by default.
+# Add hints also to section headers
+# Add a brief minimization to example input template.
+# 20161001 Added 'CMAP crossterms' section at the end of the data file
+# 20161001 Added instructions in CMAP section to fix problem if 'ter'
+# is not designated in the .pdb file to identify last amino acid
+#
# General Many thanks to Paul S. Crozier for checking script validity
# against his projects.
-#
-# ------------------------------------------------------------------------------
-# NOTE: This current version was modified by Xiaohu Hu (hux2@ornl.gov)
-# DATE: April, May 2009
-# Then finalized to complete addition of CMAP terms to data file
-# by Robert A. Latour, Clemson University (latourr@clemson.edu)
-# and Chris Lorenz, King's College (chris.lorenz@kcl.ac.uk)
-# DATE: May, 2013
-#
-# The original code of charmm2lammps.pl is modified
-#
-# 1. to fix the double-counting problem in 1-4 interaction associated
-# with the carbon-hydrate 6-rings containing systems. (See subroutine
-# DihedralCorrect6Ring, activated with the option "-cd")
-#
-# 2. to add a new section "CMAP" which is a list of the peptide
-# backbone dihedrals cross terms. A modifed LAMMPS version will be
-# needed to be able to use this feature. (See subroutine CharmmCmap,
-# activated with the option "-cmap")
-#
-# These subroutines are independent from the original charmm2lammps.pl, i.e.
-# the original code of charmm2lammps.pl is unchanged. The new routines only
-# evaluate and modify the output generated by the original charmm2lammps.pl.
-# -----------------------------------------------------------------------------
-
+# Also thanks to Xiaohu Hu (hux2@ornl.gov) and Robert A. Latour
+# (latourr@clemson.edu), David Hyde-Volpe, and Tigran Abramyan,
+# Clemson University and Chris Lorenz (chris.lorenz@kcl.ac.uk),
+# King's College London for their efforts to add CMAP sections,
+# which is implemented using the option flag "-cmap".
# Initialization
sub Test
{
- my $name = shift(@_); # "@_" = argument passed to the subroutine
-
+ my $name = shift(@_);
+
printf("Error: file %s not found\n", $name) if (!scalar(stat($name)));
return !scalar(stat($name));
}
@@ -75,13 +62,11 @@
{
my $k = 0;
my @dir = ("x", "y", "z");
-
- # Modified by Xiaohu Hu, May 2009. Options "-cmap" and "-cdihedral" added
- my @options = ("-help", "-charmm", "-water", "-ions", "-center",
- "-quiet", "-pdb_ctrl", "-l", "-lx", "-ly", "-lz",
- "-border", "-ax", "-ay", "-az", "-cd", "-cmap");
- my @remarks = ("display this message",
- "add charmm types to LAMMPS data file",
+ my @options = ("-help", "-nohints", "-water", "-ions", "-center",
+ "-quiet", "-pdb_ctrl", "-l", "-lx", "-ly", "-lz",
+ "-border", "-ax", "-ay", "-az", "-cmap");
+ my @remarks = ("display this message",
+ "do not print type and style hints in data file",
"add TIP3P water [default: 1 g/cc]",
"add (counter)ions using Na+ and Cl- [default: 0 mol/l]",
"recenter atoms",
@@ -95,19 +80,14 @@
"rotation around x-axis",
"rotation around y-axis",
"rotation around z-axis",
- "use the 6-ring dihedral correction",
- "generate the CMAP section"
+ "generate a CMAP section in data file"
);
my $notes;
-
+
$program = "charmm2lammps";
-# $version = "1.8.2.5 beta"; # Modified by Xiaohu Hu, Dec 2009
- $version = "1.8.2.6 beta"; # Modified by Robert Latour & Chris Lorenz, May 2013
-# $year = "2009"; # Modified by Xiaohu Hu, April 2009
- $year = "2013"; # Modified by Robert Latour & Chris Lorenz, May 2013
- $cmap = 0; # Added by Xiaohu Hu, May 2009
- $cdihedral = 0; # Added by Xiaohu Hu, May 2009
- $add = 0;
+ $version = "1.9.0";
+ $year = "2016";
+ $add = 1;
$water_dens = 0;
$ions = 0;
$info = 1;
@@ -117,8 +97,9 @@
$pdb_ctrl = 1;
$border = 0;
$L = (0, 0, 0);
+ $cmap = 0;
@R = M_Unit();
-
+
$notes = " * The average of extremes is used as the origin\n";
$notes .= " * Residues are numbered sequentially\n";
$notes .= " * Water is added on an FCC lattice: allow 5 ps for";
@@ -138,10 +119,10 @@
$notes .= " - project.data LAMMPS data file\n";
$notes .= " - project.in suggested LAMMPS input script\n";
$notes .= " - project_ctrl.pdb control file when requested\n";
-
+
foreach (@ARGV)
{
- if (substr($_, 0, 1) eq "-") # if the first letter of the aguement is "-" = an option
+ if (substr($_, 0, 1) eq "-")
{
my $k = 0;
my @tmp = split("=");
@@ -152,24 +133,24 @@
last if ($tmp[0] eq substr($_, 0 , length($tmp[0])));
++$k;
}
- $help = 1 if (!$k--);
- $add = 1 if (!$k--);
- $water_dens = ($tmp[1] ne "" ? $tmp[1] : 1) if (!$k--);
- $ion_molar = abs($tmp[1]) if (!$k);
- $ions = 1 if (!$k--);
- $center = 1 if (!$k--);
- $info = 0 if (!$k--);
- $pdb_ctrl = $switch if (!$k--);
- my $flag = $k--;
- $L[0] = abs($tmp[1]) if (!($flag && $k--));
- $L[1] = abs($tmp[1]) if (!($flag && $k--));
- $L[2] = abs($tmp[1]) if (!($flag && $k--));
- $border = abs($tmp[1]) if (!$k--);
- @R = M_Dot(M_Rotate(0, $tmp[1]), @R) if (!$k--);
- @R = M_Dot(M_Rotate(1, $tmp[1]), @R) if (!$k--);
- @R = M_Dot(M_Rotate(2, $tmp[1]), @R) if (!$k--);
- $cdihedral = 1 if (!$k--); # Added by Xiaohu Hu, May 2009
- $cmap = 1 if (!$k--); # Added by Xiaohu Hu, May 2009
+ $help = 1 if (!$k--); # -help
+ $add = 0 if (!$k--); # -nohints
+ $water_dens = ($tmp[1] ne "" ? $tmp[1] : 1) if (!$k--); # -water
+ $ion_molar = abs($tmp[1]) if (!$k); # -ions
+ $ions = 1 if (!$k--); # ...
+ $center = 1 if (!$k--); # -center
+ $info = 0 if (!$k--); # -quiet
+ $pdb_ctrl = $switch if (!$k--); # -pdb_ctrl
+ my $flag = $k--; # -l
+ $L[0] = abs($tmp[1]) if (!($flag && $k--)); # -lx
+ $L[1] = abs($tmp[1]) if (!($flag && $k--)); # -ly
+ $L[2] = abs($tmp[1]) if (!($flag && $k--)); # -lz
+ $border = abs($tmp[1]) if (!$k--); # -border
+ @R = M_Dot(M_Rotate(0, $tmp[1]), @R) if (!$k--);# -ax
+ @R = M_Dot(M_Rotate(1, $tmp[1]), @R) if (!$k--);# -ay
+ @R = M_Dot(M_Rotate(2, $tmp[1]), @R) if (!$k--);# -az
+ $cmap = ($tmp[1] ne "" ? $tmp[1] : 22) if (!$k--); # -cmap
+ print("Warning: ignoring unknown command line flag: $tmp[0]\n") unless $k;
}
else
{
@@ -180,7 +161,7 @@
$water_dens = 1 if ($ions && !$water_dens);
if (($k<2)||$help)
{
- printf("\n%s v%s (c)%s by Pieter J. in \'t Veld for SNL\nwith 6-ring dihedral correction and CMAP added by X. Hu, 2009\n\n",
+ printf("\n%s v%s (c)2005-%s by Pieter J. in \'t Veld and others\n\n",
$program, $version, $year);
printf("Usage:\n %s.pl [-option[=#] ..] forcefield project\n\n",$program);
printf("Options:\n");
@@ -191,7 +172,7 @@
printf("\nNotes:\n%s\n", $notes);
exit(-1);
}
- else { printf("%s v%s (c)%s\n\n", $program, $version, $year) if ($info); }
+ else { printf("\n%s v%s (c)2005-%s\n\n", $program, $version, $year) if ($info); }
my $flag = Test($Parameters = "par_$forcefield.prm");
$flag |= Test($Topology = "top_$forcefield.rtf");
$flag |= Test($Pdb = "$project.pdb")
@@ -219,7 +200,7 @@
return "{".$v[0].", ".$v[1].", ".$v[2]."}";
}
-
+
sub V_Add
{
my @v1 = splice(@_, 0, 3);
@@ -227,8 +208,8 @@
return ($v1[0]+$v2[0], $v1[1]+$v2[1], $v1[2]+$v2[2]);
}
-
-
+
+
sub V_Subtr
{
my @v1 = splice(@_, 0, 3);
@@ -236,8 +217,8 @@
return ($v1[0]-$v2[0], $v1[1]-$v2[1], $v1[2]-$v2[2]);
}
-
-
+
+
sub V_Dot
{
my @v1 = splice(@_, 0, 3);
@@ -245,8 +226,8 @@
return $v1[0]*$v2[0]+$v1[1]*$v2[1]+$v1[2]*$v2[2];
}
-
-
+
+
sub V_Mult
{
my @v = splice(@_, 0, 3);
@@ -255,12 +236,12 @@
return ($f*$v[0], $f*$v[1], $f*$v[2]);
}
-
+
sub M_String
{
my $string;
-
- for (my $i=0; $i<3; ++$i)
+
+ for (my $i=0; $i<3; ++$i)
{
$string .= ", " if ($i);
$string .= V_String(splice(@_, 0, 3));
@@ -277,7 +258,7 @@
@_[2], @_[5], @_[8]);
}
-
+
sub M_Dot
{
my @v11 = splice(@_, 0, 3);
@@ -287,7 +268,7 @@
my @v21 = splice(@m, 0, 3);
my @v22 = splice(@m, 0, 3);
my @v23 = splice(@m, 0, 3);
-
+
return (
V_Dot(@v11, @v21), V_Dot(@v11, @v22), V_Dot(@v11, @v23),
V_Dot(@v12, @v21), V_Dot(@v12, @v22), V_Dot(@v12, @v23),
@@ -298,7 +279,7 @@
sub M_Unit { return (1,0,0, 0,1,0, 0,0,1); }
sub PI { return 4*atan2(1,1); }
-
+
sub M_Rotate
{ # vmd convention
my $n = shift(@_);
@@ -313,7 +294,7 @@
return ($cos,-$sin,0, $sin,$cos,0, 0,0,1) if ($n==2); # around z-axis
return M_Unit();
}
-
+
sub MV_Dot
{
@@ -324,13 +305,13 @@
return (V_Dot(@v11, @v2), V_Dot(@v12, @v2), V_Dot(@v13, @v2));
}
-
-
+
+
# CHARMM input
-
+
sub PSFConnectivity
{
- my $n = PSFGoto(bonds); # $n = the total number of bonds
+ my $n = PSFGoto(bonds);
return if (scalar(@nconnect));
printf("Info: creating connectivity\n") if ($info);
@@ -342,6 +323,7 @@
}
}
+
sub PSFDihedrals # hack to accomodate
{ # LAMMPS' way of calc
$idihedral = 0; # LJ 1-4 interactions
@@ -371,7 +353,8 @@
$dihedral_flag = 1;
return $ndihedral;
}
-
+
+
sub CreatePSFIndex # make an index of id
{ # locations
my @psf_ids = ("!NATOM","!NBOND:","!NTHETA:","!NPHI:","!NIMPHI:");
@@ -391,24 +374,26 @@
}
}
- sub PSFGoto # goto $ident in <PSF> and return the total number of $ident
+
+ sub PSFGoto # goto $ident in <PSF>
{
CreatePSFIndex() if (!scalar(%PSFIndex));
my $id = shift(@_);
- my @n = split(" ", $PSFIndex{$id}); # = 1 if the $ident is found
-
+ my @n = split(" ", $PSFIndex{$id});
+
@PSFBuffer = ();
# return PSFDihedrals() if ($id eq "dihedrals");
if (!scalar(@n))
{
printf("Warning: PSF index for $id not found\n");
- seek(PSF, 0, SEEK_END); # set file-handle position to the EOF
+ seek(PSF, 0, SEEK_END);
return -1;
}
seek(PSF, $n[0], SEEK_SET);
return $n[1];
}
+
sub PSFGet
{
if ($dihedral_flag)
@@ -426,14 +411,14 @@
}
- sub PSFWrite
+ sub PSFWrite
{
my $items = shift(@_);
my $n = $items;
-
+
if ($psf_ncols>7) { printf(PSF_CTRL "\n"); $psf_ncols = 0; }
- foreach(@_)
- {
+ foreach(@_)
+ {
printf(PSF_CTRL " %7d", $_);
++$psf_ncols;
if ((!--$n) && ($psf_ncols>7))
@@ -449,7 +434,7 @@
sub CRDGoto
{
my $n;
-
+
return if (shift(@_) ne "atoms");
open(CRD, "<".($pdb ? $Pdb : $Crd)) if (fileno(CRD) eq "");
seek(CRD, 0, SEEK_SET);
@@ -466,20 +451,20 @@
my @data = ();
my $c = 0;
my $line;
-
+
while (substr($line = <CRD>, 0, 4) ne "ATOM") {};
chop($line);
foreach (@n) { push(@data, substr($line, ($c += $_)-$_, $_)); }
return @data[1, 8, 5, 3, 11, 12, 13, 17, 8, 15];
}
-
+
sub Delete
{
my $item = shift(@_);
my $k = 0;
my @list;
-
+
foreach (@_)
{
my @tmp = split(" ");
@@ -498,9 +483,9 @@
my $flag = $list[0] gt $list[-1];
my $j = $n;
my $tmp;
-
+
return "" if (scalar(@list)<$n);
- $flag = $list[1] gt $list[-2]
+ $flag = $list[1] gt $list[-2]
if ((scalar(@list)>3)&&($list[0] eq $list[-1]));
for (my $i=0; $i<$n; ++$i)
{
@@ -521,7 +506,7 @@
for (my $i=0; $i<$n; ++$i)
{
my @tmp = split(" ", <PSF>);
- $tmp[5] = $symbols{$tmp[5]}
+ $tmp[5] = $symbols{$tmp[5]}
if ((substr($tmp[5],0,1) lt '0')||(substr($tmp[5],0,1) gt '9'));
push(@atom_types, $tmp[5]);
++$list{$tmp[5]};
@@ -539,14 +524,17 @@
return sort({$a<=>$b} keys(%list));
}
-
+
sub Markers
{
- my %markers;
- my $n = 0;
-
- foreach ("NONBONDED", "BONDS", "ANGLES", "DIHEDRALS", "IMPROPER") {
- $markers{$_} = $n++; }
+ my %markers = (
+ NONBONDED => '0',
+ BONDS => '1',
+ ANGLES => '2',
+ DIHEDRALS => '3',
+ IMPROPERS => '4',
+ IMPROPER => '4'
+ );
return %markers;
}
@@ -555,14 +543,14 @@
{
my @cols = @_;
my $f = (scalar(@cols)>3)&&(substr($cols[3],0,1) ne "!");
- my @tmp = (-$cols[1], $cols[2],
+ my @tmp = (-$cols[1], $cols[2],
$f ? -$cols[4]:-$cols[1], $f ? $cols[5]:$cols[2]);
$tmp[1] *= 2.0**(5/6); # adjust sigma
$tmp[3] *= 2.0**(5/6); # adjust sigma 1-4
return join(" ", @tmp);
}
-
+
sub AtomParameters # non-bonded parameters
{
my @types;
@@ -586,7 +574,7 @@
if ($markers{$cols[0]} ne "") {
$read = ($markers{$cols[0]} eq "0") ? 1 : 0; }
}
- $list[$types{HT}] = NonBond(0, -0.046, 0.2245)
+ $list[$types{HT}] = NonBond(0, -0.046, 0.2245)
if ($water_dens&&($list[$types{HT}] eq ""));
$list[$types{OT}] = NonBond(0, -0.152100, 1.768200)
if ($water_dens&&($list[$types{OT}] eq ""));
@@ -605,7 +593,7 @@
my $id = (bonds, angles, dihedrals, impropers)[$mode];
my $n = PSFGoto($id);
my %list;
-
+
for (my $i=0; $i<$n; ++$i)
{
my @tmp = ();
@@ -636,7 +624,7 @@
{ # <PARAMETERS>
my $mode = shift(@_); # bonded mode
return if (($mode>3)||($mode<0));
-
+
my $items = (2, 3, 4, 4)[$mode]; # items per entry
my $name = ("bond", "angle", "dihedral", "improper")[$mode];
my $read = 0;
@@ -703,7 +691,7 @@
}
for (my $i=0; $i<scalar(@types); ++$i)
{
- printf("Warning: %s parameter %4d for [%s] was not found\n",
+ printf("Warning: %s parameter %4d for [%s] was not found\n",
$name, $i+1, $types[$i]) if ($parms[$i] eq "");
}
}
@@ -711,10 +699,10 @@
sub SetScreeningFactor # set screening factor
{
- my $id = shift(@_); # @_ has the form: ($variable, float no.)
+ my $id = shift(@_);
my $value = shift(@_);
my $new = "";
-
+
foreach (split(":", $parms[$id]))
{
my @tmp = split(" ");
@@ -724,7 +712,8 @@
}
$parms[$id] = $new;
}
-
+
+
sub CorrectDihedralParameters
{
my $n = PSFGoto(dihedrals);
@@ -734,22 +723,17 @@
my $id2;
my $first;
my $last;
-
- for (my $i=0; $i<$n; ++$i) # loop over all dihedrals
+
+ for (my $i=0; $i<$n; ++$i)
{
- my @bonded = PSFGet(4);
+ my @bonded = PSFGet(4);
my @tmp = ();
foreach (@bonded) { push(@tmp, $ids{$atom_types[$_]}); }
$id1 = $link{CreateID(@tmp)}-1;
$first = $bonded[0];
$last = $bonded[3];
-
if ($first>$last) { my $tmp = $first; $first = $last; $last = $tmp; }
-
- # if the condition "$id2 = $hash{$hash_id = $first." ".$last}" is false, which means
- # the id isn't in the hash, then it will be added, otherwise means this condition is
- # true and the
- if (($id2 = $hash{$hash_id = $first." ".$last}) eq "")
+ if (($id2 = $hash{$hash_id = $first." ".$last}) eq "")
{
$hash{$hash_id} = $id1; # add id to hash
}
@@ -773,26 +757,26 @@
}
}
-
+
sub AddMass
{
my $symbol = shift(@_);
my $mass = shift(@_);
-
+
return if ($symbols{$symbol} ne "");
$ids{++$max_id} = $symbol;
$masses{$max_id} = $mass;
$symbols{$symbol} = $max_id;
}
-
+
sub ReadTopology # read topology links
{
my $id = shift(@_);
my $item = shift(@_);
my $read = 0;
my @tmp;
-
+
open(TOPOLOGY, "<top_$forcefield.rtf");
$max_id = 0;
while (<TOPOLOGY>)
@@ -837,7 +821,7 @@
my @z = (-$L[2]/2, $L[2]/2);
my $n = CRDGoto(atoms);
my $extremes = !($L[0] && $L[1] && $L[2]);
-
+
@Center = (0, 0, 0);
return if (!$n);
for (my $i=0; $i<$n; ++$i)
@@ -874,7 +858,7 @@
my $s_OT = 1.7682; # CHARMM sigma [A]
my $ahoh = (180-104.52)/360*PI();
my @p = ($loh*cos($ahoh), $loh*sin($ahoh), 0);
-
+
printf("Info: creating fcc water\n") if ($info);
$n_water = 4; # molecules/cell
$nav = 6.022e23; # 1/mol
@@ -883,11 +867,11 @@
@p_water = (0,0,0, @p, -$p[0],$p[1],0);
$v_fcc = $n_water*$v_water; # cell volume
$l_fcc = $v_fcc**(1/3); # cell length
- @p_fcc = (0.00,0.00,0.00, 0.50,0.50,0.00,
+ @p_fcc = (0.00,0.00,0.00, 0.50,0.50,0.00,
0.50,0.00,0.50, 0.00,0.50,0.50);
@n_fcc = ();
for (my $i=0; $i<scalar(@L); ++$i)
- {
+ {
my $n = $L[$i]/$l_fcc; # calculate n_fcc
$n = int($n-int($n) ? $n+1 : $n); # ceil($n)
$L[$i] = $n*$l_fcc; # adjust box length
@@ -910,18 +894,18 @@
return $x>0 ? int($x) : int($x)-1;
}
-
+
sub Periodic
{
my @p = splice(@_, 0, 3);
-
+
return (
$p[0]-floor($p[0]/$L[0]+0.5)*$L[0],
$p[1]-floor($p[1]/$L[1]+0.5)*$L[1],
$p[2]-floor($p[2]/$L[2]+0.5)*$L[2]);
}
-
-
+
+
sub EraseWater
{
my $r = shift(@_)/2;
@@ -934,7 +918,7 @@
$p[0]+$r,$p[1]+$r,$p[2]-$r, $p[0]+$r,$p[1]+$r,$p[2]+$r);
my %list;
my @n;
-
+
my $d2 = ($r_water+$r)**2;
my @l = ($L[0]/2, $L[1]/2, $L[2]/2);
for (my $i=0; $i<scalar(@edges); $i+=3) # determine candidates
@@ -962,8 +946,8 @@
$flags_fcc[$n[0]][$n[1]][$n[2]] &= $flags; # set flags
}
}
-
-
+
+
sub CountFCC
{
my $n = 0;
@@ -980,11 +964,11 @@
return ($n_fccs = $n);
}
-
+
sub AddIons
{
my $n = ($n_waters = CountFCC())-int(abs($net_charge));
-
+
return if (!$ions);
printf("Warning: charge not neutralized: too little water\n") if ($n<0);
return if ($n<0);
@@ -1024,7 +1008,7 @@
$flags |= $salt*(1+$salt*$na)*$bit; # set type of ion
}
};
- $bit *= 2;
+ $bit *= 2;
}
$flags_fcc[$x][$y][$z] = $flags;
}
@@ -1032,12 +1016,13 @@
}
}
-
+
# LAMMPS output
sub WriteLAMMPSHeader # print lammps header
{
- printf(LAMMPS "Created by $program v$version on %s\n", `date`);
+ printf(LAMMPS "LAMMPS data file. %sCreated by $program v$version on %s\n",
+ ($add ? "CGCMM Style. atom_style full. " : ""),`date`);
printf(LAMMPS "%12d atoms\n", $natoms);
printf(LAMMPS "%12d bonds\n", $nbonds);
printf(LAMMPS "%12d angles\n", $nangles);
@@ -1068,12 +1053,12 @@
printf(PSF_CTRL "\n");
}
-
+
sub WriteBoxSize # print box limits
{
my @lo = V_Mult(@L[0,1,2], -1/2);
my @hi = V_Mult(@L[0,1,2], 1/2);
-
+
@lo = V_Add(@lo, @Center) if (!$center);
@hi = V_Add(@hi, @Center) if (!$center);
printf(LAMMPS "%12.8g %12.8g xlo xhi\n", $lo[0], $hi[0]);
@@ -1081,11 +1066,11 @@
printf(LAMMPS "%12.8g %12.8g zlo zhi\n\n", $lo[2], $hi[2]);
}
-
+
sub WriteMasses # print mass list
{
my $k = 0;
-
+
printf(LAMMPS "Masses\n\n");
foreach (@types)
{
@@ -1147,7 +1132,7 @@
printf(PDB_CTRL "ATOM %6.6s %-4.4s %-3.3s %5.5s %3.3s ".
"%7.7s %7.7s %7.7s %5.5s %5.5s %4.4s %s\n", $k,
$types[$par[$j]-1], $n-1 ? "HOH" : "ION", $res, "",
- $xyz[0], $xyz[1], $xyz[2], "1.00", "0.00", "",
+ $xyz[0], $xyz[1], $xyz[2], "1.00", "0.00", "",
$n-1 ? "WATR" : "SALT") if ($pdb_ctrl);
printf(PSF_CTRL "%8d %4.4s %-4.4s %-4.4s %-4.4s %4.4s ".
"%16.8e %7.7s %9.9s 0\n", $k, $n-1 ? "WATR" : "SALT",
@@ -1169,11 +1154,11 @@
{
my $n = PSFGoto(atoms);
my @res = (0, 0);
-
+
printf(PSF_CTRL "%8d !NATOM\n", $n+2*$n_waters+$n_fccs);
- while (<PSF>)
- {
- last if (!$n--);
+ while (<PSF>)
+ {
+ last if (!$n--);
my @psf = split(" ");
if ($res[1]!=$psf[2]) { ++$res[0]; $res[1] = $psf[2]; }
printf(PSF_CTRL "%8d %4.4s %-4.4s %-4.4s %-4.4s %-4.4s ".
@@ -1188,10 +1173,10 @@
my $n = PSFGoto(atoms);
my $k = 0;
my @res = (0, 0);
-
+
CRDGoto(atoms);
$net_charge = 0;
- printf(LAMMPS "Atoms\n\n") if ($n>0);
+ printf(LAMMPS "Atoms%s\n\n",($add ? " # full" : "")) if ($n>0);
for (my $i=0; $i<$n; ++$i)
{
my @crd = $pdb ? NextPDB2CRD() : split(" ", <CRD>);
@@ -1225,6 +1210,7 @@
{
my $mode = shift(@_)+1;
my $header = ("Pair","Bond","Angle","Dihedral","Improper")[$mode];
+ my $hint = ("# lj/charmm/coul/long", "# harmonic", "# charmm", "# charmm", "# harmonic")[$mode];
my $n = (4, 2, 4, 4, 2)[$mode];
my $k = 0;
@@ -1238,7 +1224,7 @@
@parms = Delete(1, @parms) if ($mode==3);
}
return 0 if (!scalar(@parms));
- printf(LAMMPS "%s Coeffs\n\n", $header);
+ printf(LAMMPS "%s Coeffs %s\n\n", $header, ($add ? $hint : ""));
for (my $i=0; $i<scalar(@parms); ++$i)
{
if ($parms[$i] ne "")
@@ -1247,7 +1233,7 @@
{
my @tmp = split(" ");
printf(LAMMPS "%8d", ++$k);
- for (my $j=0; $j<$n; ++$j) {
+ for (my $j=0; $j<$n; ++$j) {
printf(LAMMPS " %16.12g", $j<scalar(@tmp) ? $tmp[$j] : 0); }
printf(LAMMPS "%s\n", $add ? " # ".$types[$i] : "");
}
@@ -1263,7 +1249,7 @@
my $mode = shift(@_);
my $k = shift(@_);
my $atom = $k_fcc;
-
+
return $k if (($mode>1)||!$water_dens);
my $type = $mode ? CreateID(HT, OT, HT) : CreateID(HT, OT);
my $id = $link{$type};
@@ -1280,7 +1266,7 @@
my $bit = 1;
for (my $i=0; $i<scalar(@p_fcc); $i+=3)
{
- if ($flags&$bit)
+ if ($flags&$bit)
{
if ($flags&($bit*$salt)) { ++$atom; }
else
@@ -1307,7 +1293,7 @@
return $k;
}
-
+
sub WriteBonded # print bonded list
{
my $mode = shift(@_);
@@ -1318,7 +1304,7 @@
my $k = 0;
my @delta;
my @tmp;
-
+
return 0 if ($n<1);
printf(LAMMPS "%s\n\n", ucfirst($title));
printf(PSF_CTRL "\n%8d %s %s\n", $n+($mode ? ($mode==1 ? $n_waters : 0)
@@ -1363,7 +1349,7 @@
return $k;
}
-
+
sub CreateCorrectedPairCoefficients
{
my $read = 0;
@@ -1386,8 +1372,8 @@
if (($id1 ne "")&&($id2 ne ""))
{
my @c = (abs($cols[2]), $cols[3]*2.0**(-1/6));
- if ($type{$id2}<$type{$id1})
- {
+ if ($type{$id2}<$type{$id1})
+ {
my $tmp = $id1; $id1 = $id2; $id2 = $tmp;
}
$coefficients .= ":" if ($coefficients ne "");
@@ -1400,7 +1386,7 @@
}
}
-
+
sub WriteData
{
open(LAMMPS, ">$project.in"); # use .in for temporary
@@ -1418,6 +1404,11 @@
CreateCorrectedPairCoefficients();
for (my $i=0; $i<scalar(@types); ++$i) { $types[$i] = $ids{$types[$i]}; }
$natom_types = WriteParameters(-1); # pairs
+ if ($#types+1 > $natom_types) {
+ print "Warning: $#types atom types present, but only $natom_types pair coeffs found\n";
+ # reset to what is found while determining the number of atom types.
+ $natom_types = $#types+1;
+ }
$natoms = WriteAtoms();
$nbond_types = WriteParameters(0); # bonds
$nbonds = WriteBonded(0);
@@ -1449,27 +1440,22 @@
printf(LAMMPS "# Created by $program v$version on %s\n", `date`);
printf(LAMMPS "units real\n"); # general
printf(LAMMPS "neigh_modify delay 2 every 1\n\n");
-
- printf(LAMMPS "boundary p p p\n\n");
printf(LAMMPS "atom_style full\n"); # styles
printf(LAMMPS "bond_style harmonic\n") if ($nbond_types);
printf(LAMMPS "angle_style charmm\n") if ($nangle_types);
printf(LAMMPS "dihedral_style charmm\n") if ($ndihedral_types);
printf(LAMMPS "improper_style harmonic\n\n") if ($nimproper_types);
- printf(LAMMPS "# if cutoffs to be used for electrostatics, use pair_style lj/charmmfsw/coul/charmmfsh\n");
- printf(LAMMPS "# and delete or comment out kspace_style\n");
printf(LAMMPS "pair_style lj/charmm/coul/long 8 12\n");
printf(LAMMPS "pair_modify mix arithmetic\n");
- printf(LAMMPS "kspace_style pppm 1e-4\n\n");
-
+ printf(LAMMPS "kspace_style pppm 1e-6\n\n");
+
if ($cmap) {
- printf(LAMMPS "# Modify following lines to provide directory path cmap.data and 'project'.data files\n");
- printf(LAMMPS "fix cmap all cmap /directoryPath/.../cmap36.data\n");
+ printf(LAMMPS "# Modify following line to point to the desired CMAP file\n");
+ printf(LAMMPS "fix cmap all cmap charmm$cmap.cmap\n");
printf(LAMMPS "fix_modify cmap energy yes\n");
- printf(LAMMPS "read_data /directoryPath/.../$project.data fix cmap crossterm CMAP\n\n");
+ printf(LAMMPS "read_data $project.data fix cmap crossterm CMAP\n\n");
}else{
- printf(LAMMPS "# Modify following line to provide directory path for 'project'.data file\n");
- printf(LAMMPS "read_data /directoryPath/.../$project.data\n\n"); # read data
+ printf(LAMMPS "read_data $project.data\n\n"); # read data
}
if ($coefficients ne "") # corrected coeffs
@@ -1481,15 +1467,16 @@
printf(LAMMPS "\n");
}
printf(LAMMPS "special_bonds charmm\n"); # invoke charmm
+ printf(LAMMPS "thermo 1\n"); # set thermo style
+ printf(LAMMPS "thermo_style multi\n");
+ printf(LAMMPS "timestep 0.5\n\n"); # 0.5 ps time step
+ printf(LAMMPS "minimize 0.0 0.0 1000 10000\n\n"); # take off the edge
printf(LAMMPS "fix 1 all nve\n");
printf(LAMMPS "fix 2 all shake 1e-6 500 0 m 1.0\n")
if ($shake eq ""); # shake all H-bonds
printf(LAMMPS "fix 2 all shake 1e-6 500 0 m 1.0 a %s\n",$shake)
if ($shake ne ""); # add water if present
printf(LAMMPS "velocity all create 0.0 12345678 dist uniform\n\n");
- printf(LAMMPS "thermo 1\n"); # set thermo style
- printf(LAMMPS "thermo_style multi\n");
- printf(LAMMPS "timestep 0.5\n\n"); # 0.5 ps time step
printf(LAMMPS "restart 10 $project.restart1 $project.restart2\n");
printf(LAMMPS "dump 1 all atom 10 $project.dump\n");
printf(LAMMPS "dump_modify 1 image yes scale yes\n\n");
@@ -1497,435 +1484,32 @@
close(LAMMPS);
}
- # ------------------ DESCRIPTION: sub DihedralCorrect6Ring ------------------ #
- # #
- # This subroutine is a subsequent correction of the dihedral 1-4 non-bonded #
- # interaction scaling factor in the LAMMPS data file. The problem occurs in #
- # dealing with carbohydrate systems, when some dihedrals outside of a 6-ring #
- # are incorrectly assigned to the same dihedral type as dihedrals within a #
- # 6-ring. Thus, those dihedrals outside of a 6-ring will be treated with a #
- # 1-4 non-bonded interaction scaling factor of 0.5 instead of 1. #
- # #
- # By: Xiaohu Hu (hux2@ornl.gov) #
- # #
- # April 2009 #
- # #
- # --------------------------------------------------------------------------- #
-
-sub DihedralCorrect6Ring
-{
- print "\nINITIATE DIHEDRAL CORRECTION...\n\n";
- ## Variables for general data
- # arrays
- my @temp_data1;
- my @temp_data2;
- my @dihedral_coeffs;
- my @dihedral_list;
- my @raw_data;
- my @temp1;
- my @temp2;
- my @temp3;
- my @ring_dihe_list;
- my @ring_dihetype_list;
-
- # integers
- my $counter1 = 0;
- my $counter2 = 0;
- my $net_ndihedral = 0;
- my $net_ndihedral_types = 0;
- my $splice_onset_dihe = 0;
- my $splice_onset_dihe_coeff = 0;
- my $n;
- my $ntyp;
-
- # matrix
- my @dihedral_matrix;
- my @dihedral_coeff_matrix;
- my @new_dihedral_coeff_matrix;
- my @new_dihedral_matrix;
-
- ## Variables for dihedral matrix data
- # "Dihedral Coeffs"
- my $dihedral_type_c;
- my $amp;
- my $period;
- my $equ_val;
- my $scaling;
-
- # "Dihedrals"
- my $dihedral_no;
- my $dihedral_type_l;
- my $atom_1_no;
- my $atom_2_no;
- my $atom_3_no;
- my $atom_4_no;
-
-# ------------- Reread the previously generated LAMMPS data file --------------------
-
- open(LAMMPS, "< $project.data") or
- die "\"sub DihedralCorrect6Ring\" cannot open \"$project.data!\n";
- print "Analysing \"$project.data\"...\n\n";
- @raw_data = <LAMMPS>;
- close(LAMMPS);
-
- # Find the number of dihedrals and dihedral types and the sections "Dihedrals"
- # and "Dihedral Coeffs" in LAMMPS data file
- foreach $line (@raw_data) {
- $counter1++;
- chomp($line);
- if ($line =~ m/dihedrals/) {
- ($n,$string) = split(" ",$line);
- print "$n dihedrals\n";
- }
- if ($line =~ m/dihedral types/) {
- ($ntyp,$string) = split(" ",$line);
- print "$ntyp dihedral types\n";
- }
- if ($line =~ m/Dihedral Coeffs/) {
- print "Section \"Dihedrals\" found\n";
- $splice_onset_dihe_coeff = $counter1;
- }
- if ($line =~ m/Dihedrals/) {
- print "Section \"Dihedral Coeffs\" found\n";
- $splice_onset_dihe = $counter1;
- }
- }
- if ($splice_onset_dihe_coeff == 0 and $splice_onset_dihe == 0) {
- print "\nNo dihedral data in \"$project.data\", no dihedral correction necessary\n";
- return;
- }
- elsif ($splice_onset_dihe_coeff == 0 or $splice_onset_dihe == 0) {
- print "\nDihedral data incomplete! Dihedral correction impossible\n";
- return;
- }
-
-
-# --------------- Transform the raw data into matrices -----------------------
-
- @temp_data1 = @temp_data2 = @raw_data;
-
- #Store the section "Dihedral Coeffs" into a new list
- @dihedral_coeffs = splice(@temp_data1,$splice_onset_dihe_coeff,$ntyp+1);
-
- # Transfer the data from "@dihedral_coeffs" (an array of strings)
- # into "@dihedral_coeff_matrix" (a 6 x $n matrix of integers)
- for (@dihedral_coeffs) {
- ($dihedral_type_c,
- $amp,
- $period,
- $equ_val,
- $scaling) = split(" ");
-
- push(@dihedral_coeff_matrix,
- [$dihedral_type_c,
- $amp,
- $period,
- $equ_val,
- $scaling]);
- }
-
- # Store the section "Dihedrals" into a new list
- @dihedral_list = splice(@temp_data2,$splice_onset_dihe,$n+1);
-
- # Transfer the data from "@dihedral_list" (an array of strings)
- # into "@dihedral_matrix" (a 6 x $n matrix of integers)
- for (@dihedral_list) {
- ($dihedral_no,
- $dihedral_type_l,
- $atom_no_1,
- $atom_no_2,
- $atom_no_3,
- $atom_no_4) = split(" ");
-
- push(@dihedral_matrix,
- [$dihedral_no,
- $dihedral_type_l,
- $atom_no_1,
- $atom_no_2,
- $atom_no_3,
- $atom_no_4]);
- }
-
- for (my $i = 1; $i < $n; $i++) {
- my $cur_type = ${$dihedral_matrix[$i]}[1];
- if ($cur_type == 1 or
- $cur_type == 16 or
- $cur_type == 34 or
- $cur_type == 46 or
- $cur_type == 58 or
- $cur_type == 64) {
- push(@list,$cur_type);
- }
- }
- @list = sort {$a <=> $b} @list;
- #print "@list\n";
- #print "Total: $#list\n";
-
-# ------------------ Reformat the matrices -------------------------------
-
- # Loop the dihedral coefficient matrix and throw away all elements
- # with a zero scaling factor (= entries with periodicity != 1)
- for (my $i = 1; $i < $ntyp; $i++) {
- my $current_sf = ${$dihedral_coeff_matrix[$i]}[4];
- if ($current_sf != 0) {
- push(@new_dihedral_coeff_matrix,
- [${$dihedral_coeff_matrix[$i]}[0],
- ${$dihedral_coeff_matrix[$i]}[1],
- ${$dihedral_coeff_matrix[$i]}[2],
- ${$dihedral_coeff_matrix[$i]}[3],
- ${$dihedral_coeff_matrix[$i]}[4]]);
- $net_ndihedral_types++;
- }
- }
-
- # Remove the duplicated dihedrals from the @dihedral_matrix and save
- # results into @new_dihedral_matrix
- push(@new_dihedral_matrix,
- [${$dihedral_matrix[1]}[0],
- ${$dihedral_matrix[1]}[1],
- ${$dihedral_matrix[1]}[2],
- ${$dihedral_matrix[1]}[3],
- ${$dihedral_matrix[1]}[4],
- ${$dihedral_matrix[1]}[5]]);
- $net_ndihedral = 1;
- for (my $i = 2; $i < $n; $i++) {
- if (${$dihedral_matrix[$i]}[2] != ${$dihedral_matrix[$i-1]}[2] or
- ${$dihedral_matrix[$i]}[3] != ${$dihedral_matrix[$i-1]}[3] or
- ${$dihedral_matrix[$i]}[4] != ${$dihedral_matrix[$i-1]}[4] or
- ${$dihedral_matrix[$i]}[5] != ${$dihedral_matrix[$i-1]}[5]) {
- push(@new_dihedral_matrix,
- [${$dihedral_matrix[$i]}[0],
- ${$dihedral_matrix[$i]}[1],
- ${$dihedral_matrix[$i]}[2],
- ${$dihedral_matrix[$i]}[3],
- ${$dihedral_matrix[$i]}[4],
- ${$dihedral_matrix[$i]}[5]]);
- $net_ndihedral++;
- }
- }
-
- # Print out the matrix
- # my $ref_line;
- # my $column;
- # print "New dihedral list:\n";
- # foreach $ref_line (@new_dihedral_matrix) {
- # foreach $column (@$ref_line) {
- # print "$column "
- # }
- # print "\n";
- # }
-
-# --------------- Seach for the wrong scaling factors ----------------------------
-
- # Loop through the dihedral matrix to determine the dihedrals within
- # a 6-ring. Note there is some duplication in this approach due to
- # processing already processed dihedrals. This will be taken care of
- # later.
- #
- # NOTE: @ringlist contains the dihedrals types which corresponds to
- # dihedrals within a 6-ring system.
- #
- my $n6ring = 0;
- for (my $i = 1; $i < $net_ndihedral; $i++) {
- my $current_i = ${$new_dihedral_matrix[$i]}[2];
- my $current_l = ${$new_dihedral_matrix[$i]}[5];
- for (my $j = $i + 1; $j < $net_ndihedral; $j++) {
- if ( ($current_i == ${$new_dihedral_matrix[$j]}[2] and
- $current_l == ${$new_dihedral_matrix[$j]}[5]) or
- ($current_i == ${$new_dihedral_matrix[$j]}[5] and
- $current_l == ${$new_dihedral_matrix[$j]}[2]) ) {
- push(@temp2,${$new_dihedral_matrix[$i]}[0]);
- push(@temp2,${$new_dihedral_matrix[$j]}[0]);
- push(@temp3,${$new_dihedral_matrix[$i]}[1]);
- push(@temp3,${$new_dihedral_matrix[$j]}[1]);
- $n6ring++;
- }
- }
- }
-
- if ($n6ring == 0) {
- print "\nNo dihedrals within 6-ring structure found. No correction necessary.\n";
- return;
- }
-
- # Sort the lists according to the numerical order
- @ring_dihe_list = sort {$a <=> $b} @temp2;
- @ring_dihetype_list = sort {$a <=> $b} @temp3;
-
- # Remove the dups
- my %seen1;
- for (my $i = 0; $i <= $#ring_dihe_list;) {
- splice @ring_dihe_list, --$i, 1
- if $seen1 {$ring_dihe_list[$i++]}++;
- }
-
- my %seen2;
- for (my $i = 0; $i <= $#ring_dihetype_list;) {
- splice @ring_dihetype_list, --$i, 1
- if $seen1 {$ring_dihetype_list[$i++]}++;
- }
-
- print "6-ring dihedral types:\n";
- print "@ring_dihetype_list\n";
- print "6-ring dihedrals:\n";
- print "@ring_dihe_list\n";
-
- # Locate the wrong dihedrals in the dihedral list. Criteria to be wrong:
- # if the type of the dihedral is equal to one from the list @ring_dihetype_list
- # but not one from the @ring_dihe_list
- my @errorlist;
- my @errortypes;
- my @raw_errortypes;
- my $dihe_flag = 0;
-
- for (my $i = 1; $i < $n; $i++) {
- my $cur_dihe = ${dihedral_matrix[$i]}[0];
- my $cur_type = ${dihedral_matrix[$i]}[1];
-
- for (my $j = 0; $j <= $#ring_dihetype_list; $j++) {
- if ($cur_type == $ring_dihetype_list[$j]) {
- for (my $k = 0; $k <= $#ring_dihe_list; $k++) {
- if ($cur_dihe == $ring_dihe_list[$k]) {
- $dihe_flag++;
- }
- }
- }
- }
-
- if ($dihe_flag == 0) {
- for (my $j = 0; $j <= $#ring_dihetype_list; $j++) {
- if ($cur_type == $ring_dihetype_list[$j]) {
- push(@errorlist,$cur_dihe);
- push(@raw_errortypes,$cur_type);
- $counter2++;
- }
- }
- }
-
- $dihe_flag = 0;
- }
-
- if ($counter2 == 0) {
- print "\nNo mis-assigned dihedrals found. No correction necessary.\n";
- return;
- }
-
- print "mis-assigned dihedral/s found: $counter2\n";
- print "@errorlist\n";
- # print "@raw_errortypes\n";
-
- # Sort the @errortypes and remove dups
- @errortypes = sort {$a <=> $b} @raw_errortypes;
- my %seen4;
- for (my $i = 0; $i <= $#errortypes;) {
- splice @errortypes, --$i, 1
- if $seen4 {$errortypes[$i++]}++;
- }
-
- print "associated dihedral type/s\n";
- print "@errortypes\n";
-
-# ------------ Add new dihedral types for the mis-assigned dihedrals -----------
-
- print "\nWriting \"corrected_$project.data\"...\n\n";
- open(REWRITE,"> corrected_$project.data")
- or die "Can not write file \"corrected_$project.data\"!\n";
-
- my $counter3 = 0;
- my $fix_start = $splice_onset_dihe_coeff + $ntyp + 1;
- my $new_ntyp = $ntyp + $#errortypes +1;
-
- foreach $line (@raw_data) {
- # update header information
- if ($line =~ m/dihedral types/) {
- $line =~ s/$ntyp/$new_ntyp/;
- }
-
- $counter3++;
- printf(REWRITE "$line\n");
- if ($counter3 == $fix_start) { last }
- }
-
- my @newtypes;
- for (my $i = 0; $i <= $#errortypes; $i++) {
- $ntyp++;
- printf(REWRITE "%8d %10.7g %10d %10d 1\n",
- $ntyp,
- ${$dihedral_coeff_matrix[$errortypes[$i]]}[1],
- ${$dihedral_coeff_matrix[$errortypes[$i]]}[2],
- ${$dihedral_coeff_matrix[$errortypes[$i]]}[3]);
- print "New dihedral type $ntyp added\n";
- push(@newtypes,$ntyp);
- }
-
-# ------------ Assign the wrong dihedrals with the new types ----------------
-
- print "\nCorrecting the mis-assigned dihedrals...\n\n";
-
- printf(REWRITE "$raw_data[$splice_onset_dihe - 2]\n");
- printf(REWRITE "$raw_data[$splice_onset_dihe - 1]\n");
-
- # Overwrite the wrong dihedrals in the dihedral list (section "Dihedrals")
- my $counter3 = -1;
- my $write_flag = 0;
- my @temp_line;
-
- for ($j = $splice_onset_dihe; $j <= $#raw_data; $j++) {
- $counter3++;
- for (my $i = 0; $i <= $#errorlist; $i++) {
- if ($counter3 == $errorlist[$i]) {
- @temp_line = split(" ",$raw_data[$j]);
- for (my $k = 0; $k <= $#errortypes; $k++) {
- if ($temp_line[1] == $errortypes[$k]) {
- printf(REWRITE "%8d %7d %7d %7d %7d %7d\n",
- ${$dihedral_matrix[$errorlist[$i]]}[0],
- $newtypes[$k],
- ${$dihedral_matrix[$errorlist[$i]]}[2],
- ${$dihedral_matrix[$errorlist[$i]]}[3],
- ${$dihedral_matrix[$errorlist[$i]]}[4],
- ${$dihedral_matrix[$errorlist[$i]]}[5]);
- print "Dihedral No. ${$dihedral_matrix[$errorlist[$i]]}[0] corrected\n";
- $write_flag = 1;
- }
- }
- }
- }
- if ($write_flag == 0) { printf(REWRITE "$raw_data[$j]\n");}
- $write_flag = 0;
- }
-
- print "\nDONE!\n";
-
- close(REWRITE);
-
-# End of the subroutine
-}
-
-# ----------------------- DESCRIPTION: sub CharmmCmap ------------------------ #
-# This subroutine add a new section "CMAP" to the LAMMPS data file, which #
-# a part of the implementation of "CHARMM CMAP" (see references) in LAMMPS. #
-# The section "CMAP" contains a list of dihedral ID pairs from adjecent #
-# peptide backtone dihedrals whose dihedral angles are corrresponding to PHI #
-# and PSI. (PHI: C--N--C_aphla_C and PSI: N--C_alpha--C--N) #
-# #
-# By: Xiaohu Hu (hux2@ornl.gov) #
-# May 2009 #
-# #
-# Modified May 2013 by: Robert Latour (latourr@clemson.edu) and #
-# Chris Lorenz (chris.lorenz@kcl.ac.uk #
-# #
-# References: #
-# - MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of #
-# Protein Backbone Conformational in Empirical Force Fields, J. Am. Chem. #
-# Soc. 126(2004): 698-699. #
-# - MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Extending the Treatment #
-# of Backbone Energetics in Protein Force Fields: Limitations of Gas-Phase #
-# Quantum Mechnacis in Reproducing Protein Conformational Distributions in #
-# Molecular Dynamics Simulations, J. Comput. Chem. 25(2004): 1400-1415. #
-# ---------------------------------------------------------------------------- #
-
-sub CharmmCmap
-{
+ # ----------------------- DESCRIPTION: sub CharmmCmap ------------------------ #
+ # This subroutine add a new section "CMAP" to the LAMMPS data file, which #
+ # a part of the implementation of "CHARMM CMAP" (see references) in LAMMPS. #
+ # The section "CMAP" contains a list of dihedral ID pairs from adjecent #
+ # peptide backtone dihedrals whose dihedral angles are corrresponding to PHI #
+ # and PSI. (PHI: C--N--C_aphla_C and PSI: N--C_alpha--C--N) #
+ # #
+ # Initiated by: Xiaohu Hu (hux2@ornl.gov) #
+ # May 2009 #
+ # #
+ # Finalized Oct 2016 by: Robert Latour (latourr@clemson.edu), #
+ # David Hyde-Volpe, and Tigran Abramyan, Clemson University, #
+ # and Chris Lorenz (chris.lorenz@kcl.ac.uk #
+ # #
+ # References: #
+ # - MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Improved Treatment of #
+ # Protein Backbone Conformational in Empirical Force Fields, J. Am. Chem. #
+ # Soc. 126(2004): 698-699. #
+ # - MacKerell, A.D., Jr., Feig, M., Brooks, C.L., III, Extending the Treatment #
+ # of Backbone Energetics in Protein Force Fields: Limitations of Gas-Phase #
+ # Quantum Mechnacis in Reproducing Protein Conformational Distributions in #
+ # Molecular Dynamics Simulations, J. Comput. Chem. 25(2004): 1400-1415. #
+ # ---------------------------------------------------------------------------- #
+
+ sub CharmmCmap
+ {
print "\nINITIATING CHARMM CMAP SUBROUTINE...\n\n";
# Reread and analyse $project.data
@@ -2080,7 +1664,7 @@ sub CharmmCmap
# ...
#
# Criteria to be a PHI/PSI dihedral pair:
- # 1. Atoms have to match with the mass/charge constellations as
+ # 1. Atoms have to match with the mass/charge constellations as
# defined above.
# 2. The atoms N--CA--C needs to be covalently bonded with each
# other.
@@ -2150,7 +1734,7 @@ sub CharmmCmap
my $N_PRO_counter = 0;
my $C_flag = 0;
-
+
for (my $i = 0; $i <= $natom_number; $i++) {
my $cur_type = ${$atoms_matrix[$i]}[2];
my $cur_charge = ${$atoms_matrix[$i]}[3];
@@ -2193,8 +1777,8 @@ sub CharmmCmap
}
# Quit if one of the atom types dosen't exist
- if ( $C_counter == 0 or
- ($CA_counter == 0 and $CA_GLY_counter == 0 and $CA_PRO_counter == 0) or
+ if ( $C_counter == 0 or
+ ($CA_counter == 0 and $CA_GLY_counter == 0 and $CA_PRO_counter == 0) or
($N_counter == 0 and $N_PRO_counter == 0) ) {
if ($C_counter == 0) {
print "\nCannot find the peptide backbone C atom type\n";
@@ -2230,21 +1814,21 @@ sub CharmmCmap
my $cur_atom4_type = ${atoms_matrix[${dihedrals_matrix[$i]}[5]-1]}[2];
next if (${dihedrals_matrix[$i]}[2] == ${dihedrals_matrix[$i-1]}[2] and
- ${dihedrals_matrix[$i]}[3] == ${dihedrals_matrix[$i-1]}[3] and
+ ${dihedrals_matrix[$i]}[3] == ${dihedrals_matrix[$i-1]}[3] and
${dihedrals_matrix[$i]}[4] == ${dihedrals_matrix[$i-1]}[4] and
${dihedrals_matrix[$i]}[5] == ${dihedrals_matrix[$i-1]}[5]);
# Determine PHI-dihedrals; If C-CA-N-C or C-N-CA-C, then save it in a list
if ($cur_atom1_type == $C_type and $cur_atom4_type == $C_type) {
- if ( ( ($cur_atom2_type == $CA_type or
+ if ( ( ($cur_atom2_type == $CA_type or
$cur_atom2_type == $CA_GLY_type or
- $cur_atom2_type == $CA_PRO_type) and
+ $cur_atom2_type == $CA_PRO_type) and
($cur_atom3_type == $N_type or
- $cur_atom3_type == $N_PRO_type) ) or
- ( ($cur_atom3_type == $CA_type or
+ $cur_atom3_type == $N_PRO_type) ) or
+ ( ($cur_atom3_type == $CA_type or
$cur_atom3_type == $CA_GLY_type or
- $cur_atom3_type == $CA_PRO_type) and
- ($cur_atom2_type == $N_type or
+ $cur_atom3_type == $CA_PRO_type) and
+ ($cur_atom2_type == $N_type or
$cur_atom2_type == $N_PRO_type) ) ) {
push (@PHI_dihedrals,$cur_dihe_ID);
$PHI_counter++;
@@ -2253,17 +1837,17 @@ sub CharmmCmap
# Determin PSI-dihedrals; If N-CA-C-N or N-C-CA-N (N can be both normal N or N proline),
# then save it in a list
- if ( ($cur_atom1_type == $N_type and $cur_atom4_type == $N_type) or
+ if ( ($cur_atom1_type == $N_type and $cur_atom4_type == $N_type) or
($cur_atom4_type == $N_PRO_type and $cur_atom1_type == $N_PRO_type) or
($cur_atom1_type == $N_type and $cur_atom4_type == $N_PRO_type) or
($cur_atom4_type == $N_type and $cur_atom1_type == $N_PRO_type) ) {
- if ( ( ($cur_atom2_type == $CA_type or
+ if ( ( ($cur_atom2_type == $CA_type or
$cur_atom2_type == $CA_GLY_type or
- $cur_atom2_type == $CA_PRO_type) and
+ $cur_atom2_type == $CA_PRO_type) and
$cur_atom3_type == $C_type) or
- ( ($cur_atom3_type == $CA_type or
- $cur_atom3_type == $CA_GLY_type or
- $cur_atom3_type == $CA_PRO_type) and
+ ( ($cur_atom3_type == $CA_type or
+ $cur_atom3_type == $CA_GLY_type or
+ $cur_atom3_type == $CA_PRO_type) and
$cur_atom2_type == $C_type) ) {
push (@PSI_dihedrals,$cur_dihe_ID);
$PSI_counter++;
@@ -2287,7 +1871,7 @@ sub CharmmCmap
#
# The algorithm:
# _____
- # | |
+ # | |
# 1--2--3--4 PHI-dihedral
# 4--3--2--1
# --C--N-CA--C--N-- Peptide backbone
@@ -2303,7 +1887,7 @@ sub CharmmCmap
# if (2--3--4) = (4--3--2)
# or
# if (3--2--1) = (1--2--3)
- # or
+ # or
# if (3--2--1) = (4--3--2),
#
# then these 2 dihedrals are a PHI/PSI pair. If a pair is found, the
@@ -2356,7 +1940,7 @@ sub CharmmCmap
if ($crossterm_CA_charge == $charge_CA) { $crossterm_type = 1; $crossterm_type1_flag = 1; }
if ($crossterm_CA_charge == $charge_CA_GLY) { $crossterm_type = 5; $crossterm_type5_flag = 1; }
- if ($crossterm_CA_charge == $charge_CA_PRO) {
+ if ($crossterm_CA_charge == $charge_CA_PRO) {
$crossterm_type = 3; $crossterm_type3_flag = 1;
# Checking the last crossterm, re-assign the last crossterm type if needed
if ($crossterm_counter-1 >= 0 and $PHI_PSI_matrix[$crossterm_counter-1][0] == 1) {
@@ -2414,7 +1998,7 @@ sub CharmmCmap
print "acid abbreviation for that amino acid, and <#2> is the molecule number\n";
print "of the terminal amino acid residue.\n\n";
print "For example, if the last atom of the last amino acid in the peptide\n";
- print "sequence is listed in the pdb file as:\n\n";
+ print "sequence is listed in the pdb file as:\n\n";
print " 'ATOM 853 O GLU P 56 12.089 -1.695 -6.543 1.00 1.03 PROA'\n\n";
print "you would insert the following line after it:\n\n";
print " 'TER 854 GLU 56'\n\n";
@@ -2432,7 +2016,7 @@ sub CharmmCmap
# Print out PHI/PSI diheral pair list
my $pair_counter = 0;
# Don't presently use $ncrosstermtypes but have this available if wish to print it out
- my $ncrosstermtypes = $crossterm_type1_flag + $crossterm_type2_flag + $crossterm_type3_flag +
+ my $ncrosstermtypes = $crossterm_type1_flag + $crossterm_type2_flag + $crossterm_type3_flag +
$crossterm_type4_flag + $crossterm_type5_flag + $crossterm_type6_flag;
print "\nWriting \"$project.data\" with section \"CMAP crossterms\" added at the end.\n";
@@ -2458,10 +2042,7 @@ sub CharmmCmap
printf(REWRITE "\n");
}
close(REWRITE);
-
print "\nDone!\n\n";
-
-# End of the CharmmCmap subroutine
}
# main
@@ -2470,6 +2051,4 @@ sub CharmmCmap
WriteData();
WriteLAMMPSInput();
printf("Info: conversion complete\n\n") if ($info);
- DihedralCorrect6Ring() if ($cdihedral);
CharmmCmap() if ($cmap);
-
diff --git a/tools/ch2lmp/example/1ac7.data b/tools/ch2lmp/example/1ac7.data
index 034d455d9161a107513fca789b5ca2655ea0032d..bb68c45391fc789aa76203bf313c86cb09a867f4 100644
--- a/tools/ch2lmp/example/1ac7.data
+++ b/tools/ch2lmp/example/1ac7.data
@@ -1,4 +1,4 @@
-Created by charmm2lammps v1.6.2 on Fri Jun 3 14:07:02 MDT 2005
+LAMMPS data file. CGCMM Style. atom_style full. Created by charmm2lammps v1.9.0 on Mon Oct 3 06:55:39 EDT 2016
1968 atoms
1516 bonds
@@ -58,2080 +58,2080 @@ Masses
38 22.98977 # SOD
39 35.45 # CLA
-Pair Coeffs
+Pair Coeffs # lj/charmm/coul/long
- 1 0.046 0.4000135 0.046 0.4000135 # HT
- 2 0.046 0.4000135 0.046 0.4000135 # HN1
- 3 0.046 0.4000135 0.046 0.4000135 # HN2
- 4 0.046 1.959977 0.046 1.959977 # HN3
- 5 0.046 0.4000135 0.046 0.4000135 # HN5
- 6 0.022 2.351973 0.022 2.351973 # HN7
- 7 0.028 2.387609 0.028 2.387609 # HN8
- 8 0.024 2.387609 0.024 2.387609 # HN9
- 9 0.1 3.385415 0.1 3.385415 # CN1
- 10 0.1 3.385415 0.1 3.385415 # CN1T
- 11 0.1 3.385415 0.1 3.385415 # CN2
- 12 0.09 3.385415 0.09 3.385415 # CN3
- 13 0.09 3.385415 0.09 3.385415 # CN3T
- 14 0.075 3.385415 0.075 3.385415 # CN4
- 15 0.075 3.385415 0.075 3.385415 # CN5
- 16 0.075 3.385415 0.075 3.385415 # CN5G
- 17 0.02 4.053589 0.01 3.385415 # CN7
- 18 0.02 4.053589 0.01 3.385415 # CN7B
- 19 0.056 3.581413 0.01 3.385415 # CN8B
- 20 0.078 3.634867 0.01 3.385415 # CN9
- 21 0.2 3.296325 0.2 3.296325 # NN1
- 22 0.2 3.296325 0.2 3.296325 # NN2
- 23 0.2 3.296325 0.2 3.296325 # NN2B
- 24 0.2 3.296325 0.2 3.296325 # NN2U
- 25 0.2 3.296325 0.2 3.296325 # NN2G
- 26 0.2 3.296325 0.2 3.296325 # NN3
- 27 0.2 3.296325 0.2 3.296325 # NN3A
- 28 0.2 3.296325 0.2 3.296325 # NN3G
- 29 0.2 3.296325 0.2 3.296325 # NN4
- 30 0.1521 3.150574 0.1521 3.150574 # OT
- 31 0.12 3.029056 0.12 3.029056 # ON1
- 32 0.12 3.029056 0.12 3.029056 # ON1C
- 33 0.1521 3.153781 0.1521 3.153781 # ON2
- 34 0.12 3.029056 0.12 3.029056 # ON3
- 35 0.1521 3.153781 0.1521 3.153781 # ON5
- 36 0.1521 3.153781 0.1521 3.153781 # ON6B
- 37 0.585 3.830864 0.585 3.830864 # P
- 38 0.0469 2.429926 0.0469 2.429926 # SOD
- 39 0.15 4.04468 0.15 4.04468 # CLA
+ 1 0.046 0.400013524445 0.046 0.400013524445 # HT
+ 2 0.046 0.400013524445 0.046 0.400013524445 # HN1
+ 3 0.046 0.400013524445 0.046 0.400013524445 # HN2
+ 4 0.046 1.95997717991 0.046 1.95997717991 # HN3
+ 5 0.046 0.400013524445 0.046 0.400013524445 # HN5
+ 6 0.022 2.35197261589 0.022 2.35197261589 # HN7
+ 7 0.028 2.38760856462 0.028 2.38760856462 # HN8
+ 8 0.024 2.38760856462 0.024 2.38760856462 # HN9
+ 9 0.1 3.38541512893 0.1 3.38541512893 # CN1
+ 10 0.1 3.38541512893 0.1 3.38541512893 # CN1T
+ 11 0.1 3.38541512893 0.1 3.38541512893 # CN2
+ 12 0.09 3.38541512893 0.09 3.38541512893 # CN3
+ 13 0.09 3.38541512893 0.09 3.38541512893 # CN3T
+ 14 0.075 3.38541512893 0.075 3.38541512893 # CN4
+ 15 0.075 3.38541512893 0.075 3.38541512893 # CN5
+ 16 0.075 3.38541512893 0.075 3.38541512893 # CN5G
+ 17 0.02 4.05358916754 0.01 3.38541512893 # CN7
+ 18 0.02 4.05358916754 0.01 3.38541512893 # CN7B
+ 19 0.056 3.58141284692 0.01 3.38541512893 # CN8B
+ 20 0.078 3.63486677001 0.01 3.38541512893 # CN9
+ 21 0.2 3.29632525712 0.2 3.29632525712 # NN1
+ 22 0.2 3.29632525712 0.2 3.29632525712 # NN2
+ 23 0.2 3.29632525712 0.2 3.29632525712 # NN2B
+ 24 0.2 3.29632525712 0.2 3.29632525712 # NN2U
+ 25 0.2 3.29632525712 0.2 3.29632525712 # NN2G
+ 26 0.2 3.29632525712 0.2 3.29632525712 # NN3
+ 27 0.2 3.29632525712 0.2 3.29632525712 # NN3A
+ 28 0.2 3.29632525712 0.2 3.29632525712 # NN3G
+ 29 0.2 3.29632525712 0.2 3.29632525712 # NN4
+ 30 0.1521 3.15057422683 0.1521 3.15057422683 # OT
+ 31 0.12 3.02905564168 0.12 3.02905564168 # ON1
+ 32 0.12 3.02905564168 0.12 3.02905564168 # ON1C
+ 33 0.1521 3.15378146222 0.1521 3.15378146222 # ON2
+ 34 0.12 3.02905564168 0.12 3.02905564168 # ON3
+ 35 0.1521 3.15378146222 0.1521 3.15378146222 # ON5
+ 36 0.1521 3.15378146222 0.1521 3.15378146222 # ON6B
+ 37 0.585 3.830864488 0.585 3.830864488 # P
+ 38 0.0469 2.42992625373 0.0469 2.42992625373 # SOD
+ 39 0.15 4.04468018036 0.15 4.04468018036 # CLA
-Atoms
+Atoms # full
- 1 1 37 1.5 3.759 0.457 0.076 # P
- 2 1 34 -0.78 2.779 0.279 0.171 # ON3
- 3 1 34 -0.78 4.489 -0.205 0.246 # ON3
- 4 1 33 -0.57 3.969 1.972 -0.393 # ON2
- 5 1 19 -0.08 5.044 2.279 -1.29 # CN8B
- 6 1 7 0.09 4.671 2.29 -2.305 # HN8
- 7 1 7 0.09 5.816 1.501 -1.189 # HN8
- 8 1 17 0.16 5.648 3.651 -1.028 # CN7
- 9 1 6 0.09 6.646 3.694 -1.462 # HN7
- 10 1 36 -0.5 4.831 4.694 -1.619 # ON6B
- 11 1 18 0.16 4.388 5.605 -0.589 # CN7B
- 12 1 6 0.09 4.979 6.519 -0.638 # HN7
- 13 1 22 -0.05 2.96 5.94 -0.745 # NN2
- 14 1 15 0.28 1.063 7.037 -0.974 # CN5
- 15 1 29 -0.71 0.73 5.679 -1.026 # NN4
- 16 1 14 0.34 1.887 5.123 -0.884 # CN4
- 17 1 4 0.12 1.997 4.038 -0.875 # HN3
- 18 1 27 -0.74 0.95 9.38 -0.971 # NN3A
- 19 1 14 0.5 2.273 9.407 -0.803 # CN4
- 20 1 4 0.13 2.731 10.392 -0.73 # HN3
- 21 1 27 -0.75 3.091 8.365 -0.708 # NN3A
- 22 1 15 0.43 2.417 7.202 -0.802 # CN5
- 23 1 11 0.46 0.298 8.207 -1.063 # CN2
- 24 1 21 -0.77 -1.022 8.204 -1.236 # NN1
- 25 1 2 0.38 -1.526 9.077 -1.294 # HN1
- 26 1 2 0.38 -1.52 7.328 -1.309 # HN1
- 27 1 18 0.14 4.646 4.918 0.727 # CN7B
- 28 1 6 0.09 4.989 5.649 1.459 # HN7
- 29 1 35 -0.66 5.086 5.931 1.621 # ON5
- 30 1 5 0.43 3.741 4.398 1.062 # HN5
- 31 1 17 0.01 5.735 3.93 0.467 # CN7
- 32 1 6 0.09 5.546 3.013 1.029 # HN7
- 33 1 33 -0.57 7.011 4.478 0.823 # ON2
- 34 2 37 1.5 7.364 4.806 2.358 # P
- 35 2 34 -0.78 8.839 4.776 2.53 # ON3
- 36 2 34 -0.78 6.515 3.962 3.238 # ON3
- 37 2 33 -0.57 6.861 6.33 2.454 # ON2
- 38 2 19 -0.08 7.276 7.297 1.48 # CN8B
- 39 2 7 0.09 6.804 7.074 0.532 # HN8
- 40 2 7 0.09 8.368 7.233 1.371 # HN8
- 41 2 17 0.16 6.873 8.719 1.849 # CN7
- 42 2 6 0.09 7.506 9.419 1.306 # HN7
- 43 2 36 -0.5 5.486 8.978 1.507 # ON6B
- 44 2 18 0.16 4.768 9.415 2.684 # CN7B
- 45 2 6 0.09 4.665 10.5 2.653 # HN7
- 46 2 23 -0.34 3.423 8.799 2.747 # NN2B
- 47 2 12 0.17 3.266 7.442 2.852 # CN3
- 48 2 4 0.17 4.14 6.814 2.982 # HN3
- 49 2 10 0.51 2.337 9.639 2.626 # CN1T
- 50 2 31 -0.41 2.458 10.86 2.552 # ON1
- 51 2 24 -0.46 1.099 9.029 2.606 # NN2U
- 52 2 3 0.36 0.308 9.625 2.509 # HN2
- 53 2 9 0.5 0.851 7.673 2.697 # CN1
- 54 2 31 -0.45 -0.302 7.243 2.661 # ON1
- 55 2 13 -0.15 2.045 6.871 2.827 # CN3T
- 56 2 20 -0.11 1.928 5.354 2.91 # CN9
- 57 2 8 0.07 1.213 5.085 3.678 # HN9
- 58 2 8 0.07 2.903 4.926 3.15 # HN9
- 59 2 8 0.07 1.589 4.964 1.96 # HN9
- 60 2 18 0.14 5.626 9.038 3.865 # CN7B
- 61 2 6 0.09 5.564 9.815 4.63 # HN7
- 62 2 35 -0.66 5.49 10.094 4.806 # ON5
- 63 2 5 0.43 5.324 8.059 4.256 # HN5
- 64 2 17 0.01 7.025 8.967 3.345 # CN7
- 65 2 6 0.09 7.553 8.132 3.808 # HN7
- 66 2 33 -0.57 7.719 10.196 3.596 # ON2
- 67 3 37 1.5 7.98 10.697 5.1 # P
- 68 3 34 -0.78 9.28 11.413 5.15 # ON3
- 69 3 34 -0.78 7.737 9.569 6.034 # ON3
- 70 3 33 -0.57 6.789 11.768 5.253 # ON2
- 71 3 19 -0.08 6.72 12.904 4.38 # CN8B
- 72 3 7 0.09 6.534 12.568 3.369 # HN8
- 73 3 7 0.09 7.686 13.43 4.42 # HN8
- 74 3 17 0.16 5.593 13.866 4.739 # CN7
- 75 3 6 0.09 5.709 14.779 4.157 # HN7
- 76 3 36 -0.5 4.292 13.29 4.45 # ON6B
- 77 3 18 0.16 3.465 13.339 5.637 # CN7B
- 78 3 6 0.09 2.791 14.192 5.565 # HN7
- 79 3 22 -0.13 2.672 12.098 5.79 # NN2
- 80 3 12 0.05 3.282 10.889 5.955 # CN3
- 81 3 4 0.17 4.365 10.84 6.032 # HN3
- 82 3 12 -0.13 2.559 9.76 6.045 # CN3
- 83 3 4 0.07 3.039 8.789 6.164 # HN3
- 84 3 9 0.52 1.294 12.207 5.721 # CN1
- 85 3 32 -0.49 0.763 13.308 5.588 # ON1C
- 86 3 26 -0.66 0.558 11.072 5.813 # NN3
- 87 3 11 0.65 1.14 9.878 5.968 # CN2
- 88 3 21 -0.75 0.379 8.788 6.044 # NN1
- 89 3 2 0.37 0.806 7.88 6.157 # HN1
- 90 3 2 0.33 -0.626 8.869 5.991 # HN1
- 91 3 18 0.14 4.407 13.552 6.796 # CN7B
- 92 3 6 0.09 3.94 14.214 7.534 # HN7
- 93 3 35 -0.66 3.733 14.417 7.7 # ON5
- 94 3 5 0.43 4.689 12.59 7.236 # HN5
- 95 3 17 0.01 5.616 14.221 6.221 # CN7
- 96 3 6 0.09 6.518 13.815 6.685 # HN7
- 97 3 33 -0.57 5.555 15.639 6.408 # ON2
- 98 4 37 1.5 5.538 16.275 7.882 # P
- 99 4 34 -0.78 6.177 17.615 7.835 # ON3
- 100 4 34 -0.78 6.033 15.266 8.851 # ON3
- 101 4 33 -0.57 3.955 16.462 8.083 # ON2
- 102 4 19 -0.08 3.157 17.011 7.025 # CN8B
- 103 4 7 0.09 3.112 16.305 6.208 # HN8
- 104 4 7 0.09 3.632 17.942 6.682 # HN8
- 105 4 17 0.16 1.722 17.289 7.449 # CN7
- 106 4 6 0.09 1.321 18.095 6.835 # HN7
- 107 4 36 -0.5 0.888 16.113 7.28 # ON6B
- 108 4 18 0.16 0.232 15.803 8.531 # CN7B
- 109 4 6 0.09 -0.791 16.175 8.498 # HN7
- 110 4 22 -0.13 0.215 14.343 8.782 # NN2
- 111 4 12 0.05 1.375 13.644 8.967 # CN3
- 112 4 4 0.17 2.327 14.165 8.951 # HN3
- 113 4 12 -0.13 1.351 12.313 9.169 # CN3
- 114 4 4 0.07 2.272 11.748 9.314 # HN3
- 115 4 9 0.52 -1.018 13.712 8.8 # CN1
- 116 4 32 -0.49 -2.05 14.359 8.636 # ON1C
- 117 4 26 -0.66 -1.049 12.37 9.003 # NN3
- 118 4 11 0.65 0.078 11.668 9.183 # CN2
- 119 4 21 -0.75 0.01 10.348 9.372 # NN1
- 120 4 2 0.37 0.855 9.814 9.502 # HN1
- 121 4 2 0.33 -0.885 9.881 9.386 # HN1
- 122 4 18 0.14 0.992 16.545 9.602 # CN7B
- 123 4 6 0.09 0.293 16.923 10.35 # HN7
- 124 4 35 -0.66 0.02 17 10.533 # ON5
- 125 4 5 0.43 1.751 15.896 10.049 # HN5
- 126 4 17 0.01 1.648 17.697 8.914 # CN7
- 127 4 6 0.09 2.656 17.837 9.31 # HN7
- 128 4 33 -0.57 0.881 18.892 9.085 # ON2
- 129 5 37 1.5 0.647 19.496 10.554 # P
- 130 5 34 -0.78 0.561 20.975 10.457 # ON3
- 131 5 34 -0.78 1.626 18.884 11.487 # ON3
- 132 5 33 -0.57 -0.815 18.907 10.868 # ON2
- 133 5 19 -0.08 -1.928 19.273 10.041 # CN8B
- 134 5 7 0.09 -1.694 19.051 9.009 # HN8
- 135 5 7 0.09 -2.101 20.352 10.155 # HN8
- 136 5 17 0.16 -3.2 18.507 10.381 # CN7
- 137 5 6 0.09 -3.974 18.774 9.662 # HN7
- 138 5 36 -0.5 -2.989 17.071 10.326 # ON6B
- 139 5 18 0.16 -3.41 16.473 11.574 # CN7B
- 140 5 6 0.09 -4.409 16.057 11.449 # HN7
- 141 5 23 -0.34 -2.482 15.396 11.992 # NN2B
- 142 5 12 0.17 -1.153 15.644 12.196 # CN3
- 143 5 4 0.17 -0.79 16.668 12.147 # HN3
- 144 5 10 0.51 -3 14.117 12.096 # CN1T
- 145 5 31 -0.41 -4.196 13.881 11.943 # ON1
- 146 5 24 -0.46 -2.094 13.117 12.403 # NN2U
- 147 5 3 0.36 -2.449 12.182 12.472 # HN2
- 148 5 9 0.5 -0.742 13.28 12.614 # CN1
- 149 5 31 -0.45 -0.032 12.308 12.873 # ON1
- 150 5 13 -0.15 -0.289 14.648 12.492 # CN3T
- 151 5 20 -0.11 1.191 14.967 12.669 # CN9
- 152 5 8 0.07 1.55 14.53 13.594 # HN9
- 153 5 8 0.07 1.333 16.047 12.693 # HN9
- 154 5 8 0.07 1.751 14.549 11.843 # HN9
- 155 5 18 0.14 -3.465 17.594 12.579 # CN7B
- 156 5 6 0.09 -4.306 17.435 13.264 # HN7
- 157 5 35 -0.66 -4.58 17.322 13.417 # ON5
- 158 5 5 0.43 -2.511 17.661 13.116 # HN5
- 159 5 17 0.01 -3.691 18.844 11.781 # CN7
- 160 5 6 0.09 -3.096 19.66 12.197 # HN7
- 161 5 33 -0.57 -5.077 19.199 11.761 # ON2
- 162 6 37 1.5 -5.692 20.169 12.882 # P
- 163 6 34 -0.78 -6.683 21.072 12.244 # ON3
- 164 6 34 -0.78 -4.583 20.752 13.678 # ON3
- 165 6 33 -0.57 -6.471 19.094 13.785 # ON2
- 166 6 19 -0.08 -7.541 18.319 13.232 # CN8B
- 167 6 7 0.09 -7.211 17.85 12.315 # HN8
- 168 6 7 0.09 -8.386 18.991 13.021 # HN8
- 169 6 17 0.16 -7.985 17.203 14.162 # CN7
- 170 6 6 0.09 -8.974 16.858 13.863 # HN7
- 171 6 36 -0.5 -7.06 16.084 14.109 # ON6B
- 172 6 18 0.16 -6.626 15.77 15.448 # CN7B
- 173 6 6 0.09 -7.241 14.954 15.831 # HN7
- 174 6 22 -0.05 -5.206 15.361 15.499 # NN2
- 175 6 15 0.28 -3.38 14.152 15.741 # CN5
- 176 6 29 -0.71 -2.949 15.48 15.662 # NN4
- 177 6 14 0.34 -4.07 16.107 15.522 # CN4
- 178 6 4 0.12 -4.1 17.19 15.422 # HN3
- 179 6 27 -0.74 -3.441 11.818 15.931 # NN3A
- 180 6 14 0.5 -4.769 11.882 15.816 # CN4
- 181 6 4 0.13 -5.306 10.937 15.837 # HN3
- 182 6 27 -0.75 -5.509 12.969 15.668 # NN3A
- 183 6 15 0.43 -4.749 14.077 15.638 # CN5
- 184 6 11 0.46 -2.701 12.939 15.9 # CN2
- 185 6 21 -0.77 -1.379 12.855 16.045 # NN1
- 186 6 2 0.38 -0.941 11.951 16.157 # HN1
- 187 6 2 0.38 -0.816 13.693 16.045 # HN1
- 188 6 18 0.14 -6.89 17.001 16.274 # CN7B
- 189 6 6 0.09 -7.162 16.715 17.291 # HN7
- 190 6 35 -0.66 -7.256 16.544 17.569 # ON5
- 191 6 5 0.43 -6.014 17.659 16.261 # HN5
- 192 6 17 0.01 -8.041 17.687 15.608 # CN7
- 193 6 6 0.09 -7.903 18.77 15.646 # HN7
- 194 6 33 -0.57 -9.285 17.318 16.221 # ON2
- 195 7 37 1.5 -9.843 18.105 17.507 # P
- 196 7 34 -0.78 -11.229 18.561 17.226 # ON3
- 197 7 34 -0.78 -8.828 19.1 17.939 # ON3
- 198 7 33 -0.57 -9.897 16.91 18.585 # ON2
- 199 7 19 -0.08 -10.177 15.56 18.181 # CN8B
- 200 7 7 0.09 -9.745 15.381 17.207 # HN8
- 201 7 7 0.09 -11.27 15.426 18.114 # HN8
- 202 7 17 0.16 -9.561 14.522 19.125 # CN7
- 203 7 6 0.09 -10.025 13.556 18.935 # HN7
- 204 7 36 -0.5 -8.133 14.405 18.887 # ON6B
- 205 7 18 0.16 -7.41 14.638 20.119 # CN7B
- 206 7 6 0.09 -7.083 13.684 20.529 # HN7
- 207 7 23 -0.02 -6.233 15.5 19.896 # NN2B
- 208 7 15 0.26 -4.911 15.108 19.923 # CN5
- 209 7 21 -0.68 -2.51 12.617 20.326 # NN1
- 210 7 2 0.32 -1.501 12.565 20.299 # HN1
- 211 7 2 0.35 -3.053 11.785 20.505 # HN1
- 212 7 28 -0.74 -4.458 13.854 20.155 # NN3G
- 213 7 11 0.75 -3.123 13.783 20.119 # CN2
- 214 7 25 -0.34 -2.305 14.867 19.874 # NN2G
- 215 7 3 0.26 -1.305 14.73 19.867 # HN2
- 216 7 9 0.54 -2.744 16.163 19.632 # CN1
- 217 7 31 -0.51 -1.932 17.06 19.42 # ON1
- 218 7 16 0 -4.162 16.248 19.668 # CN5G
- 219 7 29 -0.6 -4.998 17.354 19.481 # NN4
- 220 7 14 0.25 -6.168 16.829 19.63 # CN4
- 221 7 4 0.16 -7.071 17.433 19.552 # HN3
- 222 7 18 0.14 -8.383 15.282 21.074 # CN7B
- 223 7 6 0.09 -8.214 14.899 22.086 # HN7
- 224 7 35 -0.66 -8.103 14.731 22.354 # ON5
- 225 7 5 0.43 -8.286 16.373 21.035 # HN5
- 226 7 17 0.01 -9.744 14.878 20.608 # CN7
- 227 7 6 0.09 -10.429 15.719 20.727 # HN7
- 228 7 33 -0.57 -10.214 13.747 21.352 # ON2
- 229 8 37 1.5 -10.47 13.861 22.933 # P
- 230 8 34 -0.78 -11.662 13.049 23.287 # ON3
- 231 8 34 -0.78 -10.423 15.292 23.326 # ON3
- 232 8 33 -0.57 -9.152 13.125 23.489 # ON2
- 233 8 19 -0.08 -9.105 11.695 23.588 # CN8B
- 234 8 7 0.09 -9.468 11.262 22.666 # HN8
- 235 8 7 0.09 -9.754 11.381 24.418 # HN8
- 236 8 17 0.16 -7.687 11.168 23.791 # CN7
- 237 8 6 0.09 -7.609 10.181 23.338 # HN7
- 238 8 36 -0.5 -6.715 12.044 23.168 # ON6B
- 239 8 18 0.16 -5.719 12.435 24.137 # CN7B
- 240 8 6 0.09 -4.826 11.809 24 # HN7
- 241 8 23 -0.34 -5.347 13.86 23.988 # NN2B
- 242 8 12 0.17 -6.259 14.865 24.197 # CN3
- 243 8 4 0.17 -7.285 14.614 24.463 # HN3
- 244 8 10 0.51 -4.038 14.136 23.637 # CN1T
- 245 8 31 -0.41 -3.212 13.247 23.443 # ON1
- 246 8 24 -0.46 -3.711 15.473 23.513 # NN2U
- 247 8 3 0.36 -2.758 15.688 23.257 # HN2
- 248 8 9 0.5 -4.564 16.543 23.707 # CN1
- 249 8 31 -0.45 -4.163 17.697 23.57 # ON1
- 250 8 13 -0.15 -5.91 16.163 24.071 # CN3T
- 251 8 20 -0.11 -6.952 17.25 24.322 # CN9
- 252 8 8 0.07 -7.951 16.823 24.241 # HN9
- 253 8 8 0.07 -6.834 18.044 23.584 # HN9
- 254 8 8 0.07 -6.813 17.662 25.322 # HN9
- 255 8 18 0.14 -6.324 12.155 25.493 # CN7B
- 256 8 6 0.09 -5.551 11.817 26.188 # HN7
- 257 8 35 -0.66 -5.259 11.702 26.317 # ON5
- 258 8 5 0.43 -6.834 13.05 25.864 # HN5
- 259 8 17 0.01 -7.326 11.065 25.272 # CN7
- 260 8 6 0.09 -8.207 11.245 25.89 # HN7
- 261 8 33 -0.57 -6.76 9.782 25.572 # ON2
- 262 9 37 1.5 -6.511 9.33 27.094 # P
- 263 9 34 -0.78 -6.391 7.851 27.145 # ON3
- 264 9 34 -0.78 -7.505 10.007 27.965 # ON3
- 265 9 33 -0.57 -5.064 9.98 27.352 # ON2
- 266 9 19 -0.08 -3.88 9.385 26.799 # CN8B
- 267 9 7 0.09 -4.151 8.5 26.239 # HN8
- 268 9 7 0.09 -3.212 9.106 27.628 # HN8
- 269 9 17 0.16 -3.16 10.317 25.831 # CN7
- 270 9 6 0.09 -3.569 10.18 24.831 # HN7
- 271 9 36 -0.5 -3.322 11.705 26.223 # ON6B
- 272 9 18 0.16 -2.022 12.314 26.402 # CN7B
- 273 9 6 0.09 -1.789 12.931 25.535 # HN7
- 274 9 23 -0.34 -1.98 13.144 27.62 # NN2B
- 275 9 12 0.17 -2.301 12.617 28.841 # CN3
- 276 9 4 0.17 -2.602 11.572 28.91 # HN3
- 277 9 10 0.51 -1.594 14.462 27.479 # CN1T
- 278 9 31 -0.41 -1.304 14.946 26.388 # ON1
- 279 9 24 -0.46 -1.55 15.208 28.642 # NN2U
- 280 9 3 0.36 -1.266 16.173 28.556 # HN2
- 281 9 9 0.5 -1.856 14.754 29.913 # CN1
- 282 9 31 -0.45 -1.781 15.506 30.882 # ON1
- 283 9 13 -0.15 -2.25 13.364 29.961 # CN3T
- 284 9 20 -0.11 -2.613 12.733 31.301 # CN9
- 285 9 8 0.07 -3.44 13.282 31.75 # HN9
- 286 9 8 0.07 -1.749 12.768 31.965 # HN9
- 287 9 8 0.07 -2.907 11.695 31.144 # HN9
- 288 9 18 0.14 -1.031 11.183 26.492 # CN7B
- 289 9 6 0.09 -0.104 11.461 25.976 # HN7
- 290 9 35 -0.66 0.13 11.618 25.797 # ON5
- 291 9 5 0.43 -0.85 10.929 27.544 # HN5
- 292 9 17 0.01 -1.667 10.028 25.792 # CN7
- 293 9 6 0.09 -1.452 9.104 26.331 # HN7
- 294 9 33 -0.57 -1.201 9.937 24.447 # ON2
- 295 10 37 1.5 -0.315 8.688 23.992 # P
- 296 10 34 -0.78 0.551 8.277 25.125 # ON3
- 297 10 34 -0.78 0.304 8.985 22.676 # ON3
- 298 10 33 -0.57 -1.467 7.588 23.799 # ON2
- 299 10 19 -0.08 -1.147 6.209 23.981 # CN8B
- 300 10 7 0.09 -1.499 5.914 24.943 # HN8
- 301 10 7 0.09 -0.058 6.091 23.938 # HN8
- 302 10 17 0.16 -1.836 5.303 22.968 # CN7
- 303 10 6 0.09 -2.067 4.345 23.431 # HN7
- 304 10 36 -0.5 -3.058 5.912 22.482 # ON6B
- 305 10 18 0.16 -2.814 6.401 21.156 # CN7B
- 306 10 6 0.09 -3.405 5.82 20.462 # HN7
- 307 10 22 -0.05 -3.245 7.804 21.056 # NN2
- 308 10 15 0.28 -4.488 9.625 21.105 # CN5
- 309 10 29 -0.71 -3.166 10.059 21.189 # NN4
- 310 10 14 0.34 -2.525 8.939 21.164 # CN4
- 311 10 4 0.12 -1.467 8.901 21.352 # HN3
- 312 10 27 -0.74 -6.829 9.568 20.995 # NN3A
- 313 10 14 0.5 -6.756 8.238 20.93 # CN4
- 314 10 4 0.13 -7.703 7.703 20.862 # HN3
- 315 10 27 -0.75 -5.655 7.493 20.942 # NN3A
- 316 10 15 0.43 -4.547 8.257 21.031 # CN5
- 317 10 11 0.46 -5.708 10.306 21.082 # CN2
- 318 10 21 -0.77 -5.798 11.634 21.109 # NN1
- 319 10 2 0.38 -4.961 12.197 21.148 # HN1
- 320 10 2 0.38 -6.705 12.077 21.097 # HN1
- 321 10 18 0.14 -1.353 6.163 20.832 # CN7B
- 322 10 6 0.09 -1.255 5.812 19.797 # HN7
- 323 10 35 -0.66 -1.304 5.706 19.487 # ON5
- 324 10 5 0.43 -0.763 7.061 21.013 # HN5
- 325 10 17 0.01 -0.922 5.089 21.772 # CN7
- 326 10 6 0.09 0.123 5.233 22.05 # HN7
- 327 10 33 -0.57 -1.116 3.794 21.2 # ON2
- 328 11 37 1.5 -0.3 3.354 19.891 # P
- 329 11 34 -0.78 0.097 1.93 20.024 # ON3
- 330 11 34 -0.78 0.734 4.378 19.599 # ON3
- 331 11 33 -0.57 -1.473 3.469 18.803 # ON2
- 332 11 19 -0.08 -2.662 2.689 18.966 # CN8B
- 333 11 7 0.09 -2.944 2.68 20.01 # HN8
- 334 11 7 0.09 -2.451 1.662 18.634 # HN8
- 335 11 17 0.16 -3.851 3.245 18.197 # CN7
- 336 11 6 0.09 -4.766 2.847 18.632 # HN7
- 337 11 36 -0.5 -3.901 4.696 18.258 # ON6B
- 338 11 18 0.16 -4.03 5.228 16.919 # CN7B
- 339 11 6 0.09 -5.08 5.439 16.719 # HN7
- 340 11 23 -0.34 -3.239 6.466 16.744 # NN2B
- 341 11 12 0.17 -1.881 6.47 16.918 # CN3
- 342 11 4 0.17 -1.372 5.54 17.168 # HN3
- 343 11 10 0.51 -3.928 7.616 16.41 # CN1T
- 344 11 31 -0.41 -5.147 7.627 16.255 # ON1
- 345 11 24 -0.46 -3.167 8.76 16.267 # NN2U
- 346 11 3 0.36 -3.656 9.597 16.002 # HN2
- 347 11 9 0.5 -1.796 8.854 16.43 # CN1
- 348 11 31 -0.45 -1.22 9.932 16.292 # ON1
- 349 11 13 -0.15 -1.161 7.602 16.776 # CN3T
- 350 11 20 -0.11 0.348 7.56 16.99 # CN9
- 351 11 8 0.07 0.804 8.445 16.55 # HN9
- 352 11 8 0.07 0.757 6.667 16.526 # HN9
- 353 11 8 0.07 0.561 7.538 18.049 # HN9
- 354 11 18 0.14 -3.564 4.136 15.992 # CN7B
- 355 11 6 0.09 -4.165 4.148 15.075 # HN7
- 356 11 35 -0.66 -4.394 4.212 14.841 # ON5
- 357 11 5 0.43 -2.495 4.258 15.779 # HN5
- 358 11 17 0.01 -3.793 2.852 16.729 # CN7
- 359 11 6 0.09 -2.953 2.176 16.559 # HN7
- 360 11 33 -0.57 -5.015 2.233 16.322 # ON2
- 361 12 37 1.5 -5.221 1.752 14.807 # P
- 362 12 34 -0.78 -6.125 0.574 14.792 # ON3
- 363 12 34 -0.78 -3.895 1.663 14.146 # ON3
- 364 12 33 -0.57 -6.01 3.023 14.225 # ON2
- 365 12 19 -0.08 -7.077 3.615 14.98 # CN8B
- 366 12 7 0.09 -6.67 4.1 15.857 # HN8
- 367 12 7 0.09 -7.769 2.818 15.287 # HN8
- 368 12 17 0.16 -7.824 4.68 14.194 # CN7
- 369 12 6 0.09 -8.83 4.786 14.598 # HN7
- 370 12 36 -0.5 -7.144 5.958 14.28 # ON6B
- 371 12 18 0.16 -6.79 6.408 12.952 # CN7B
- 372 12 6 0.09 -7.49 7.183 12.639 # HN7
- 373 12 22 -0.05 -5.417 6.949 12.917 # NN2
- 374 12 15 0.28 -3.693 8.321 12.83 # CN5
- 375 12 29 -0.71 -3.157 7.043 13.02 # NN4
- 376 12 14 0.34 -4.226 6.316 13.057 # CN4
- 377 12 4 0.12 -4.171 5.237 13.186 # HN3
- 378 12 27 -0.74 -3.941 10.629 12.522 # NN3A
- 379 12 14 0.5 -5.257 10.448 12.476 # CN4
- 380 12 4 0.13 -5.861 11.34 12.337 # HN3
- 381 12 27 -0.75 -5.913 9.3 12.587 # NN3A
- 382 12 15 0.43 -5.067 8.268 12.764 # CN5
- 383 12 11 0.46 -3.111 9.589 12.699 # CN2
- 384 12 21 -0.77 -1.795 9.805 12.753 # NN1
- 385 12 2 0.38 -1.162 9.032 12.894 # HN1
- 386 12 2 0.38 -1.429 10.745 12.648 # HN1
- 387 12 18 0.14 -6.935 5.215 12.045 # CN7B
- 388 12 6 0.09 -7.341 5.533 11.081 # HN7
- 389 12 35 -0.66 -7.468 5.708 10.823 # ON5
- 390 12 5 0.43 -5.967 4.711 11.933 # HN5
- 391 12 17 0.01 -7.909 4.308 12.721 # CN7
- 392 12 6 0.09 -7.606 3.268 12.582 # HN7
- 393 12 33 -0.57 -9.231 4.514 12.212 # ON2
- 394 13 37 1.5 -9.569 4.219 10.669 # P
- 395 13 34 -0.78 -10.964 3.722 10.568 # ON3
- 396 13 34 -0.78 -8.467 3.416 10.078 # ON3
- 397 13 33 -0.57 -9.502 5.712 10.074 # ON2
- 398 13 19 -0.08 -10.262 6.771 10.674 # CN8B
- 399 13 7 0.09 -9.915 6.931 11.687 # HN8
- 400 13 7 0.09 -11.321 6.472 10.69 # HN8
- 401 13 17 0.16 -10.106 8.098 9.939 # CN7
- 402 13 6 0.09 -10.856 8.8 10.304 # HN7
- 403 13 36 -0.5 -8.786 8.662 10.158 # ON6B
- 404 13 18 0.16 -8.107 8.815 8.888 # CN7B
- 405 13 6 0.09 -8.123 9.865 8.595 # HN7
- 406 13 23 -0.02 -6.709 8.354 8.973 # NN2B
- 407 13 15 0.26 -5.588 9.146 8.985 # CN5
- 408 13 21 -0.68 -4.124 12.296 8.784 # NN1
- 409 13 2 0.32 -3.184 12.667 8.819 # HN1
- 410 13 2 0.35 -4.906 12.918 8.649 # HN1
- 411 13 28 -0.74 -5.57 10.492 8.868 # NN3G
- 412 13 11 0.75 -4.33 10.984 8.915 # CN2
- 413 13 25 -0.34 -3.206 10.202 9.073 # NN2G
- 414 13 3 0.26 -2.315 10.646 9.124 # HN2
- 415 13 9 0.54 -3.197 8.821 9.193 # CN1
- 416 13 31 -0.51 -2.131 8.221 9.329 # ON1
- 417 13 16 0 -4.509 8.289 9.14 # CN5G
- 418 13 29 -0.6 -4.941 6.963 9.22 # NN4
- 419 13 14 0.25 -6.219 7.099 9.112 # CN4
- 420 13 4 0.16 -6.878 6.234 9.115 # HN3
- 421 13 18 0.14 -8.891 8.009 7.886 # CN7B
- 422 13 6 0.09 -8.913 8.529 6.925 # HN7
- 423 13 35 -0.66 -8.878 8.756 6.677 # ON5
- 424 13 5 0.43 -8.46 7.004 7.796 # HN5
- 425 13 17 0.01 -10.275 7.918 8.438 # CN7
- 426 13 6 0.09 -10.699 6.935 8.226 # HN7
- 427 13 33 -0.57 -11.101 8.949 7.886 # ON2
- 428 14 37 1.5 -11.39 9.003 6.307 # P
- 429 14 34 -0.78 -12.822 9.326 6.088 # ON3
- 430 14 34 -0.78 -10.812 7.792 5.669 # ON3
- 431 14 33 -0.57 -10.498 10.281 5.903 # ON2
- 432 14 19 -0.08 -10.655 11.527 6.598 # CN8B
- 433 14 7 0.09 -10.451 11.38 7.649 # HN8
- 434 14 7 0.09 -11.694 11.866 6.469 # HN8
- 435 14 17 0.16 -9.695 12.606 6.108 # CN7
- 436 14 6 0.09 -10.002 13.566 6.522 # HN7
- 437 14 36 -0.5 -8.331 12.331 6.524 # ON6B
- 438 14 18 0.16 -7.466 12.306 5.364 # CN7B
- 439 14 6 0.09 -6.929 13.252 5.293 # HN7
- 440 14 23 -0.02 -6.496 11.197 5.439 # NN2B
- 441 14 15 0.26 -5.13 11.309 5.503 # CN5
- 442 14 21 -0.68 -2.272 13.284 5.569 # NN1
- 443 14 2 0.32 -1.276 13.122 5.619 # HN1
- 444 14 2 0.35 -2.629 14.227 5.521 # HN1
- 445 14 28 -0.74 -4.431 12.464 5.499 # NN3G
- 446 14 11 0.75 -3.115 12.253 5.569 # CN2
- 447 14 25 -0.34 -2.546 11 5.639 # NN2G
- 448 14 3 0.26 -1.553 10.927 5.697 # HN2
- 449 14 9 0.54 -3.243 9.8 5.643 # CN1
- 450 14 31 -0.51 -2.637 8.733 5.71 # ON1
- 451 14 16 0 -4.64 10.014 5.568 # CN5G
- 452 14 29 -0.6 -5.685 9.089 5.544 # NN4
- 453 14 14 0.25 -6.712 9.862 5.468 # CN4
- 454 14 4 0.16 -7.718 9.456 5.407 # HN3
- 455 14 18 0.14 -8.37 12.156 4.168 # CN7B
- 456 14 6 0.09 -7.981 12.746 3.333 # HN7
- 457 14 35 -0.66 -7.8 12.955 3.14 # ON5
- 458 14 5 0.43 -8.468 11.095 3.906 # HN5
- 459 14 17 0.01 -9.699 12.699 4.588 # CN7
- 460 14 6 0.09 -10.498 12.075 4.18 # HN7
- 461 14 33 -0.57 -9.858 14.054 4.155 # ON2
- 462 15 37 1.5 -9.872 14.418 2.591 # P
- 463 15 34 -0.78 -10.717 15.621 2.385 # ON3
- 464 15 34 -0.78 -10.159 13.187 1.811 # ON3
- 465 15 33 -0.57 -8.329 14.822 2.384 # ON2
- 466 15 19 -0.08 -7.757 15.905 3.132 # CN8B
- 467 15 7 0.09 -7.679 15.62 4.173 # HN8
- 468 15 7 0.09 -8.419 16.778 3.038 # HN8
- 469 15 17 0.16 -6.352 16.267 2.666 # CN7
- 470 15 6 0.09 -6.074 17.231 3.09 # HN7
- 471 15 36 -0.5 -5.384 15.271 3.088 # ON6B
- 472 15 18 0.16 -4.683 14.758 1.931 # CN7B
- 473 15 6 0.09 -3.701 15.229 1.864 # HN7
- 474 15 22 -0.05 -4.519 13.297 2.002 # NN2
- 475 15 15 0.28 -3.661 11.277 2.155 # CN5
- 476 15 29 -0.71 -5.037 11.096 2.004 # NN4
- 477 15 14 0.34 -5.449 12.315 1.922 # CN4
- 478 15 4 0.12 -6.501 12.547 1.781 # HN3
- 479 15 27 -0.74 -1.372 10.906 2.425 # NN3A
- 480 15 14 0.5 -1.189 12.224 2.412 # CN4
- 481 15 4 0.13 -0.165 12.572 2.528 # HN3
- 482 15 27 -0.75 -2.117 13.16 2.28 # NN3A
- 483 15 15 0.43 -3.341 12.615 2.156 # CN5
- 484 15 11 0.46 -2.6 10.384 2.299 # CN2
- 485 15 21 -0.77 -2.755 9.059 2.312 # NN1
- 486 15 2 0.38 -1.949 8.456 2.417 # HN1
- 487 15 2 0.38 -3.677 8.658 2.219 # HN1
- 488 15 18 0.14 -5.504 15.149 0.731 # CN7B
- 489 15 6 0.09 -4.844 15.409 -0.102 # HN7
- 490 15 35 -0.66 -4.576 15.478 -0.294 # ON5
- 491 15 5 0.43 -6.19 14.335 0.468 # HN5
- 492 15 17 0.01 -6.283 16.352 1.147 # CN7
- 493 15 6 0.09 -7.289 16.303 0.726 # HN7
- 494 15 33 -0.57 -5.624 17.548 0.722 # ON2
- 495 16 37 1.5 -5.398 17.836 -0.841 # P
- 496 16 34 -0.78 -5.436 19.302 -1.072 # ON3
- 497 16 34 -0.78 -6.293 16.951 -1.628 # ON3
- 498 16 33 -0.57 -3.882 17.322 -1.001 # ON2
- 499 16 19 -0.08 -2.838 17.907 -0.211 # CN8B
- 500 16 7 0.09 -2.999 17.667 0.83 # HN8
- 501 16 7 0.09 -2.874 18.998 -0.347 # HN8
- 502 16 17 0.16 -1.452 17.388 -0.574 # CN7
- 503 16 6 0.09 -0.705 17.995 -0.065 # HN7
- 504 16 36 -0.5 -1.281 16.003 -0.17 # ON6B
- 505 16 18 0.16 -0.834 15.221 -1.3 # CN7B
- 506 16 6 0.09 0.246 15.085 -1.238 # HN7
- 507 16 23 -0.34 -1.493 13.897 -1.332 # NN2B
- 508 16 12 0.17 -2.847 13.782 -1.508 # CN3
- 509 16 4 0.17 -3.452 14.681 -1.599 # HN3
- 510 16 10 0.51 -0.686 12.781 -1.194 # CN1T
- 511 16 31 -0.41 0.53 12.869 -1.037 # ON1
- 512 16 24 -0.46 -1.328 11.558 -1.246 # NN2U
- 513 16 3 0.36 -0.76 10.742 -1.134 # HN2
- 514 16 9 0.5 -2.685 11.356 -1.424 # CN1
- 515 16 31 -0.45 -3.15 10.219 -1.466 # ON1
- 516 16 13 -0.15 -3.447 12.577 -1.557 # CN3T
- 517 16 20 -0.11 -4.957 12.501 -1.76 # CN9
- 518 16 8 0.07 -5.422 13.407 -1.376 # HN9
- 519 16 8 0.07 -5.352 11.634 -1.237 # HN9
- 520 16 8 0.07 -5.176 12.408 -2.814 # HN9
- 521 16 18 0.14 -1.16 16.036 -2.531 # CN7B
- 522 16 6 0.09 -0.365 15.912 -3.277 # HN7
- 523 16 35 -0.66 -0.085 15.83 -3.438 # ON5
- 524 16 5 0.43 -2.137 15.741 -2.93 # HN5
- 525 16 17 0.01 -1.207 17.463 -2.076 # CN7
- 526 16 6 0.09 -2.043 17.975 -2.561 # HN7
- 527 16 33 -0.57 0.021 18.138 -2.365 # ON2
- 528 33 30 -0.834 -12.855423 -0.65092323 -4.2105387 # OT
- 529 33 1 0.417 -12.098473 -0.065040954 -4.2105387 # HT
- 530 33 1 0.417 -13.612374 -0.065040954 -4.2105387 # HT
- 531 34 30 -0.834 -10.392218 1.8122819 -4.2105387 # OT
- 532 34 1 0.417 -9.6352677 2.3981642 -4.2105387 # HT
- 533 34 1 0.417 -11.149168 2.3981642 -4.2105387 # HT
- 534 35 38 1 -10.392218 -0.65092323 -1.7473336 # SOD
- 535 36 30 -0.834 -12.855423 1.8122819 -1.7473336 # OT
- 536 36 1 0.417 -12.098473 2.3981642 -1.7473336 # HT
- 537 36 1 0.417 -13.612374 2.3981642 -1.7473336 # HT
- 538 37 30 -0.834 -12.855423 -0.65092323 0.71587161 # OT
- 539 37 1 0.417 -12.098473 -0.065040954 0.71587161 # HT
- 540 37 1 0.417 -13.612374 -0.065040954 0.71587161 # HT
- 541 38 38 1 -10.392218 1.8122819 0.71587161 # SOD
- 542 39 30 -0.834 -10.392218 -0.65092323 3.1790768 # OT
- 543 39 1 0.417 -9.6352677 -0.065040954 3.1790768 # HT
- 544 39 1 0.417 -11.149168 -0.065040954 3.1790768 # HT
- 545 40 30 -0.834 -12.855423 1.8122819 3.1790768 # OT
- 546 40 1 0.417 -12.098473 2.3981642 3.1790768 # HT
- 547 40 1 0.417 -13.612374 2.3981642 3.1790768 # HT
- 548 41 30 -0.834 -12.855423 -0.65092323 5.6422819 # OT
- 549 41 1 0.417 -12.098473 -0.065040954 5.6422819 # HT
- 550 41 1 0.417 -13.612374 -0.065040954 5.6422819 # HT
- 551 42 30 -0.834 -10.392218 1.8122819 5.6422819 # OT
- 552 42 1 0.417 -9.6352677 2.3981642 5.6422819 # HT
- 553 42 1 0.417 -11.149168 2.3981642 5.6422819 # HT
- 554 43 30 -0.834 -10.392218 -0.65092323 8.1054871 # OT
- 555 43 1 0.417 -9.6352677 -0.065040954 8.1054871 # HT
- 556 43 1 0.417 -11.149168 -0.065040954 8.1054871 # HT
- 557 44 30 -0.834 -12.855423 1.8122819 8.1054871 # OT
- 558 44 1 0.417 -12.098473 2.3981642 8.1054871 # HT
- 559 44 1 0.417 -13.612374 2.3981642 8.1054871 # HT
- 560 45 30 -0.834 -12.855423 -0.65092323 10.568692 # OT
- 561 45 1 0.417 -12.098473 -0.065040954 10.568692 # HT
- 562 45 1 0.417 -13.612374 -0.065040954 10.568692 # HT
- 563 46 30 -0.834 -10.392218 -0.65092323 13.031897 # OT
- 564 46 1 0.417 -9.6352677 -0.065040954 13.031897 # HT
- 565 46 1 0.417 -11.149168 -0.065040954 13.031897 # HT
- 566 47 30 -0.834 -12.855423 1.8122819 13.031897 # OT
- 567 47 1 0.417 -12.098473 2.3981642 13.031897 # HT
- 568 47 1 0.417 -13.612374 2.3981642 13.031897 # HT
- 569 48 30 -0.834 -12.855423 -0.65092323 15.495103 # OT
- 570 48 1 0.417 -12.098473 -0.065040954 15.495103 # HT
- 571 48 1 0.417 -13.612374 -0.065040954 15.495103 # HT
- 572 49 30 -0.834 -10.392218 1.8122819 15.495103 # OT
- 573 49 1 0.417 -9.6352677 2.3981642 15.495103 # HT
- 574 49 1 0.417 -11.149168 2.3981642 15.495103 # HT
- 575 50 30 -0.834 -10.392218 -0.65092323 17.958308 # OT
- 576 50 1 0.417 -9.6352677 -0.065040954 17.958308 # HT
- 577 50 1 0.417 -11.149168 -0.065040954 17.958308 # HT
- 578 51 30 -0.834 -12.855423 1.8122819 17.958308 # OT
- 579 51 1 0.417 -12.098473 2.3981642 17.958308 # HT
- 580 51 1 0.417 -13.612374 2.3981642 17.958308 # HT
- 581 52 30 -0.834 -12.855423 -0.65092323 20.421513 # OT
- 582 52 1 0.417 -12.098473 -0.065040954 20.421513 # HT
- 583 52 1 0.417 -13.612374 -0.065040954 20.421513 # HT
- 584 53 30 -0.834 -10.392218 1.8122819 20.421513 # OT
- 585 53 1 0.417 -9.6352677 2.3981642 20.421513 # HT
- 586 53 1 0.417 -11.149168 2.3981642 20.421513 # HT
- 587 54 30 -0.834 -10.392218 -0.65092323 22.884718 # OT
- 588 54 1 0.417 -9.6352677 -0.065040954 22.884718 # HT
- 589 54 1 0.417 -11.149168 -0.065040954 22.884718 # HT
- 590 55 30 -0.834 -12.855423 1.8122819 22.884718 # OT
- 591 55 1 0.417 -12.098473 2.3981642 22.884718 # HT
- 592 55 1 0.417 -13.612374 2.3981642 22.884718 # HT
- 593 56 30 -0.834 -12.855423 -0.65092323 25.347923 # OT
- 594 56 1 0.417 -12.098473 -0.065040954 25.347923 # HT
- 595 56 1 0.417 -13.612374 -0.065040954 25.347923 # HT
- 596 57 30 -0.834 -10.392218 1.8122819 25.347923 # OT
- 597 57 1 0.417 -9.6352677 2.3981642 25.347923 # HT
- 598 57 1 0.417 -11.149168 2.3981642 25.347923 # HT
- 599 58 30 -0.834 -10.392218 -0.65092323 27.811128 # OT
- 600 58 1 0.417 -9.6352677 -0.065040954 27.811128 # HT
- 601 58 1 0.417 -11.149168 -0.065040954 27.811128 # HT
- 602 59 30 -0.834 -12.855423 1.8122819 27.811128 # OT
- 603 59 1 0.417 -12.098473 2.3981642 27.811128 # HT
- 604 59 1 0.417 -13.612374 2.3981642 27.811128 # HT
- 605 60 30 -0.834 -12.855423 -0.65092323 30.274334 # OT
- 606 60 1 0.417 -12.098473 -0.065040954 30.274334 # HT
- 607 60 1 0.417 -13.612374 -0.065040954 30.274334 # HT
- 608 61 30 -0.834 -10.392218 1.8122819 30.274334 # OT
- 609 61 1 0.417 -9.6352677 2.3981642 30.274334 # HT
- 610 61 1 0.417 -11.149168 2.3981642 30.274334 # HT
- 611 62 30 -0.834 -10.392218 -0.65092323 32.737539 # OT
- 612 62 1 0.417 -9.6352677 -0.065040954 32.737539 # HT
- 613 62 1 0.417 -11.149168 -0.065040954 32.737539 # HT
- 614 63 30 -0.834 -12.855423 1.8122819 32.737539 # OT
- 615 63 1 0.417 -12.098473 2.3981642 32.737539 # HT
- 616 63 1 0.417 -13.612374 2.3981642 32.737539 # HT
- 617 64 30 -0.834 -12.855423 4.2754871 -4.2105387 # OT
- 618 64 1 0.417 -12.098473 4.8613694 -4.2105387 # HT
- 619 64 1 0.417 -13.612374 4.8613694 -4.2105387 # HT
- 620 65 30 -0.834 -10.392218 6.7386923 -4.2105387 # OT
- 621 65 1 0.417 -9.6352677 7.3245745 -4.2105387 # HT
- 622 65 1 0.417 -11.149168 7.3245745 -4.2105387 # HT
- 623 66 30 -0.834 -10.392218 4.2754871 -1.7473336 # OT
- 624 66 1 0.417 -9.6352677 4.8613694 -1.7473336 # HT
- 625 66 1 0.417 -11.149168 4.8613694 -1.7473336 # HT
- 626 67 30 -0.834 -12.855423 6.7386923 -1.7473336 # OT
- 627 67 1 0.417 -12.098473 7.3245745 -1.7473336 # HT
- 628 67 1 0.417 -13.612374 7.3245745 -1.7473336 # HT
- 629 68 30 -0.834 -12.855423 4.2754871 0.71587161 # OT
- 630 68 1 0.417 -12.098473 4.8613694 0.71587161 # HT
- 631 68 1 0.417 -13.612374 4.8613694 0.71587161 # HT
- 632 69 30 -0.834 -10.392218 6.7386923 0.71587161 # OT
- 633 69 1 0.417 -9.6352677 7.3245745 0.71587161 # HT
- 634 69 1 0.417 -11.149168 7.3245745 0.71587161 # HT
- 635 70 30 -0.834 -10.392218 4.2754871 3.1790768 # OT
- 636 70 1 0.417 -9.6352677 4.8613694 3.1790768 # HT
- 637 70 1 0.417 -11.149168 4.8613694 3.1790768 # HT
- 638 71 30 -0.834 -12.855423 6.7386923 3.1790768 # OT
- 639 71 1 0.417 -12.098473 7.3245745 3.1790768 # HT
- 640 71 1 0.417 -13.612374 7.3245745 3.1790768 # HT
- 641 72 30 -0.834 -12.855423 4.2754871 5.6422819 # OT
- 642 72 1 0.417 -12.098473 4.8613694 5.6422819 # HT
- 643 72 1 0.417 -13.612374 4.8613694 5.6422819 # HT
- 644 73 30 -0.834 -12.855423 6.7386923 13.031897 # OT
- 645 73 1 0.417 -12.098473 7.3245745 13.031897 # HT
- 646 73 1 0.417 -13.612374 7.3245745 13.031897 # HT
- 647 74 30 -0.834 -12.855423 4.2754871 15.495103 # OT
- 648 74 1 0.417 -12.098473 4.8613694 15.495103 # HT
- 649 74 1 0.417 -13.612374 4.8613694 15.495103 # HT
- 650 75 30 -0.834 -10.392218 4.2754871 17.958308 # OT
- 651 75 1 0.417 -9.6352677 4.8613694 17.958308 # HT
- 652 75 1 0.417 -11.149168 4.8613694 17.958308 # HT
- 653 76 30 -0.834 -12.855423 6.7386923 17.958308 # OT
- 654 76 1 0.417 -12.098473 7.3245745 17.958308 # HT
- 655 76 1 0.417 -13.612374 7.3245745 17.958308 # HT
- 656 77 30 -0.834 -12.855423 4.2754871 20.421513 # OT
- 657 77 1 0.417 -12.098473 4.8613694 20.421513 # HT
- 658 77 1 0.417 -13.612374 4.8613694 20.421513 # HT
- 659 78 30 -0.834 -10.392218 6.7386923 20.421513 # OT
- 660 78 1 0.417 -9.6352677 7.3245745 20.421513 # HT
- 661 78 1 0.417 -11.149168 7.3245745 20.421513 # HT
- 662 79 30 -0.834 -10.392218 4.2754871 22.884718 # OT
- 663 79 1 0.417 -9.6352677 4.8613694 22.884718 # HT
- 664 79 1 0.417 -11.149168 4.8613694 22.884718 # HT
- 665 80 30 -0.834 -12.855423 6.7386923 22.884718 # OT
- 666 80 1 0.417 -12.098473 7.3245745 22.884718 # HT
- 667 80 1 0.417 -13.612374 7.3245745 22.884718 # HT
- 668 81 30 -0.834 -12.855423 4.2754871 25.347923 # OT
- 669 81 1 0.417 -12.098473 4.8613694 25.347923 # HT
- 670 81 1 0.417 -13.612374 4.8613694 25.347923 # HT
- 671 82 30 -0.834 -10.392218 6.7386923 25.347923 # OT
- 672 82 1 0.417 -9.6352677 7.3245745 25.347923 # HT
- 673 82 1 0.417 -11.149168 7.3245745 25.347923 # HT
- 674 83 30 -0.834 -10.392218 4.2754871 27.811128 # OT
- 675 83 1 0.417 -9.6352677 4.8613694 27.811128 # HT
- 676 83 1 0.417 -11.149168 4.8613694 27.811128 # HT
- 677 84 30 -0.834 -12.855423 6.7386923 27.811128 # OT
- 678 84 1 0.417 -12.098473 7.3245745 27.811128 # HT
- 679 84 1 0.417 -13.612374 7.3245745 27.811128 # HT
- 680 85 30 -0.834 -12.855423 4.2754871 30.274334 # OT
- 681 85 1 0.417 -12.098473 4.8613694 30.274334 # HT
- 682 85 1 0.417 -13.612374 4.8613694 30.274334 # HT
- 683 86 30 -0.834 -10.392218 6.7386923 30.274334 # OT
- 684 86 1 0.417 -9.6352677 7.3245745 30.274334 # HT
- 685 86 1 0.417 -11.149168 7.3245745 30.274334 # HT
- 686 87 30 -0.834 -10.392218 4.2754871 32.737539 # OT
- 687 87 1 0.417 -9.6352677 4.8613694 32.737539 # HT
- 688 87 1 0.417 -11.149168 4.8613694 32.737539 # HT
- 689 88 30 -0.834 -12.855423 6.7386923 32.737539 # OT
- 690 88 1 0.417 -12.098473 7.3245745 32.737539 # HT
- 691 88 1 0.417 -13.612374 7.3245745 32.737539 # HT
- 692 89 30 -0.834 -12.855423 9.2018974 -4.2105387 # OT
- 693 89 1 0.417 -12.098473 9.7877797 -4.2105387 # HT
- 694 89 1 0.417 -13.612374 9.7877797 -4.2105387 # HT
- 695 90 30 -0.834 -10.392218 11.665103 -4.2105387 # OT
- 696 90 1 0.417 -9.6352677 12.250985 -4.2105387 # HT
- 697 90 1 0.417 -11.149168 12.250985 -4.2105387 # HT
- 698 91 30 -0.834 -10.392218 9.2018974 -1.7473336 # OT
- 699 91 1 0.417 -9.6352677 9.7877797 -1.7473336 # HT
- 700 91 1 0.417 -11.149168 9.7877797 -1.7473336 # HT
- 701 92 30 -0.834 -12.855423 11.665103 -1.7473336 # OT
- 702 92 1 0.417 -12.098473 12.250985 -1.7473336 # HT
- 703 92 1 0.417 -13.612374 12.250985 -1.7473336 # HT
- 704 93 30 -0.834 -12.855423 9.2018974 0.71587161 # OT
- 705 93 1 0.417 -12.098473 9.7877797 0.71587161 # HT
- 706 93 1 0.417 -13.612374 9.7877797 0.71587161 # HT
- 707 94 30 -0.834 -10.392218 11.665103 10.568692 # OT
- 708 94 1 0.417 -9.6352677 12.250985 10.568692 # HT
- 709 94 1 0.417 -11.149168 12.250985 10.568692 # HT
- 710 95 30 -0.834 -12.855423 11.665103 13.031897 # OT
- 711 95 1 0.417 -12.098473 12.250985 13.031897 # HT
- 712 95 1 0.417 -13.612374 12.250985 13.031897 # HT
- 713 96 30 -0.834 -12.855423 9.2018974 15.495103 # OT
- 714 96 1 0.417 -12.098473 9.7877797 15.495103 # HT
- 715 96 1 0.417 -13.612374 9.7877797 15.495103 # HT
- 716 97 30 -0.834 -10.392218 11.665103 15.495103 # OT
- 717 97 1 0.417 -9.6352677 12.250985 15.495103 # HT
- 718 97 1 0.417 -11.149168 12.250985 15.495103 # HT
- 719 98 30 -0.834 -10.392218 9.2018974 17.958308 # OT
- 720 98 1 0.417 -9.6352677 9.7877797 17.958308 # HT
- 721 98 1 0.417 -11.149168 9.7877797 17.958308 # HT
- 722 99 30 -0.834 -12.855423 11.665103 17.958308 # OT
- 723 99 1 0.417 -12.098473 12.250985 17.958308 # HT
- 724 99 1 0.417 -13.612374 12.250985 17.958308 # HT
- 725 100 30 -0.834 -12.855423 9.2018974 20.421513 # OT
- 726 100 1 0.417 -12.098473 9.7877797 20.421513 # HT
- 727 100 1 0.417 -13.612374 9.7877797 20.421513 # HT
- 728 101 30 -0.834 -12.855423 9.2018974 25.347923 # OT
- 729 101 1 0.417 -12.098473 9.7877797 25.347923 # HT
- 730 101 1 0.417 -13.612374 9.7877797 25.347923 # HT
- 731 102 30 -0.834 -10.392218 9.2018974 27.811128 # OT
- 732 102 1 0.417 -9.6352677 9.7877797 27.811128 # HT
- 733 102 1 0.417 -11.149168 9.7877797 27.811128 # HT
- 734 103 30 -0.834 -12.855423 11.665103 27.811128 # OT
- 735 103 1 0.417 -12.098473 12.250985 27.811128 # HT
- 736 103 1 0.417 -13.612374 12.250985 27.811128 # HT
- 737 104 30 -0.834 -12.855423 9.2018974 30.274334 # OT
- 738 104 1 0.417 -12.098473 9.7877797 30.274334 # HT
- 739 104 1 0.417 -13.612374 9.7877797 30.274334 # HT
- 740 105 30 -0.834 -10.392218 11.665103 30.274334 # OT
- 741 105 1 0.417 -9.6352677 12.250985 30.274334 # HT
- 742 105 1 0.417 -11.149168 12.250985 30.274334 # HT
- 743 106 30 -0.834 -10.392218 9.2018974 32.737539 # OT
- 744 106 1 0.417 -9.6352677 9.7877797 32.737539 # HT
- 745 106 1 0.417 -11.149168 9.7877797 32.737539 # HT
- 746 107 30 -0.834 -12.855423 11.665103 32.737539 # OT
- 747 107 1 0.417 -12.098473 12.250985 32.737539 # HT
- 748 107 1 0.417 -13.612374 12.250985 32.737539 # HT
- 749 108 30 -0.834 -12.855423 14.128308 -4.2105387 # OT
- 750 108 1 0.417 -12.098473 14.71419 -4.2105387 # HT
- 751 108 1 0.417 -13.612374 14.71419 -4.2105387 # HT
- 752 109 30 -0.834 -10.392218 16.591513 -4.2105387 # OT
- 753 109 1 0.417 -9.6352677 17.177395 -4.2105387 # HT
- 754 109 1 0.417 -11.149168 17.177395 -4.2105387 # HT
- 755 110 30 -0.834 -10.392218 14.128308 -1.7473336 # OT
- 756 110 1 0.417 -9.6352677 14.71419 -1.7473336 # HT
- 757 110 1 0.417 -11.149168 14.71419 -1.7473336 # HT
- 758 111 30 -0.834 -12.855423 16.591513 -1.7473336 # OT
- 759 111 1 0.417 -12.098473 17.177395 -1.7473336 # HT
- 760 111 1 0.417 -13.612374 17.177395 -1.7473336 # HT
- 761 112 30 -0.834 -12.855423 16.591513 8.1054871 # OT
- 762 112 1 0.417 -12.098473 17.177395 8.1054871 # HT
- 763 112 1 0.417 -13.612374 17.177395 8.1054871 # HT
- 764 113 30 -0.834 -12.855423 14.128308 10.568692 # OT
- 765 113 1 0.417 -12.098473 14.71419 10.568692 # HT
- 766 113 1 0.417 -13.612374 14.71419 10.568692 # HT
- 767 114 30 -0.834 -10.392218 16.591513 10.568692 # OT
- 768 114 1 0.417 -9.6352677 17.177395 10.568692 # HT
- 769 114 1 0.417 -11.149168 17.177395 10.568692 # HT
- 770 115 30 -0.834 -10.392218 14.128308 13.031897 # OT
- 771 115 1 0.417 -9.6352677 14.71419 13.031897 # HT
- 772 115 1 0.417 -11.149168 14.71419 13.031897 # HT
- 773 116 30 -0.834 -12.855423 16.591513 13.031897 # OT
- 774 116 1 0.417 -12.098473 17.177395 13.031897 # HT
- 775 116 1 0.417 -13.612374 17.177395 13.031897 # HT
- 776 117 30 -0.834 -12.855423 14.128308 15.495103 # OT
- 777 117 1 0.417 -12.098473 14.71419 15.495103 # HT
- 778 117 1 0.417 -13.612374 14.71419 15.495103 # HT
- 779 118 30 -0.834 -10.392218 14.128308 27.811128 # OT
- 780 118 1 0.417 -9.6352677 14.71419 27.811128 # HT
- 781 118 1 0.417 -11.149168 14.71419 27.811128 # HT
- 782 119 30 -0.834 -12.855423 16.591513 27.811128 # OT
- 783 119 1 0.417 -12.098473 17.177395 27.811128 # HT
- 784 119 1 0.417 -13.612374 17.177395 27.811128 # HT
- 785 120 30 -0.834 -12.855423 14.128308 30.274334 # OT
- 786 120 1 0.417 -12.098473 14.71419 30.274334 # HT
- 787 120 1 0.417 -13.612374 14.71419 30.274334 # HT
- 788 121 30 -0.834 -10.392218 16.591513 30.274334 # OT
- 789 121 1 0.417 -9.6352677 17.177395 30.274334 # HT
- 790 121 1 0.417 -11.149168 17.177395 30.274334 # HT
- 791 122 30 -0.834 -10.392218 14.128308 32.737539 # OT
- 792 122 1 0.417 -9.6352677 14.71419 32.737539 # HT
- 793 122 1 0.417 -11.149168 14.71419 32.737539 # HT
- 794 123 30 -0.834 -12.855423 16.591513 32.737539 # OT
- 795 123 1 0.417 -12.098473 17.177395 32.737539 # HT
- 796 123 1 0.417 -13.612374 17.177395 32.737539 # HT
- 797 124 30 -0.834 -12.855423 19.054718 -4.2105387 # OT
- 798 124 1 0.417 -12.098473 19.6406 -4.2105387 # HT
- 799 124 1 0.417 -13.612374 19.6406 -4.2105387 # HT
- 800 125 30 -0.834 -10.392218 21.517923 -4.2105387 # OT
- 801 125 1 0.417 -9.6352677 22.103806 -4.2105387 # HT
- 802 125 1 0.417 -11.149168 22.103806 -4.2105387 # HT
- 803 126 30 -0.834 -10.392218 19.054718 -1.7473336 # OT
- 804 126 1 0.417 -9.6352677 19.6406 -1.7473336 # HT
- 805 126 1 0.417 -11.149168 19.6406 -1.7473336 # HT
- 806 127 30 -0.834 -12.855423 21.517923 -1.7473336 # OT
- 807 127 1 0.417 -12.098473 22.103806 -1.7473336 # HT
- 808 127 1 0.417 -13.612374 22.103806 -1.7473336 # HT
- 809 128 30 -0.834 -12.855423 19.054718 0.71587161 # OT
- 810 128 1 0.417 -12.098473 19.6406 0.71587161 # HT
- 811 128 1 0.417 -13.612374 19.6406 0.71587161 # HT
- 812 129 30 -0.834 -10.392218 21.517923 0.71587161 # OT
- 813 129 1 0.417 -9.6352677 22.103806 0.71587161 # HT
- 814 129 1 0.417 -11.149168 22.103806 0.71587161 # HT
- 815 130 30 -0.834 -10.392218 19.054718 3.1790768 # OT
- 816 130 1 0.417 -9.6352677 19.6406 3.1790768 # HT
- 817 130 1 0.417 -11.149168 19.6406 3.1790768 # HT
- 818 131 30 -0.834 -12.855423 21.517923 3.1790768 # OT
- 819 131 1 0.417 -12.098473 22.103806 3.1790768 # HT
- 820 131 1 0.417 -13.612374 22.103806 3.1790768 # HT
- 821 132 30 -0.834 -12.855423 19.054718 5.6422819 # OT
- 822 132 1 0.417 -12.098473 19.6406 5.6422819 # HT
- 823 132 1 0.417 -13.612374 19.6406 5.6422819 # HT
- 824 133 38 1 -10.392218 21.517923 5.6422819 # SOD
- 825 134 30 -0.834 -10.392218 19.054718 8.1054871 # OT
- 826 134 1 0.417 -9.6352677 19.6406 8.1054871 # HT
- 827 134 1 0.417 -11.149168 19.6406 8.1054871 # HT
- 828 135 30 -0.834 -12.855423 21.517923 8.1054871 # OT
- 829 135 1 0.417 -12.098473 22.103806 8.1054871 # HT
- 830 135 1 0.417 -13.612374 22.103806 8.1054871 # HT
- 831 136 30 -0.834 -12.855423 19.054718 10.568692 # OT
- 832 136 1 0.417 -12.098473 19.6406 10.568692 # HT
- 833 136 1 0.417 -13.612374 19.6406 10.568692 # HT
- 834 137 30 -0.834 -10.392218 21.517923 10.568692 # OT
- 835 137 1 0.417 -9.6352677 22.103806 10.568692 # HT
- 836 137 1 0.417 -11.149168 22.103806 10.568692 # HT
- 837 138 30 -0.834 -12.855423 21.517923 13.031897 # OT
- 838 138 1 0.417 -12.098473 22.103806 13.031897 # HT
- 839 138 1 0.417 -13.612374 22.103806 13.031897 # HT
- 840 139 30 -0.834 -10.392218 21.517923 15.495103 # OT
- 841 139 1 0.417 -9.6352677 22.103806 15.495103 # HT
- 842 139 1 0.417 -11.149168 22.103806 15.495103 # HT
- 843 140 30 -0.834 -12.855423 21.517923 17.958308 # OT
- 844 140 1 0.417 -12.098473 22.103806 17.958308 # HT
- 845 140 1 0.417 -13.612374 22.103806 17.958308 # HT
- 846 141 30 -0.834 -12.855423 19.054718 20.421513 # OT
- 847 141 1 0.417 -12.098473 19.6406 20.421513 # HT
- 848 141 1 0.417 -13.612374 19.6406 20.421513 # HT
- 849 142 30 -0.834 -10.392218 21.517923 20.421513 # OT
- 850 142 1 0.417 -9.6352677 22.103806 20.421513 # HT
- 851 142 1 0.417 -11.149168 22.103806 20.421513 # HT
- 852 143 30 -0.834 -10.392218 19.054718 22.884718 # OT
- 853 143 1 0.417 -9.6352677 19.6406 22.884718 # HT
- 854 143 1 0.417 -11.149168 19.6406 22.884718 # HT
- 855 144 30 -0.834 -12.855423 21.517923 22.884718 # OT
- 856 144 1 0.417 -12.098473 22.103806 22.884718 # HT
- 857 144 1 0.417 -13.612374 22.103806 22.884718 # HT
- 858 145 38 1 -12.855423 19.054718 25.347923 # SOD
- 859 146 30 -0.834 -10.392218 21.517923 25.347923 # OT
- 860 146 1 0.417 -9.6352677 22.103806 25.347923 # HT
- 861 146 1 0.417 -11.149168 22.103806 25.347923 # HT
- 862 147 30 -0.834 -10.392218 19.054718 27.811128 # OT
- 863 147 1 0.417 -9.6352677 19.6406 27.811128 # HT
- 864 147 1 0.417 -11.149168 19.6406 27.811128 # HT
- 865 148 38 1 -12.855423 21.517923 27.811128 # SOD
- 866 149 30 -0.834 -12.855423 19.054718 30.274334 # OT
- 867 149 1 0.417 -12.098473 19.6406 30.274334 # HT
- 868 149 1 0.417 -13.612374 19.6406 30.274334 # HT
- 869 150 30 -0.834 -10.392218 21.517923 30.274334 # OT
- 870 150 1 0.417 -9.6352677 22.103806 30.274334 # HT
- 871 150 1 0.417 -11.149168 22.103806 30.274334 # HT
- 872 151 30 -0.834 -10.392218 19.054718 32.737539 # OT
- 873 151 1 0.417 -9.6352677 19.6406 32.737539 # HT
- 874 151 1 0.417 -11.149168 19.6406 32.737539 # HT
- 875 152 30 -0.834 -12.855423 21.517923 32.737539 # OT
- 876 152 1 0.417 -12.098473 22.103806 32.737539 # HT
- 877 152 1 0.417 -13.612374 22.103806 32.737539 # HT
- 878 153 30 -0.834 -7.9290129 -0.65092323 -4.2105387 # OT
- 879 153 1 0.417 -7.1720626 -0.065040954 -4.2105387 # HT
- 880 153 1 0.417 -8.6859632 -0.065040954 -4.2105387 # HT
- 881 154 30 -0.834 -5.4658077 1.8122819 -4.2105387 # OT
- 882 154 1 0.417 -4.7088574 2.3981642 -4.2105387 # HT
- 883 154 1 0.417 -6.2227581 2.3981642 -4.2105387 # HT
- 884 155 30 -0.834 -5.4658077 -0.65092323 -1.7473336 # OT
- 885 155 1 0.417 -4.7088574 -0.065040954 -1.7473336 # HT
- 886 155 1 0.417 -6.2227581 -0.065040954 -1.7473336 # HT
- 887 156 30 -0.834 -7.9290129 1.8122819 -1.7473336 # OT
- 888 156 1 0.417 -7.1720626 2.3981642 -1.7473336 # HT
- 889 156 1 0.417 -8.6859632 2.3981642 -1.7473336 # HT
- 890 157 30 -0.834 -7.9290129 -0.65092323 0.71587161 # OT
- 891 157 1 0.417 -7.1720626 -0.065040954 0.71587161 # HT
- 892 157 1 0.417 -8.6859632 -0.065040954 0.71587161 # HT
- 893 158 30 -0.834 -5.4658077 1.8122819 0.71587161 # OT
- 894 158 1 0.417 -4.7088574 2.3981642 0.71587161 # HT
- 895 158 1 0.417 -6.2227581 2.3981642 0.71587161 # HT
- 896 159 30 -0.834 -5.4658077 -0.65092323 3.1790768 # OT
- 897 159 1 0.417 -4.7088574 -0.065040954 3.1790768 # HT
- 898 159 1 0.417 -6.2227581 -0.065040954 3.1790768 # HT
- 899 160 30 -0.834 -7.9290129 1.8122819 3.1790768 # OT
- 900 160 1 0.417 -7.1720626 2.3981642 3.1790768 # HT
- 901 160 1 0.417 -8.6859632 2.3981642 3.1790768 # HT
- 902 161 30 -0.834 -7.9290129 -0.65092323 5.6422819 # OT
- 903 161 1 0.417 -7.1720626 -0.065040954 5.6422819 # HT
- 904 161 1 0.417 -8.6859632 -0.065040954 5.6422819 # HT
- 905 162 30 -0.834 -5.4658077 1.8122819 5.6422819 # OT
- 906 162 1 0.417 -4.7088574 2.3981642 5.6422819 # HT
- 907 162 1 0.417 -6.2227581 2.3981642 5.6422819 # HT
- 908 163 30 -0.834 -5.4658077 -0.65092323 8.1054871 # OT
- 909 163 1 0.417 -4.7088574 -0.065040954 8.1054871 # HT
- 910 163 1 0.417 -6.2227581 -0.065040954 8.1054871 # HT
- 911 164 30 -0.834 -7.9290129 -0.65092323 10.568692 # OT
- 912 164 1 0.417 -7.1720626 -0.065040954 10.568692 # HT
- 913 164 1 0.417 -8.6859632 -0.065040954 10.568692 # HT
- 914 165 30 -0.834 -5.4658077 1.8122819 10.568692 # OT
- 915 165 1 0.417 -4.7088574 2.3981642 10.568692 # HT
- 916 165 1 0.417 -6.2227581 2.3981642 10.568692 # HT
- 917 166 30 -0.834 -5.4658077 -0.65092323 17.958308 # OT
- 918 166 1 0.417 -4.7088574 -0.065040954 17.958308 # HT
- 919 166 1 0.417 -6.2227581 -0.065040954 17.958308 # HT
- 920 167 30 -0.834 -7.9290129 1.8122819 17.958308 # OT
- 921 167 1 0.417 -7.1720626 2.3981642 17.958308 # HT
- 922 167 1 0.417 -8.6859632 2.3981642 17.958308 # HT
- 923 168 30 -0.834 -7.9290129 -0.65092323 20.421513 # OT
- 924 168 1 0.417 -7.1720626 -0.065040954 20.421513 # HT
- 925 168 1 0.417 -8.6859632 -0.065040954 20.421513 # HT
- 926 169 30 -0.834 -5.4658077 -0.65092323 22.884718 # OT
- 927 169 1 0.417 -4.7088574 -0.065040954 22.884718 # HT
- 928 169 1 0.417 -6.2227581 -0.065040954 22.884718 # HT
- 929 170 30 -0.834 -7.9290129 1.8122819 22.884718 # OT
- 930 170 1 0.417 -7.1720626 2.3981642 22.884718 # HT
- 931 170 1 0.417 -8.6859632 2.3981642 22.884718 # HT
- 932 171 30 -0.834 -7.9290129 -0.65092323 25.347923 # OT
- 933 171 1 0.417 -7.1720626 -0.065040954 25.347923 # HT
- 934 171 1 0.417 -8.6859632 -0.065040954 25.347923 # HT
- 935 172 30 -0.834 -5.4658077 1.8122819 25.347923 # OT
- 936 172 1 0.417 -4.7088574 2.3981642 25.347923 # HT
- 937 172 1 0.417 -6.2227581 2.3981642 25.347923 # HT
- 938 173 30 -0.834 -5.4658077 -0.65092323 27.811128 # OT
- 939 173 1 0.417 -4.7088574 -0.065040954 27.811128 # HT
- 940 173 1 0.417 -6.2227581 -0.065040954 27.811128 # HT
- 941 174 30 -0.834 -7.9290129 1.8122819 27.811128 # OT
- 942 174 1 0.417 -7.1720626 2.3981642 27.811128 # HT
- 943 174 1 0.417 -8.6859632 2.3981642 27.811128 # HT
- 944 175 30 -0.834 -7.9290129 -0.65092323 30.274334 # OT
- 945 175 1 0.417 -7.1720626 -0.065040954 30.274334 # HT
- 946 175 1 0.417 -8.6859632 -0.065040954 30.274334 # HT
- 947 176 30 -0.834 -5.4658077 1.8122819 30.274334 # OT
- 948 176 1 0.417 -4.7088574 2.3981642 30.274334 # HT
- 949 176 1 0.417 -6.2227581 2.3981642 30.274334 # HT
- 950 177 30 -0.834 -5.4658077 -0.65092323 32.737539 # OT
- 951 177 1 0.417 -4.7088574 -0.065040954 32.737539 # HT
- 952 177 1 0.417 -6.2227581 -0.065040954 32.737539 # HT
- 953 178 30 -0.834 -7.9290129 1.8122819 32.737539 # OT
- 954 178 1 0.417 -7.1720626 2.3981642 32.737539 # HT
- 955 178 1 0.417 -8.6859632 2.3981642 32.737539 # HT
- 956 179 30 -0.834 -7.9290129 4.2754871 -4.2105387 # OT
- 957 179 1 0.417 -7.1720626 4.8613694 -4.2105387 # HT
- 958 179 1 0.417 -8.6859632 4.8613694 -4.2105387 # HT
- 959 180 30 -0.834 -5.4658077 6.7386923 -4.2105387 # OT
- 960 180 1 0.417 -4.7088574 7.3245745 -4.2105387 # HT
- 961 180 1 0.417 -6.2227581 7.3245745 -4.2105387 # HT
- 962 181 30 -0.834 -5.4658077 4.2754871 -1.7473336 # OT
- 963 181 1 0.417 -4.7088574 4.8613694 -1.7473336 # HT
- 964 181 1 0.417 -6.2227581 4.8613694 -1.7473336 # HT
- 965 182 30 -0.834 -7.9290129 6.7386923 -1.7473336 # OT
- 966 182 1 0.417 -7.1720626 7.3245745 -1.7473336 # HT
- 967 182 1 0.417 -8.6859632 7.3245745 -1.7473336 # HT
- 968 183 30 -0.834 -7.9290129 4.2754871 0.71587161 # OT
- 969 183 1 0.417 -7.1720626 4.8613694 0.71587161 # HT
- 970 183 1 0.417 -8.6859632 4.8613694 0.71587161 # HT
- 971 184 30 -0.834 -5.4658077 6.7386923 0.71587161 # OT
- 972 184 1 0.417 -4.7088574 7.3245745 0.71587161 # HT
- 973 184 1 0.417 -6.2227581 7.3245745 0.71587161 # HT
- 974 185 30 -0.834 -5.4658077 4.2754871 3.1790768 # OT
- 975 185 1 0.417 -4.7088574 4.8613694 3.1790768 # HT
- 976 185 1 0.417 -6.2227581 4.8613694 3.1790768 # HT
- 977 186 30 -0.834 -7.9290129 6.7386923 3.1790768 # OT
- 978 186 1 0.417 -7.1720626 7.3245745 3.1790768 # HT
- 979 186 1 0.417 -8.6859632 7.3245745 3.1790768 # HT
- 980 187 30 -0.834 -7.9290129 4.2754871 5.6422819 # OT
- 981 187 1 0.417 -7.1720626 4.8613694 5.6422819 # HT
- 982 187 1 0.417 -8.6859632 4.8613694 5.6422819 # HT
- 983 188 30 -0.834 -7.9290129 6.7386923 17.958308 # OT
- 984 188 1 0.417 -7.1720626 7.3245745 17.958308 # HT
- 985 188 1 0.417 -8.6859632 7.3245745 17.958308 # HT
- 986 189 30 -0.834 -7.9290129 4.2754871 20.421513 # OT
- 987 189 1 0.417 -7.1720626 4.8613694 20.421513 # HT
- 988 189 1 0.417 -8.6859632 4.8613694 20.421513 # HT
- 989 190 30 -0.834 -7.9290129 4.2754871 25.347923 # OT
- 990 190 1 0.417 -7.1720626 4.8613694 25.347923 # HT
- 991 190 1 0.417 -8.6859632 4.8613694 25.347923 # HT
- 992 191 30 -0.834 -5.4658077 4.2754871 27.811128 # OT
- 993 191 1 0.417 -4.7088574 4.8613694 27.811128 # HT
- 994 191 1 0.417 -6.2227581 4.8613694 27.811128 # HT
- 995 192 30 -0.834 -7.9290129 4.2754871 30.274334 # OT
- 996 192 1 0.417 -7.1720626 4.8613694 30.274334 # HT
- 997 192 1 0.417 -8.6859632 4.8613694 30.274334 # HT
- 998 193 30 -0.834 -5.4658077 6.7386923 30.274334 # OT
- 999 193 1 0.417 -4.7088574 7.3245745 30.274334 # HT
- 1000 193 1 0.417 -6.2227581 7.3245745 30.274334 # HT
- 1001 194 30 -0.834 -5.4658077 4.2754871 32.737539 # OT
- 1002 194 1 0.417 -4.7088574 4.8613694 32.737539 # HT
- 1003 194 1 0.417 -6.2227581 4.8613694 32.737539 # HT
- 1004 195 30 -0.834 -7.9290129 6.7386923 32.737539 # OT
- 1005 195 1 0.417 -7.1720626 7.3245745 32.737539 # HT
- 1006 195 1 0.417 -8.6859632 7.3245745 32.737539 # HT
- 1007 196 30 -0.834 -7.9290129 9.2018974 -4.2105387 # OT
- 1008 196 1 0.417 -7.1720626 9.7877797 -4.2105387 # HT
- 1009 196 1 0.417 -8.6859632 9.7877797 -4.2105387 # HT
- 1010 197 38 1 -7.9290129 9.2018974 0.71587161 # SOD
- 1011 198 30 -0.834 -7.9290129 9.2018974 15.495103 # OT
- 1012 198 1 0.417 -7.1720626 9.7877797 15.495103 # HT
- 1013 198 1 0.417 -8.6859632 9.7877797 15.495103 # HT
- 1014 199 30 -0.834 -5.4658077 9.2018974 32.737539 # OT
- 1015 199 1 0.417 -4.7088574 9.7877797 32.737539 # HT
- 1016 199 1 0.417 -6.2227581 9.7877797 32.737539 # HT
- 1017 200 30 -0.834 -7.9290129 11.665103 32.737539 # OT
- 1018 200 1 0.417 -7.1720626 12.250985 32.737539 # HT
- 1019 200 1 0.417 -8.6859632 12.250985 32.737539 # HT
- 1020 201 30 -0.834 -7.9290129 14.128308 -4.2105387 # OT
- 1021 201 1 0.417 -7.1720626 14.71419 -4.2105387 # HT
- 1022 201 1 0.417 -8.6859632 14.71419 -4.2105387 # HT
- 1023 202 30 -0.834 -7.9290129 16.591513 8.1054871 # OT
- 1024 202 1 0.417 -7.1720626 17.177395 8.1054871 # HT
- 1025 202 1 0.417 -8.6859632 17.177395 8.1054871 # HT
- 1026 203 30 -0.834 -7.9290129 14.128308 10.568692 # OT
- 1027 203 1 0.417 -7.1720626 14.71419 10.568692 # HT
- 1028 203 1 0.417 -8.6859632 14.71419 10.568692 # HT
- 1029 204 30 -0.834 -7.9290129 16.591513 27.811128 # OT
- 1030 204 1 0.417 -7.1720626 17.177395 27.811128 # HT
- 1031 204 1 0.417 -8.6859632 17.177395 27.811128 # HT
- 1032 205 30 -0.834 -7.9290129 14.128308 30.274334 # OT
- 1033 205 1 0.417 -7.1720626 14.71419 30.274334 # HT
- 1034 205 1 0.417 -8.6859632 14.71419 30.274334 # HT
- 1035 206 30 -0.834 -5.4658077 16.591513 30.274334 # OT
- 1036 206 1 0.417 -4.7088574 17.177395 30.274334 # HT
- 1037 206 1 0.417 -6.2227581 17.177395 30.274334 # HT
- 1038 207 30 -0.834 -7.9290129 16.591513 32.737539 # OT
- 1039 207 1 0.417 -7.1720626 17.177395 32.737539 # HT
- 1040 207 1 0.417 -8.6859632 17.177395 32.737539 # HT
- 1041 208 30 -0.834 -7.9290129 19.054718 -4.2105387 # OT
- 1042 208 1 0.417 -7.1720626 19.6406 -4.2105387 # HT
- 1043 208 1 0.417 -8.6859632 19.6406 -4.2105387 # HT
- 1044 209 30 -0.834 -5.4658077 21.517923 -4.2105387 # OT
- 1045 209 1 0.417 -4.7088574 22.103806 -4.2105387 # HT
- 1046 209 1 0.417 -6.2227581 22.103806 -4.2105387 # HT
- 1047 210 30 -0.834 -7.9290129 21.517923 -1.7473336 # OT
- 1048 210 1 0.417 -7.1720626 22.103806 -1.7473336 # HT
- 1049 210 1 0.417 -8.6859632 22.103806 -1.7473336 # HT
- 1050 211 30 -0.834 -7.9290129 21.517923 3.1790768 # OT
- 1051 211 1 0.417 -7.1720626 22.103806 3.1790768 # HT
- 1052 211 1 0.417 -8.6859632 22.103806 3.1790768 # HT
- 1053 212 30 -0.834 -7.9290129 19.054718 5.6422819 # OT
- 1054 212 1 0.417 -7.1720626 19.6406 5.6422819 # HT
- 1055 212 1 0.417 -8.6859632 19.6406 5.6422819 # HT
- 1056 213 30 -0.834 -5.4658077 21.517923 5.6422819 # OT
- 1057 213 1 0.417 -4.7088574 22.103806 5.6422819 # HT
- 1058 213 1 0.417 -6.2227581 22.103806 5.6422819 # HT
- 1059 214 30 -0.834 -7.9290129 21.517923 8.1054871 # OT
- 1060 214 1 0.417 -7.1720626 22.103806 8.1054871 # HT
- 1061 214 1 0.417 -8.6859632 22.103806 8.1054871 # HT
- 1062 215 38 1 -5.4658077 21.517923 20.421513 # SOD
- 1063 216 30 -0.834 -7.9290129 21.517923 22.884718 # OT
- 1064 216 1 0.417 -7.1720626 22.103806 22.884718 # HT
- 1065 216 1 0.417 -8.6859632 22.103806 22.884718 # HT
- 1066 217 30 -0.834 -5.4658077 21.517923 25.347923 # OT
- 1067 217 1 0.417 -4.7088574 22.103806 25.347923 # HT
- 1068 217 1 0.417 -6.2227581 22.103806 25.347923 # HT
- 1069 218 30 -0.834 -5.4658077 19.054718 27.811128 # OT
- 1070 218 1 0.417 -4.7088574 19.6406 27.811128 # HT
- 1071 218 1 0.417 -6.2227581 19.6406 27.811128 # HT
- 1072 219 30 -0.834 -7.9290129 21.517923 27.811128 # OT
- 1073 219 1 0.417 -7.1720626 22.103806 27.811128 # HT
- 1074 219 1 0.417 -8.6859632 22.103806 27.811128 # HT
- 1075 220 30 -0.834 -7.9290129 19.054718 30.274334 # OT
- 1076 220 1 0.417 -7.1720626 19.6406 30.274334 # HT
- 1077 220 1 0.417 -8.6859632 19.6406 30.274334 # HT
- 1078 221 30 -0.834 -5.4658077 21.517923 30.274334 # OT
- 1079 221 1 0.417 -4.7088574 22.103806 30.274334 # HT
- 1080 221 1 0.417 -6.2227581 22.103806 30.274334 # HT
- 1081 222 30 -0.834 -5.4658077 19.054718 32.737539 # OT
- 1082 222 1 0.417 -4.7088574 19.6406 32.737539 # HT
- 1083 222 1 0.417 -6.2227581 19.6406 32.737539 # HT
- 1084 223 30 -0.834 -7.9290129 21.517923 32.737539 # OT
- 1085 223 1 0.417 -7.1720626 22.103806 32.737539 # HT
- 1086 223 1 0.417 -8.6859632 22.103806 32.737539 # HT
- 1087 224 30 -0.834 -3.0026026 -0.65092323 -4.2105387 # OT
- 1088 224 1 0.417 -2.2456523 -0.065040954 -4.2105387 # HT
- 1089 224 1 0.417 -3.7595529 -0.065040954 -4.2105387 # HT
- 1090 225 30 -0.834 -0.53939742 1.8122819 -4.2105387 # OT
- 1091 225 1 0.417 0.21755291 2.3981642 -4.2105387 # HT
- 1092 225 1 0.417 -1.2963477 2.3981642 -4.2105387 # HT
- 1093 226 30 -0.834 -0.53939742 -0.65092323 -1.7473336 # OT
- 1094 226 1 0.417 0.21755291 -0.065040954 -1.7473336 # HT
- 1095 226 1 0.417 -1.2963477 -0.065040954 -1.7473336 # HT
- 1096 227 30 -0.834 -3.0026026 1.8122819 -1.7473336 # OT
- 1097 227 1 0.417 -2.2456523 2.3981642 -1.7473336 # HT
- 1098 227 1 0.417 -3.7595529 2.3981642 -1.7473336 # HT
- 1099 228 30 -0.834 -3.0026026 -0.65092323 0.71587161 # OT
- 1100 228 1 0.417 -2.2456523 -0.065040954 0.71587161 # HT
- 1101 228 1 0.417 -3.7595529 -0.065040954 0.71587161 # HT
- 1102 229 30 -0.834 -0.53939742 1.8122819 0.71587161 # OT
- 1103 229 1 0.417 0.21755291 2.3981642 0.71587161 # HT
- 1104 229 1 0.417 -1.2963477 2.3981642 0.71587161 # HT
- 1105 230 30 -0.834 -0.53939742 -0.65092323 3.1790768 # OT
- 1106 230 1 0.417 0.21755291 -0.065040954 3.1790768 # HT
- 1107 230 1 0.417 -1.2963477 -0.065040954 3.1790768 # HT
- 1108 231 30 -0.834 -3.0026026 1.8122819 3.1790768 # OT
- 1109 231 1 0.417 -2.2456523 2.3981642 3.1790768 # HT
- 1110 231 1 0.417 -3.7595529 2.3981642 3.1790768 # HT
- 1111 232 30 -0.834 -3.0026026 -0.65092323 5.6422819 # OT
- 1112 232 1 0.417 -2.2456523 -0.065040954 5.6422819 # HT
- 1113 232 1 0.417 -3.7595529 -0.065040954 5.6422819 # HT
- 1114 233 30 -0.834 -0.53939742 1.8122819 5.6422819 # OT
- 1115 233 1 0.417 0.21755291 2.3981642 5.6422819 # HT
- 1116 233 1 0.417 -1.2963477 2.3981642 5.6422819 # HT
- 1117 234 30 -0.834 -0.53939742 -0.65092323 8.1054871 # OT
- 1118 234 1 0.417 0.21755291 -0.065040954 8.1054871 # HT
- 1119 234 1 0.417 -1.2963477 -0.065040954 8.1054871 # HT
- 1120 235 30 -0.834 -3.0026026 1.8122819 8.1054871 # OT
- 1121 235 1 0.417 -2.2456523 2.3981642 8.1054871 # HT
- 1122 235 1 0.417 -3.7595529 2.3981642 8.1054871 # HT
- 1123 236 30 -0.834 -3.0026026 -0.65092323 10.568692 # OT
- 1124 236 1 0.417 -2.2456523 -0.065040954 10.568692 # HT
- 1125 236 1 0.417 -3.7595529 -0.065040954 10.568692 # HT
- 1126 237 30 -0.834 -0.53939742 1.8122819 10.568692 # OT
- 1127 237 1 0.417 0.21755291 2.3981642 10.568692 # HT
- 1128 237 1 0.417 -1.2963477 2.3981642 10.568692 # HT
- 1129 238 30 -0.834 -0.53939742 -0.65092323 13.031897 # OT
- 1130 238 1 0.417 0.21755291 -0.065040954 13.031897 # HT
- 1131 238 1 0.417 -1.2963477 -0.065040954 13.031897 # HT
- 1132 239 30 -0.834 -0.53939742 -0.65092323 17.958308 # OT
- 1133 239 1 0.417 0.21755291 -0.065040954 17.958308 # HT
- 1134 239 1 0.417 -1.2963477 -0.065040954 17.958308 # HT
- 1135 240 30 -0.834 -3.0026026 -0.65092323 20.421513 # OT
- 1136 240 1 0.417 -2.2456523 -0.065040954 20.421513 # HT
- 1137 240 1 0.417 -3.7595529 -0.065040954 20.421513 # HT
- 1138 241 30 -0.834 -0.53939742 -0.65092323 22.884718 # OT
- 1139 241 1 0.417 0.21755291 -0.065040954 22.884718 # HT
- 1140 241 1 0.417 -1.2963477 -0.065040954 22.884718 # HT
- 1141 242 30 -0.834 -3.0026026 1.8122819 22.884718 # OT
- 1142 242 1 0.417 -2.2456523 2.3981642 22.884718 # HT
- 1143 242 1 0.417 -3.7595529 2.3981642 22.884718 # HT
- 1144 243 30 -0.834 -3.0026026 -0.65092323 25.347923 # OT
- 1145 243 1 0.417 -2.2456523 -0.065040954 25.347923 # HT
- 1146 243 1 0.417 -3.7595529 -0.065040954 25.347923 # HT
- 1147 244 30 -0.834 -0.53939742 1.8122819 25.347923 # OT
- 1148 244 1 0.417 0.21755291 2.3981642 25.347923 # HT
- 1149 244 1 0.417 -1.2963477 2.3981642 25.347923 # HT
- 1150 245 30 -0.834 -0.53939742 -0.65092323 27.811128 # OT
- 1151 245 1 0.417 0.21755291 -0.065040954 27.811128 # HT
- 1152 245 1 0.417 -1.2963477 -0.065040954 27.811128 # HT
- 1153 246 30 -0.834 -3.0026026 1.8122819 27.811128 # OT
- 1154 246 1 0.417 -2.2456523 2.3981642 27.811128 # HT
- 1155 246 1 0.417 -3.7595529 2.3981642 27.811128 # HT
- 1156 247 30 -0.834 -3.0026026 -0.65092323 30.274334 # OT
- 1157 247 1 0.417 -2.2456523 -0.065040954 30.274334 # HT
- 1158 247 1 0.417 -3.7595529 -0.065040954 30.274334 # HT
- 1159 248 30 -0.834 -0.53939742 1.8122819 30.274334 # OT
- 1160 248 1 0.417 0.21755291 2.3981642 30.274334 # HT
- 1161 248 1 0.417 -1.2963477 2.3981642 30.274334 # HT
- 1162 249 30 -0.834 -0.53939742 -0.65092323 32.737539 # OT
- 1163 249 1 0.417 0.21755291 -0.065040954 32.737539 # HT
- 1164 249 1 0.417 -1.2963477 -0.065040954 32.737539 # HT
- 1165 250 30 -0.834 -3.0026026 1.8122819 32.737539 # OT
- 1166 250 1 0.417 -2.2456523 2.3981642 32.737539 # HT
- 1167 250 1 0.417 -3.7595529 2.3981642 32.737539 # HT
- 1168 251 30 -0.834 -3.0026026 4.2754871 -4.2105387 # OT
- 1169 251 1 0.417 -2.2456523 4.8613694 -4.2105387 # HT
- 1170 251 1 0.417 -3.7595529 4.8613694 -4.2105387 # HT
- 1171 252 30 -0.834 -0.53939742 6.7386923 -4.2105387 # OT
- 1172 252 1 0.417 0.21755291 7.3245745 -4.2105387 # HT
- 1173 252 1 0.417 -1.2963477 7.3245745 -4.2105387 # HT
- 1174 253 30 -0.834 -3.0026026 4.2754871 0.71587161 # OT
- 1175 253 1 0.417 -2.2456523 4.8613694 0.71587161 # HT
- 1176 253 1 0.417 -3.7595529 4.8613694 0.71587161 # HT
- 1177 254 30 -0.834 -3.0026026 4.2754871 5.6422819 # OT
- 1178 254 1 0.417 -2.2456523 4.8613694 5.6422819 # HT
- 1179 254 1 0.417 -3.7595529 4.8613694 5.6422819 # HT
- 1180 255 30 -0.834 -0.53939742 4.2754871 8.1054871 # OT
- 1181 255 1 0.417 0.21755291 4.8613694 8.1054871 # HT
- 1182 255 1 0.417 -1.2963477 4.8613694 8.1054871 # HT
- 1183 256 30 -0.834 -3.0026026 4.2754871 10.568692 # OT
- 1184 256 1 0.417 -2.2456523 4.8613694 10.568692 # HT
- 1185 256 1 0.417 -3.7595529 4.8613694 10.568692 # HT
- 1186 257 30 -0.834 -0.53939742 4.2754871 13.031897 # OT
- 1187 257 1 0.417 0.21755291 4.8613694 13.031897 # HT
- 1188 257 1 0.417 -1.2963477 4.8613694 13.031897 # HT
- 1189 258 30 -0.834 -0.53939742 4.2754871 27.811128 # OT
- 1190 258 1 0.417 0.21755291 4.8613694 27.811128 # HT
- 1191 258 1 0.417 -1.2963477 4.8613694 27.811128 # HT
- 1192 259 30 -0.834 -3.0026026 4.2754871 30.274334 # OT
- 1193 259 1 0.417 -2.2456523 4.8613694 30.274334 # HT
- 1194 259 1 0.417 -3.7595529 4.8613694 30.274334 # HT
- 1195 260 30 -0.834 -0.53939742 6.7386923 30.274334 # OT
- 1196 260 1 0.417 0.21755291 7.3245745 30.274334 # HT
- 1197 260 1 0.417 -1.2963477 7.3245745 30.274334 # HT
- 1198 261 30 -0.834 -0.53939742 4.2754871 32.737539 # OT
- 1199 261 1 0.417 0.21755291 4.8613694 32.737539 # HT
- 1200 261 1 0.417 -1.2963477 4.8613694 32.737539 # HT
- 1201 262 30 -0.834 -3.0026026 6.7386923 32.737539 # OT
- 1202 262 1 0.417 -2.2456523 7.3245745 32.737539 # HT
- 1203 262 1 0.417 -3.7595529 7.3245745 32.737539 # HT
- 1204 263 30 -0.834 -0.53939742 9.2018974 32.737539 # OT
- 1205 263 1 0.417 0.21755291 9.7877797 32.737539 # HT
- 1206 263 1 0.417 -1.2963477 9.7877797 32.737539 # HT
- 1207 264 30 -0.834 -0.53939742 21.517923 -4.2105387 # OT
- 1208 264 1 0.417 0.21755291 22.103806 -4.2105387 # HT
- 1209 264 1 0.417 -1.2963477 22.103806 -4.2105387 # HT
- 1210 265 30 -0.834 -3.0026026 21.517923 -1.7473336 # OT
- 1211 265 1 0.417 -2.2456523 22.103806 -1.7473336 # HT
- 1212 265 1 0.417 -3.7595529 22.103806 -1.7473336 # HT
- 1213 266 30 -0.834 -0.53939742 21.517923 0.71587161 # OT
- 1214 266 1 0.417 0.21755291 22.103806 0.71587161 # HT
- 1215 266 1 0.417 -1.2963477 22.103806 0.71587161 # HT
- 1216 267 30 -0.834 -0.53939742 19.054718 3.1790768 # OT
- 1217 267 1 0.417 0.21755291 19.6406 3.1790768 # HT
- 1218 267 1 0.417 -1.2963477 19.6406 3.1790768 # HT
- 1219 268 30 -0.834 -3.0026026 21.517923 3.1790768 # OT
- 1220 268 1 0.417 -2.2456523 22.103806 3.1790768 # HT
- 1221 268 1 0.417 -3.7595529 22.103806 3.1790768 # HT
- 1222 269 30 -0.834 -3.0026026 19.054718 5.6422819 # OT
- 1223 269 1 0.417 -2.2456523 19.6406 5.6422819 # HT
- 1224 269 1 0.417 -3.7595529 19.6406 5.6422819 # HT
- 1225 270 30 -0.834 -0.53939742 21.517923 5.6422819 # OT
- 1226 270 1 0.417 0.21755291 22.103806 5.6422819 # HT
- 1227 270 1 0.417 -1.2963477 22.103806 5.6422819 # HT
- 1228 271 30 -0.834 -0.53939742 21.517923 15.495103 # OT
- 1229 271 1 0.417 0.21755291 22.103806 15.495103 # HT
- 1230 271 1 0.417 -1.2963477 22.103806 15.495103 # HT
- 1231 272 30 -0.834 -3.0026026 21.517923 17.958308 # OT
- 1232 272 1 0.417 -2.2456523 22.103806 17.958308 # HT
- 1233 272 1 0.417 -3.7595529 22.103806 17.958308 # HT
- 1234 273 30 -0.834 -0.53939742 21.517923 20.421513 # OT
- 1235 273 1 0.417 0.21755291 22.103806 20.421513 # HT
- 1236 273 1 0.417 -1.2963477 22.103806 20.421513 # HT
- 1237 274 30 -0.834 -0.53939742 19.054718 22.884718 # OT
- 1238 274 1 0.417 0.21755291 19.6406 22.884718 # HT
- 1239 274 1 0.417 -1.2963477 19.6406 22.884718 # HT
- 1240 275 30 -0.834 -3.0026026 21.517923 22.884718 # OT
- 1241 275 1 0.417 -2.2456523 22.103806 22.884718 # HT
- 1242 275 1 0.417 -3.7595529 22.103806 22.884718 # HT
- 1243 276 30 -0.834 -0.53939742 21.517923 25.347923 # OT
- 1244 276 1 0.417 0.21755291 22.103806 25.347923 # HT
- 1245 276 1 0.417 -1.2963477 22.103806 25.347923 # HT
- 1246 277 30 -0.834 -0.53939742 19.054718 27.811128 # OT
- 1247 277 1 0.417 0.21755291 19.6406 27.811128 # HT
- 1248 277 1 0.417 -1.2963477 19.6406 27.811128 # HT
- 1249 278 30 -0.834 -3.0026026 21.517923 27.811128 # OT
- 1250 278 1 0.417 -2.2456523 22.103806 27.811128 # HT
- 1251 278 1 0.417 -3.7595529 22.103806 27.811128 # HT
- 1252 279 30 -0.834 -3.0026026 19.054718 30.274334 # OT
- 1253 279 1 0.417 -2.2456523 19.6406 30.274334 # HT
- 1254 279 1 0.417 -3.7595529 19.6406 30.274334 # HT
- 1255 280 30 -0.834 -0.53939742 21.517923 30.274334 # OT
- 1256 280 1 0.417 0.21755291 22.103806 30.274334 # HT
- 1257 280 1 0.417 -1.2963477 22.103806 30.274334 # HT
- 1258 281 30 -0.834 -0.53939742 19.054718 32.737539 # OT
- 1259 281 1 0.417 0.21755291 19.6406 32.737539 # HT
- 1260 281 1 0.417 -1.2963477 19.6406 32.737539 # HT
- 1261 282 30 -0.834 -3.0026026 21.517923 32.737539 # OT
- 1262 282 1 0.417 -2.2456523 22.103806 32.737539 # HT
- 1263 282 1 0.417 -3.7595529 22.103806 32.737539 # HT
- 1264 283 38 1 1.9238077 -0.65092323 -4.2105387 # SOD
- 1265 284 30 -0.834 1.9238077 1.8122819 3.1790768 # OT
- 1266 284 1 0.417 2.6807581 2.3981642 3.1790768 # HT
- 1267 284 1 0.417 1.1668574 2.3981642 3.1790768 # HT
- 1268 285 30 -0.834 1.9238077 -0.65092323 5.6422819 # OT
- 1269 285 1 0.417 2.6807581 -0.065040954 5.6422819 # HT
- 1270 285 1 0.417 1.1668574 -0.065040954 5.6422819 # HT
- 1271 286 30 -0.834 4.3870129 1.8122819 5.6422819 # OT
- 1272 286 1 0.417 5.1439632 2.3981642 5.6422819 # HT
- 1273 286 1 0.417 3.6300626 2.3981642 5.6422819 # HT
- 1274 287 30 -0.834 4.3870129 -0.65092323 8.1054871 # OT
- 1275 287 1 0.417 5.1439632 -0.065040954 8.1054871 # HT
- 1276 287 1 0.417 3.6300626 -0.065040954 8.1054871 # HT
- 1277 288 30 -0.834 1.9238077 1.8122819 8.1054871 # OT
- 1278 288 1 0.417 2.6807581 2.3981642 8.1054871 # HT
- 1279 288 1 0.417 1.1668574 2.3981642 8.1054871 # HT
- 1280 289 30 -0.834 1.9238077 -0.65092323 10.568692 # OT
- 1281 289 1 0.417 2.6807581 -0.065040954 10.568692 # HT
- 1282 289 1 0.417 1.1668574 -0.065040954 10.568692 # HT
- 1283 290 30 -0.834 4.3870129 1.8122819 10.568692 # OT
- 1284 290 1 0.417 5.1439632 2.3981642 10.568692 # HT
- 1285 290 1 0.417 3.6300626 2.3981642 10.568692 # HT
- 1286 291 30 -0.834 4.3870129 -0.65092323 13.031897 # OT
- 1287 291 1 0.417 5.1439632 -0.065040954 13.031897 # HT
- 1288 291 1 0.417 3.6300626 -0.065040954 13.031897 # HT
- 1289 292 30 -0.834 1.9238077 1.8122819 13.031897 # OT
- 1290 292 1 0.417 2.6807581 2.3981642 13.031897 # HT
- 1291 292 1 0.417 1.1668574 2.3981642 13.031897 # HT
- 1292 293 30 -0.834 1.9238077 -0.65092323 15.495103 # OT
- 1293 293 1 0.417 2.6807581 -0.065040954 15.495103 # HT
- 1294 293 1 0.417 1.1668574 -0.065040954 15.495103 # HT
- 1295 294 30 -0.834 4.3870129 1.8122819 15.495103 # OT
- 1296 294 1 0.417 5.1439632 2.3981642 15.495103 # HT
- 1297 294 1 0.417 3.6300626 2.3981642 15.495103 # HT
- 1298 295 30 -0.834 4.3870129 -0.65092323 17.958308 # OT
- 1299 295 1 0.417 5.1439632 -0.065040954 17.958308 # HT
- 1300 295 1 0.417 3.6300626 -0.065040954 17.958308 # HT
- 1301 296 30 -0.834 1.9238077 -0.65092323 20.421513 # OT
- 1302 296 1 0.417 2.6807581 -0.065040954 20.421513 # HT
- 1303 296 1 0.417 1.1668574 -0.065040954 20.421513 # HT
- 1304 297 30 -0.834 4.3870129 1.8122819 20.421513 # OT
- 1305 297 1 0.417 5.1439632 2.3981642 20.421513 # HT
- 1306 297 1 0.417 3.6300626 2.3981642 20.421513 # HT
- 1307 298 30 -0.834 4.3870129 -0.65092323 22.884718 # OT
- 1308 298 1 0.417 5.1439632 -0.065040954 22.884718 # HT
- 1309 298 1 0.417 3.6300626 -0.065040954 22.884718 # HT
- 1310 299 30 -0.834 1.9238077 1.8122819 22.884718 # OT
- 1311 299 1 0.417 2.6807581 2.3981642 22.884718 # HT
- 1312 299 1 0.417 1.1668574 2.3981642 22.884718 # HT
- 1313 300 30 -0.834 1.9238077 -0.65092323 25.347923 # OT
- 1314 300 1 0.417 2.6807581 -0.065040954 25.347923 # HT
- 1315 300 1 0.417 1.1668574 -0.065040954 25.347923 # HT
- 1316 301 30 -0.834 4.3870129 1.8122819 25.347923 # OT
- 1317 301 1 0.417 5.1439632 2.3981642 25.347923 # HT
- 1318 301 1 0.417 3.6300626 2.3981642 25.347923 # HT
- 1319 302 30 -0.834 4.3870129 -0.65092323 27.811128 # OT
- 1320 302 1 0.417 5.1439632 -0.065040954 27.811128 # HT
- 1321 302 1 0.417 3.6300626 -0.065040954 27.811128 # HT
- 1322 303 30 -0.834 1.9238077 1.8122819 27.811128 # OT
- 1323 303 1 0.417 2.6807581 2.3981642 27.811128 # HT
- 1324 303 1 0.417 1.1668574 2.3981642 27.811128 # HT
- 1325 304 30 -0.834 1.9238077 -0.65092323 30.274334 # OT
- 1326 304 1 0.417 2.6807581 -0.065040954 30.274334 # HT
- 1327 304 1 0.417 1.1668574 -0.065040954 30.274334 # HT
- 1328 305 30 -0.834 4.3870129 1.8122819 30.274334 # OT
- 1329 305 1 0.417 5.1439632 2.3981642 30.274334 # HT
- 1330 305 1 0.417 3.6300626 2.3981642 30.274334 # HT
- 1331 306 30 -0.834 4.3870129 -0.65092323 32.737539 # OT
- 1332 306 1 0.417 5.1439632 -0.065040954 32.737539 # HT
- 1333 306 1 0.417 3.6300626 -0.065040954 32.737539 # HT
- 1334 307 30 -0.834 1.9238077 1.8122819 32.737539 # OT
- 1335 307 1 0.417 2.6807581 2.3981642 32.737539 # HT
- 1336 307 1 0.417 1.1668574 2.3981642 32.737539 # HT
- 1337 308 30 -0.834 1.9238077 4.2754871 -4.2105387 # OT
- 1338 308 1 0.417 2.6807581 4.8613694 -4.2105387 # HT
- 1339 308 1 0.417 1.1668574 4.8613694 -4.2105387 # HT
- 1340 309 30 -0.834 4.3870129 6.7386923 -4.2105387 # OT
- 1341 309 1 0.417 5.1439632 7.3245745 -4.2105387 # HT
- 1342 309 1 0.417 3.6300626 7.3245745 -4.2105387 # HT
- 1343 310 30 -0.834 4.3870129 4.2754871 8.1054871 # OT
- 1344 310 1 0.417 5.1439632 4.8613694 8.1054871 # HT
- 1345 310 1 0.417 3.6300626 4.8613694 8.1054871 # HT
- 1346 311 30 -0.834 1.9238077 6.7386923 8.1054871 # OT
- 1347 311 1 0.417 2.6807581 7.3245745 8.1054871 # HT
- 1348 311 1 0.417 1.1668574 7.3245745 8.1054871 # HT
- 1349 312 30 -0.834 1.9238077 4.2754871 10.568692 # OT
- 1350 312 1 0.417 2.6807581 4.8613694 10.568692 # HT
- 1351 312 1 0.417 1.1668574 4.8613694 10.568692 # HT
- 1352 313 30 -0.834 4.3870129 6.7386923 10.568692 # OT
- 1353 313 1 0.417 5.1439632 7.3245745 10.568692 # HT
- 1354 313 1 0.417 3.6300626 7.3245745 10.568692 # HT
- 1355 314 30 -0.834 4.3870129 4.2754871 13.031897 # OT
- 1356 314 1 0.417 5.1439632 4.8613694 13.031897 # HT
- 1357 314 1 0.417 3.6300626 4.8613694 13.031897 # HT
- 1358 315 30 -0.834 1.9238077 6.7386923 13.031897 # OT
- 1359 315 1 0.417 2.6807581 7.3245745 13.031897 # HT
- 1360 315 1 0.417 1.1668574 7.3245745 13.031897 # HT
- 1361 316 30 -0.834 1.9238077 4.2754871 15.495103 # OT
- 1362 316 1 0.417 2.6807581 4.8613694 15.495103 # HT
- 1363 316 1 0.417 1.1668574 4.8613694 15.495103 # HT
- 1364 317 30 -0.834 4.3870129 6.7386923 15.495103 # OT
- 1365 317 1 0.417 5.1439632 7.3245745 15.495103 # HT
- 1366 317 1 0.417 3.6300626 7.3245745 15.495103 # HT
- 1367 318 30 -0.834 4.3870129 4.2754871 17.958308 # OT
- 1368 318 1 0.417 5.1439632 4.8613694 17.958308 # HT
- 1369 318 1 0.417 3.6300626 4.8613694 17.958308 # HT
- 1370 319 30 -0.834 4.3870129 6.7386923 20.421513 # OT
- 1371 319 1 0.417 5.1439632 7.3245745 20.421513 # HT
- 1372 319 1 0.417 3.6300626 7.3245745 20.421513 # HT
- 1373 320 30 -0.834 4.3870129 4.2754871 22.884718 # OT
- 1374 320 1 0.417 5.1439632 4.8613694 22.884718 # HT
- 1375 320 1 0.417 3.6300626 4.8613694 22.884718 # HT
- 1376 321 30 -0.834 1.9238077 4.2754871 25.347923 # OT
- 1377 321 1 0.417 2.6807581 4.8613694 25.347923 # HT
- 1378 321 1 0.417 1.1668574 4.8613694 25.347923 # HT
- 1379 322 30 -0.834 4.3870129 6.7386923 25.347923 # OT
- 1380 322 1 0.417 5.1439632 7.3245745 25.347923 # HT
- 1381 322 1 0.417 3.6300626 7.3245745 25.347923 # HT
- 1382 323 30 -0.834 4.3870129 4.2754871 27.811128 # OT
- 1383 323 1 0.417 5.1439632 4.8613694 27.811128 # HT
- 1384 323 1 0.417 3.6300626 4.8613694 27.811128 # HT
- 1385 324 30 -0.834 1.9238077 6.7386923 27.811128 # OT
- 1386 324 1 0.417 2.6807581 7.3245745 27.811128 # HT
- 1387 324 1 0.417 1.1668574 7.3245745 27.811128 # HT
- 1388 325 30 -0.834 1.9238077 4.2754871 30.274334 # OT
- 1389 325 1 0.417 2.6807581 4.8613694 30.274334 # HT
- 1390 325 1 0.417 1.1668574 4.8613694 30.274334 # HT
- 1391 326 30 -0.834 4.3870129 6.7386923 30.274334 # OT
- 1392 326 1 0.417 5.1439632 7.3245745 30.274334 # HT
- 1393 326 1 0.417 3.6300626 7.3245745 30.274334 # HT
- 1394 327 30 -0.834 4.3870129 4.2754871 32.737539 # OT
- 1395 327 1 0.417 5.1439632 4.8613694 32.737539 # HT
- 1396 327 1 0.417 3.6300626 4.8613694 32.737539 # HT
- 1397 328 30 -0.834 1.9238077 6.7386923 32.737539 # OT
- 1398 328 1 0.417 2.6807581 7.3245745 32.737539 # HT
- 1399 328 1 0.417 1.1668574 7.3245745 32.737539 # HT
- 1400 329 30 -0.834 1.9238077 9.2018974 -4.2105387 # OT
- 1401 329 1 0.417 2.6807581 9.7877797 -4.2105387 # HT
- 1402 329 1 0.417 1.1668574 9.7877797 -4.2105387 # HT
- 1403 330 30 -0.834 4.3870129 11.665103 -4.2105387 # OT
- 1404 330 1 0.417 5.1439632 12.250985 -4.2105387 # HT
- 1405 330 1 0.417 3.6300626 12.250985 -4.2105387 # HT
- 1406 331 30 -0.834 4.3870129 9.2018974 13.031897 # OT
- 1407 331 1 0.417 5.1439632 9.7877797 13.031897 # HT
- 1408 331 1 0.417 3.6300626 9.7877797 13.031897 # HT
- 1409 332 30 -0.834 4.3870129 11.665103 15.495103 # OT
- 1410 332 1 0.417 5.1439632 12.250985 15.495103 # HT
- 1411 332 1 0.417 3.6300626 12.250985 15.495103 # HT
- 1412 333 30 -0.834 4.3870129 9.2018974 17.958308 # OT
- 1413 333 1 0.417 5.1439632 9.7877797 17.958308 # HT
- 1414 333 1 0.417 3.6300626 9.7877797 17.958308 # HT
- 1415 334 30 -0.834 1.9238077 11.665103 17.958308 # OT
- 1416 334 1 0.417 2.6807581 12.250985 17.958308 # HT
- 1417 334 1 0.417 1.1668574 12.250985 17.958308 # HT
- 1418 335 30 -0.834 4.3870129 11.665103 20.421513 # OT
- 1419 335 1 0.417 5.1439632 12.250985 20.421513 # HT
- 1420 335 1 0.417 3.6300626 12.250985 20.421513 # HT
- 1421 336 30 -0.834 4.3870129 9.2018974 22.884718 # OT
- 1422 336 1 0.417 5.1439632 9.7877797 22.884718 # HT
- 1423 336 1 0.417 3.6300626 9.7877797 22.884718 # HT
- 1424 337 30 -0.834 1.9238077 11.665103 22.884718 # OT
- 1425 337 1 0.417 2.6807581 12.250985 22.884718 # HT
- 1426 337 1 0.417 1.1668574 12.250985 22.884718 # HT
- 1427 338 30 -0.834 4.3870129 11.665103 25.347923 # OT
- 1428 338 1 0.417 5.1439632 12.250985 25.347923 # HT
- 1429 338 1 0.417 3.6300626 12.250985 25.347923 # HT
- 1430 339 30 -0.834 4.3870129 9.2018974 27.811128 # OT
- 1431 339 1 0.417 5.1439632 9.7877797 27.811128 # HT
- 1432 339 1 0.417 3.6300626 9.7877797 27.811128 # HT
- 1433 340 30 -0.834 1.9238077 9.2018974 30.274334 # OT
- 1434 340 1 0.417 2.6807581 9.7877797 30.274334 # HT
- 1435 340 1 0.417 1.1668574 9.7877797 30.274334 # HT
- 1436 341 30 -0.834 4.3870129 11.665103 30.274334 # OT
- 1437 341 1 0.417 5.1439632 12.250985 30.274334 # HT
- 1438 341 1 0.417 3.6300626 12.250985 30.274334 # HT
- 1439 342 30 -0.834 4.3870129 9.2018974 32.737539 # OT
- 1440 342 1 0.417 5.1439632 9.7877797 32.737539 # HT
- 1441 342 1 0.417 3.6300626 9.7877797 32.737539 # HT
- 1442 343 30 -0.834 1.9238077 11.665103 32.737539 # OT
- 1443 343 1 0.417 2.6807581 12.250985 32.737539 # HT
- 1444 343 1 0.417 1.1668574 12.250985 32.737539 # HT
- 1445 344 30 -0.834 4.3870129 16.591513 -4.2105387 # OT
- 1446 344 1 0.417 5.1439632 17.177395 -4.2105387 # HT
- 1447 344 1 0.417 3.6300626 17.177395 -4.2105387 # HT
- 1448 345 30 -0.834 4.3870129 14.128308 -1.7473336 # OT
- 1449 345 1 0.417 5.1439632 14.71419 -1.7473336 # HT
- 1450 345 1 0.417 3.6300626 14.71419 -1.7473336 # HT
- 1451 346 30 -0.834 4.3870129 16.591513 0.71587161 # OT
- 1452 346 1 0.417 5.1439632 17.177395 0.71587161 # HT
- 1453 346 1 0.417 3.6300626 17.177395 0.71587161 # HT
- 1454 347 30 -0.834 1.9238077 16.591513 3.1790768 # OT
- 1455 347 1 0.417 2.6807581 17.177395 3.1790768 # HT
- 1456 347 1 0.417 1.1668574 17.177395 3.1790768 # HT
- 1457 348 30 -0.834 4.3870129 16.591513 15.495103 # OT
- 1458 348 1 0.417 5.1439632 17.177395 15.495103 # HT
- 1459 348 1 0.417 3.6300626 17.177395 15.495103 # HT
- 1460 349 30 -0.834 4.3870129 14.128308 17.958308 # OT
- 1461 349 1 0.417 5.1439632 14.71419 17.958308 # HT
- 1462 349 1 0.417 3.6300626 14.71419 17.958308 # HT
- 1463 350 30 -0.834 1.9238077 16.591513 17.958308 # OT
- 1464 350 1 0.417 2.6807581 17.177395 17.958308 # HT
- 1465 350 1 0.417 1.1668574 17.177395 17.958308 # HT
- 1466 351 30 -0.834 1.9238077 14.128308 20.421513 # OT
- 1467 351 1 0.417 2.6807581 14.71419 20.421513 # HT
- 1468 351 1 0.417 1.1668574 14.71419 20.421513 # HT
- 1469 352 38 1 4.3870129 16.591513 20.421513 # SOD
- 1470 353 30 -0.834 4.3870129 14.128308 22.884718 # OT
- 1471 353 1 0.417 5.1439632 14.71419 22.884718 # HT
- 1472 353 1 0.417 3.6300626 14.71419 22.884718 # HT
- 1473 354 30 -0.834 1.9238077 16.591513 22.884718 # OT
- 1474 354 1 0.417 2.6807581 17.177395 22.884718 # HT
- 1475 354 1 0.417 1.1668574 17.177395 22.884718 # HT
- 1476 355 30 -0.834 4.3870129 16.591513 25.347923 # OT
- 1477 355 1 0.417 5.1439632 17.177395 25.347923 # HT
- 1478 355 1 0.417 3.6300626 17.177395 25.347923 # HT
- 1479 356 30 -0.834 4.3870129 14.128308 27.811128 # OT
- 1480 356 1 0.417 5.1439632 14.71419 27.811128 # HT
- 1481 356 1 0.417 3.6300626 14.71419 27.811128 # HT
- 1482 357 30 -0.834 1.9238077 16.591513 27.811128 # OT
- 1483 357 1 0.417 2.6807581 17.177395 27.811128 # HT
- 1484 357 1 0.417 1.1668574 17.177395 27.811128 # HT
- 1485 358 30 -0.834 1.9238077 14.128308 30.274334 # OT
- 1486 358 1 0.417 2.6807581 14.71419 30.274334 # HT
- 1487 358 1 0.417 1.1668574 14.71419 30.274334 # HT
- 1488 359 30 -0.834 4.3870129 16.591513 30.274334 # OT
- 1489 359 1 0.417 5.1439632 17.177395 30.274334 # HT
- 1490 359 1 0.417 3.6300626 17.177395 30.274334 # HT
- 1491 360 30 -0.834 4.3870129 14.128308 32.737539 # OT
- 1492 360 1 0.417 5.1439632 14.71419 32.737539 # HT
- 1493 360 1 0.417 3.6300626 14.71419 32.737539 # HT
- 1494 361 30 -0.834 1.9238077 16.591513 32.737539 # OT
- 1495 361 1 0.417 2.6807581 17.177395 32.737539 # HT
- 1496 361 1 0.417 1.1668574 17.177395 32.737539 # HT
- 1497 362 30 -0.834 4.3870129 21.517923 -4.2105387 # OT
- 1498 362 1 0.417 5.1439632 22.103806 -4.2105387 # HT
- 1499 362 1 0.417 3.6300626 22.103806 -4.2105387 # HT
- 1500 363 30 -0.834 4.3870129 19.054718 -1.7473336 # OT
- 1501 363 1 0.417 5.1439632 19.6406 -1.7473336 # HT
- 1502 363 1 0.417 3.6300626 19.6406 -1.7473336 # HT
- 1503 364 30 -0.834 1.9238077 21.517923 -1.7473336 # OT
- 1504 364 1 0.417 2.6807581 22.103806 -1.7473336 # HT
- 1505 364 1 0.417 1.1668574 22.103806 -1.7473336 # HT
- 1506 365 30 -0.834 1.9238077 19.054718 0.71587161 # OT
- 1507 365 1 0.417 2.6807581 19.6406 0.71587161 # HT
- 1508 365 1 0.417 1.1668574 19.6406 0.71587161 # HT
- 1509 366 30 -0.834 4.3870129 21.517923 0.71587161 # OT
- 1510 366 1 0.417 5.1439632 22.103806 0.71587161 # HT
- 1511 366 1 0.417 3.6300626 22.103806 0.71587161 # HT
- 1512 367 30 -0.834 4.3870129 19.054718 3.1790768 # OT
- 1513 367 1 0.417 5.1439632 19.6406 3.1790768 # HT
- 1514 367 1 0.417 3.6300626 19.6406 3.1790768 # HT
- 1515 368 30 -0.834 1.9238077 21.517923 3.1790768 # OT
- 1516 368 1 0.417 2.6807581 22.103806 3.1790768 # HT
- 1517 368 1 0.417 1.1668574 22.103806 3.1790768 # HT
- 1518 369 30 -0.834 4.3870129 21.517923 5.6422819 # OT
- 1519 369 1 0.417 5.1439632 22.103806 5.6422819 # HT
- 1520 369 1 0.417 3.6300626 22.103806 5.6422819 # HT
- 1521 370 30 -0.834 4.3870129 21.517923 10.568692 # OT
- 1522 370 1 0.417 5.1439632 22.103806 10.568692 # HT
- 1523 370 1 0.417 3.6300626 22.103806 10.568692 # HT
- 1524 371 30 -0.834 4.3870129 19.054718 13.031897 # OT
- 1525 371 1 0.417 5.1439632 19.6406 13.031897 # HT
- 1526 371 1 0.417 3.6300626 19.6406 13.031897 # HT
- 1527 372 30 -0.834 1.9238077 19.054718 15.495103 # OT
- 1528 372 1 0.417 2.6807581 19.6406 15.495103 # HT
- 1529 372 1 0.417 1.1668574 19.6406 15.495103 # HT
- 1530 373 30 -0.834 4.3870129 21.517923 15.495103 # OT
- 1531 373 1 0.417 5.1439632 22.103806 15.495103 # HT
- 1532 373 1 0.417 3.6300626 22.103806 15.495103 # HT
- 1533 374 30 -0.834 4.3870129 19.054718 17.958308 # OT
- 1534 374 1 0.417 5.1439632 19.6406 17.958308 # HT
- 1535 374 1 0.417 3.6300626 19.6406 17.958308 # HT
- 1536 375 30 -0.834 1.9238077 21.517923 17.958308 # OT
- 1537 375 1 0.417 2.6807581 22.103806 17.958308 # HT
- 1538 375 1 0.417 1.1668574 22.103806 17.958308 # HT
- 1539 376 30 -0.834 1.9238077 19.054718 20.421513 # OT
- 1540 376 1 0.417 2.6807581 19.6406 20.421513 # HT
- 1541 376 1 0.417 1.1668574 19.6406 20.421513 # HT
- 1542 377 30 -0.834 4.3870129 21.517923 20.421513 # OT
- 1543 377 1 0.417 5.1439632 22.103806 20.421513 # HT
- 1544 377 1 0.417 3.6300626 22.103806 20.421513 # HT
- 1545 378 30 -0.834 4.3870129 19.054718 22.884718 # OT
- 1546 378 1 0.417 5.1439632 19.6406 22.884718 # HT
- 1547 378 1 0.417 3.6300626 19.6406 22.884718 # HT
- 1548 379 30 -0.834 1.9238077 21.517923 22.884718 # OT
- 1549 379 1 0.417 2.6807581 22.103806 22.884718 # HT
- 1550 379 1 0.417 1.1668574 22.103806 22.884718 # HT
- 1551 380 30 -0.834 1.9238077 19.054718 25.347923 # OT
- 1552 380 1 0.417 2.6807581 19.6406 25.347923 # HT
- 1553 380 1 0.417 1.1668574 19.6406 25.347923 # HT
- 1554 381 30 -0.834 4.3870129 21.517923 25.347923 # OT
- 1555 381 1 0.417 5.1439632 22.103806 25.347923 # HT
- 1556 381 1 0.417 3.6300626 22.103806 25.347923 # HT
- 1557 382 30 -0.834 4.3870129 19.054718 27.811128 # OT
- 1558 382 1 0.417 5.1439632 19.6406 27.811128 # HT
- 1559 382 1 0.417 3.6300626 19.6406 27.811128 # HT
- 1560 383 30 -0.834 1.9238077 21.517923 27.811128 # OT
- 1561 383 1 0.417 2.6807581 22.103806 27.811128 # HT
- 1562 383 1 0.417 1.1668574 22.103806 27.811128 # HT
- 1563 384 30 -0.834 1.9238077 19.054718 30.274334 # OT
- 1564 384 1 0.417 2.6807581 19.6406 30.274334 # HT
- 1565 384 1 0.417 1.1668574 19.6406 30.274334 # HT
- 1566 385 30 -0.834 4.3870129 21.517923 30.274334 # OT
- 1567 385 1 0.417 5.1439632 22.103806 30.274334 # HT
- 1568 385 1 0.417 3.6300626 22.103806 30.274334 # HT
- 1569 386 30 -0.834 4.3870129 19.054718 32.737539 # OT
- 1570 386 1 0.417 5.1439632 19.6406 32.737539 # HT
- 1571 386 1 0.417 3.6300626 19.6406 32.737539 # HT
- 1572 387 30 -0.834 1.9238077 21.517923 32.737539 # OT
- 1573 387 1 0.417 2.6807581 22.103806 32.737539 # HT
- 1574 387 1 0.417 1.1668574 22.103806 32.737539 # HT
- 1575 388 30 -0.834 6.8502181 -0.65092323 -4.2105387 # OT
- 1576 388 1 0.417 7.6071684 -0.065040954 -4.2105387 # HT
- 1577 388 1 0.417 6.0932677 -0.065040954 -4.2105387 # HT
- 1578 389 30 -0.834 9.3134232 1.8122819 -4.2105387 # OT
- 1579 389 1 0.417 10.070374 2.3981642 -4.2105387 # HT
- 1580 389 1 0.417 8.5564729 2.3981642 -4.2105387 # HT
- 1581 390 30 -0.834 9.3134232 -0.65092323 -1.7473336 # OT
- 1582 390 1 0.417 10.070374 -0.065040954 -1.7473336 # HT
- 1583 390 1 0.417 8.5564729 -0.065040954 -1.7473336 # HT
- 1584 391 30 -0.834 9.3134232 1.8122819 0.71587161 # OT
- 1585 391 1 0.417 10.070374 2.3981642 0.71587161 # HT
- 1586 391 1 0.417 8.5564729 2.3981642 0.71587161 # HT
- 1587 392 30 -0.834 9.3134232 -0.65092323 3.1790768 # OT
- 1588 392 1 0.417 10.070374 -0.065040954 3.1790768 # HT
- 1589 392 1 0.417 8.5564729 -0.065040954 3.1790768 # HT
- 1590 393 30 -0.834 6.8502181 -0.65092323 5.6422819 # OT
- 1591 393 1 0.417 7.6071684 -0.065040954 5.6422819 # HT
- 1592 393 1 0.417 6.0932677 -0.065040954 5.6422819 # HT
- 1593 394 30 -0.834 9.3134232 1.8122819 5.6422819 # OT
- 1594 394 1 0.417 10.070374 2.3981642 5.6422819 # HT
- 1595 394 1 0.417 8.5564729 2.3981642 5.6422819 # HT
- 1596 395 30 -0.834 9.3134232 -0.65092323 8.1054871 # OT
- 1597 395 1 0.417 10.070374 -0.065040954 8.1054871 # HT
- 1598 395 1 0.417 8.5564729 -0.065040954 8.1054871 # HT
- 1599 396 30 -0.834 6.8502181 1.8122819 8.1054871 # OT
- 1600 396 1 0.417 7.6071684 2.3981642 8.1054871 # HT
- 1601 396 1 0.417 6.0932677 2.3981642 8.1054871 # HT
- 1602 397 30 -0.834 6.8502181 -0.65092323 10.568692 # OT
- 1603 397 1 0.417 7.6071684 -0.065040954 10.568692 # HT
- 1604 397 1 0.417 6.0932677 -0.065040954 10.568692 # HT
- 1605 398 30 -0.834 9.3134232 1.8122819 10.568692 # OT
- 1606 398 1 0.417 10.070374 2.3981642 10.568692 # HT
- 1607 398 1 0.417 8.5564729 2.3981642 10.568692 # HT
- 1608 399 30 -0.834 9.3134232 -0.65092323 13.031897 # OT
- 1609 399 1 0.417 10.070374 -0.065040954 13.031897 # HT
- 1610 399 1 0.417 8.5564729 -0.065040954 13.031897 # HT
- 1611 400 30 -0.834 6.8502181 1.8122819 13.031897 # OT
- 1612 400 1 0.417 7.6071684 2.3981642 13.031897 # HT
- 1613 400 1 0.417 6.0932677 2.3981642 13.031897 # HT
- 1614 401 30 -0.834 6.8502181 -0.65092323 15.495103 # OT
- 1615 401 1 0.417 7.6071684 -0.065040954 15.495103 # HT
- 1616 401 1 0.417 6.0932677 -0.065040954 15.495103 # HT
- 1617 402 30 -0.834 9.3134232 1.8122819 15.495103 # OT
- 1618 402 1 0.417 10.070374 2.3981642 15.495103 # HT
- 1619 402 1 0.417 8.5564729 2.3981642 15.495103 # HT
- 1620 403 30 -0.834 9.3134232 -0.65092323 17.958308 # OT
- 1621 403 1 0.417 10.070374 -0.065040954 17.958308 # HT
- 1622 403 1 0.417 8.5564729 -0.065040954 17.958308 # HT
- 1623 404 30 -0.834 6.8502181 1.8122819 17.958308 # OT
- 1624 404 1 0.417 7.6071684 2.3981642 17.958308 # HT
- 1625 404 1 0.417 6.0932677 2.3981642 17.958308 # HT
- 1626 405 30 -0.834 6.8502181 -0.65092323 20.421513 # OT
- 1627 405 1 0.417 7.6071684 -0.065040954 20.421513 # HT
- 1628 405 1 0.417 6.0932677 -0.065040954 20.421513 # HT
- 1629 406 30 -0.834 9.3134232 1.8122819 20.421513 # OT
- 1630 406 1 0.417 10.070374 2.3981642 20.421513 # HT
- 1631 406 1 0.417 8.5564729 2.3981642 20.421513 # HT
- 1632 407 30 -0.834 9.3134232 -0.65092323 22.884718 # OT
- 1633 407 1 0.417 10.070374 -0.065040954 22.884718 # HT
- 1634 407 1 0.417 8.5564729 -0.065040954 22.884718 # HT
- 1635 408 30 -0.834 6.8502181 1.8122819 22.884718 # OT
- 1636 408 1 0.417 7.6071684 2.3981642 22.884718 # HT
- 1637 408 1 0.417 6.0932677 2.3981642 22.884718 # HT
- 1638 409 30 -0.834 6.8502181 -0.65092323 25.347923 # OT
- 1639 409 1 0.417 7.6071684 -0.065040954 25.347923 # HT
- 1640 409 1 0.417 6.0932677 -0.065040954 25.347923 # HT
- 1641 410 30 -0.834 9.3134232 1.8122819 25.347923 # OT
- 1642 410 1 0.417 10.070374 2.3981642 25.347923 # HT
- 1643 410 1 0.417 8.5564729 2.3981642 25.347923 # HT
- 1644 411 30 -0.834 9.3134232 -0.65092323 27.811128 # OT
- 1645 411 1 0.417 10.070374 -0.065040954 27.811128 # HT
- 1646 411 1 0.417 8.5564729 -0.065040954 27.811128 # HT
- 1647 412 30 -0.834 6.8502181 1.8122819 27.811128 # OT
- 1648 412 1 0.417 7.6071684 2.3981642 27.811128 # HT
- 1649 412 1 0.417 6.0932677 2.3981642 27.811128 # HT
- 1650 413 30 -0.834 6.8502181 -0.65092323 30.274334 # OT
- 1651 413 1 0.417 7.6071684 -0.065040954 30.274334 # HT
- 1652 413 1 0.417 6.0932677 -0.065040954 30.274334 # HT
- 1653 414 30 -0.834 9.3134232 1.8122819 30.274334 # OT
- 1654 414 1 0.417 10.070374 2.3981642 30.274334 # HT
- 1655 414 1 0.417 8.5564729 2.3981642 30.274334 # HT
- 1656 415 30 -0.834 9.3134232 -0.65092323 32.737539 # OT
- 1657 415 1 0.417 10.070374 -0.065040954 32.737539 # HT
- 1658 415 1 0.417 8.5564729 -0.065040954 32.737539 # HT
- 1659 416 30 -0.834 6.8502181 1.8122819 32.737539 # OT
- 1660 416 1 0.417 7.6071684 2.3981642 32.737539 # HT
- 1661 416 1 0.417 6.0932677 2.3981642 32.737539 # HT
- 1662 417 30 -0.834 9.3134232 6.7386923 -4.2105387 # OT
- 1663 417 1 0.417 10.070374 7.3245745 -4.2105387 # HT
- 1664 417 1 0.417 8.5564729 7.3245745 -4.2105387 # HT
- 1665 418 30 -0.834 9.3134232 6.7386923 5.6422819 # OT
- 1666 418 1 0.417 10.070374 7.3245745 5.6422819 # HT
- 1667 418 1 0.417 8.5564729 7.3245745 5.6422819 # HT
- 1668 419 30 -0.834 9.3134232 4.2754871 8.1054871 # OT
- 1669 419 1 0.417 10.070374 4.8613694 8.1054871 # HT
- 1670 419 1 0.417 8.5564729 4.8613694 8.1054871 # HT
- 1671 420 30 -0.834 6.8502181 6.7386923 8.1054871 # OT
- 1672 420 1 0.417 7.6071684 7.3245745 8.1054871 # HT
- 1673 420 1 0.417 6.0932677 7.3245745 8.1054871 # HT
- 1674 421 30 -0.834 6.8502181 4.2754871 10.568692 # OT
- 1675 421 1 0.417 7.6071684 4.8613694 10.568692 # HT
- 1676 421 1 0.417 6.0932677 4.8613694 10.568692 # HT
- 1677 422 30 -0.834 9.3134232 6.7386923 10.568692 # OT
- 1678 422 1 0.417 10.070374 7.3245745 10.568692 # HT
- 1679 422 1 0.417 8.5564729 7.3245745 10.568692 # HT
- 1680 423 30 -0.834 9.3134232 4.2754871 13.031897 # OT
- 1681 423 1 0.417 10.070374 4.8613694 13.031897 # HT
- 1682 423 1 0.417 8.5564729 4.8613694 13.031897 # HT
- 1683 424 30 -0.834 6.8502181 6.7386923 13.031897 # OT
- 1684 424 1 0.417 7.6071684 7.3245745 13.031897 # HT
- 1685 424 1 0.417 6.0932677 7.3245745 13.031897 # HT
- 1686 425 30 -0.834 6.8502181 4.2754871 15.495103 # OT
- 1687 425 1 0.417 7.6071684 4.8613694 15.495103 # HT
- 1688 425 1 0.417 6.0932677 4.8613694 15.495103 # HT
- 1689 426 30 -0.834 9.3134232 6.7386923 15.495103 # OT
- 1690 426 1 0.417 10.070374 7.3245745 15.495103 # HT
- 1691 426 1 0.417 8.5564729 7.3245745 15.495103 # HT
- 1692 427 30 -0.834 9.3134232 4.2754871 17.958308 # OT
- 1693 427 1 0.417 10.070374 4.8613694 17.958308 # HT
- 1694 427 1 0.417 8.5564729 4.8613694 17.958308 # HT
- 1695 428 30 -0.834 6.8502181 6.7386923 17.958308 # OT
- 1696 428 1 0.417 7.6071684 7.3245745 17.958308 # HT
- 1697 428 1 0.417 6.0932677 7.3245745 17.958308 # HT
- 1698 429 30 -0.834 6.8502181 4.2754871 20.421513 # OT
- 1699 429 1 0.417 7.6071684 4.8613694 20.421513 # HT
- 1700 429 1 0.417 6.0932677 4.8613694 20.421513 # HT
- 1701 430 30 -0.834 9.3134232 6.7386923 20.421513 # OT
- 1702 430 1 0.417 10.070374 7.3245745 20.421513 # HT
- 1703 430 1 0.417 8.5564729 7.3245745 20.421513 # HT
- 1704 431 30 -0.834 9.3134232 4.2754871 22.884718 # OT
- 1705 431 1 0.417 10.070374 4.8613694 22.884718 # HT
- 1706 431 1 0.417 8.5564729 4.8613694 22.884718 # HT
- 1707 432 30 -0.834 6.8502181 6.7386923 22.884718 # OT
- 1708 432 1 0.417 7.6071684 7.3245745 22.884718 # HT
- 1709 432 1 0.417 6.0932677 7.3245745 22.884718 # HT
- 1710 433 30 -0.834 6.8502181 4.2754871 25.347923 # OT
- 1711 433 1 0.417 7.6071684 4.8613694 25.347923 # HT
- 1712 433 1 0.417 6.0932677 4.8613694 25.347923 # HT
- 1713 434 30 -0.834 9.3134232 6.7386923 25.347923 # OT
- 1714 434 1 0.417 10.070374 7.3245745 25.347923 # HT
- 1715 434 1 0.417 8.5564729 7.3245745 25.347923 # HT
- 1716 435 30 -0.834 9.3134232 4.2754871 27.811128 # OT
- 1717 435 1 0.417 10.070374 4.8613694 27.811128 # HT
- 1718 435 1 0.417 8.5564729 4.8613694 27.811128 # HT
- 1719 436 30 -0.834 6.8502181 6.7386923 27.811128 # OT
- 1720 436 1 0.417 7.6071684 7.3245745 27.811128 # HT
- 1721 436 1 0.417 6.0932677 7.3245745 27.811128 # HT
- 1722 437 38 1 6.8502181 4.2754871 30.274334 # SOD
- 1723 438 30 -0.834 9.3134232 6.7386923 30.274334 # OT
- 1724 438 1 0.417 10.070374 7.3245745 30.274334 # HT
- 1725 438 1 0.417 8.5564729 7.3245745 30.274334 # HT
- 1726 439 30 -0.834 9.3134232 4.2754871 32.737539 # OT
- 1727 439 1 0.417 10.070374 4.8613694 32.737539 # HT
- 1728 439 1 0.417 8.5564729 4.8613694 32.737539 # HT
- 1729 440 30 -0.834 6.8502181 6.7386923 32.737539 # OT
- 1730 440 1 0.417 7.6071684 7.3245745 32.737539 # HT
- 1731 440 1 0.417 6.0932677 7.3245745 32.737539 # HT
- 1732 441 30 -0.834 6.8502181 9.2018974 -4.2105387 # OT
- 1733 441 1 0.417 7.6071684 9.7877797 -4.2105387 # HT
- 1734 441 1 0.417 6.0932677 9.7877797 -4.2105387 # HT
- 1735 442 30 -0.834 9.3134232 11.665103 -4.2105387 # OT
- 1736 442 1 0.417 10.070374 12.250985 -4.2105387 # HT
- 1737 442 1 0.417 8.5564729 12.250985 -4.2105387 # HT
- 1738 443 30 -0.834 9.3134232 9.2018974 -1.7473336 # OT
- 1739 443 1 0.417 10.070374 9.7877797 -1.7473336 # HT
- 1740 443 1 0.417 8.5564729 9.7877797 -1.7473336 # HT
- 1741 444 30 -0.834 6.8502181 11.665103 -1.7473336 # OT
- 1742 444 1 0.417 7.6071684 12.250985 -1.7473336 # HT
- 1743 444 1 0.417 6.0932677 12.250985 -1.7473336 # HT
- 1744 445 30 -0.834 9.3134232 11.665103 0.71587161 # OT
- 1745 445 1 0.417 10.070374 12.250985 0.71587161 # HT
- 1746 445 1 0.417 8.5564729 12.250985 0.71587161 # HT
- 1747 446 30 -0.834 6.8502181 9.2018974 10.568692 # OT
- 1748 446 1 0.417 7.6071684 9.7877797 10.568692 # HT
- 1749 446 1 0.417 6.0932677 9.7877797 10.568692 # HT
- 1750 447 30 -0.834 9.3134232 11.665103 10.568692 # OT
- 1751 447 1 0.417 10.070374 12.250985 10.568692 # HT
- 1752 447 1 0.417 8.5564729 12.250985 10.568692 # HT
- 1753 448 30 -0.834 9.3134232 9.2018974 13.031897 # OT
- 1754 448 1 0.417 10.070374 9.7877797 13.031897 # HT
- 1755 448 1 0.417 8.5564729 9.7877797 13.031897 # HT
- 1756 449 30 -0.834 6.8502181 11.665103 13.031897 # OT
- 1757 449 1 0.417 7.6071684 12.250985 13.031897 # HT
- 1758 449 1 0.417 6.0932677 12.250985 13.031897 # HT
- 1759 450 30 -0.834 6.8502181 9.2018974 15.495103 # OT
- 1760 450 1 0.417 7.6071684 9.7877797 15.495103 # HT
- 1761 450 1 0.417 6.0932677 9.7877797 15.495103 # HT
- 1762 451 30 -0.834 9.3134232 11.665103 15.495103 # OT
- 1763 451 1 0.417 10.070374 12.250985 15.495103 # HT
- 1764 451 1 0.417 8.5564729 12.250985 15.495103 # HT
- 1765 452 30 -0.834 9.3134232 9.2018974 17.958308 # OT
- 1766 452 1 0.417 10.070374 9.7877797 17.958308 # HT
- 1767 452 1 0.417 8.5564729 9.7877797 17.958308 # HT
- 1768 453 30 -0.834 6.8502181 11.665103 17.958308 # OT
- 1769 453 1 0.417 7.6071684 12.250985 17.958308 # HT
- 1770 453 1 0.417 6.0932677 12.250985 17.958308 # HT
- 1771 454 30 -0.834 6.8502181 9.2018974 20.421513 # OT
- 1772 454 1 0.417 7.6071684 9.7877797 20.421513 # HT
- 1773 454 1 0.417 6.0932677 9.7877797 20.421513 # HT
- 1774 455 30 -0.834 9.3134232 11.665103 20.421513 # OT
- 1775 455 1 0.417 10.070374 12.250985 20.421513 # HT
- 1776 455 1 0.417 8.5564729 12.250985 20.421513 # HT
- 1777 456 30 -0.834 9.3134232 9.2018974 22.884718 # OT
- 1778 456 1 0.417 10.070374 9.7877797 22.884718 # HT
- 1779 456 1 0.417 8.5564729 9.7877797 22.884718 # HT
- 1780 457 30 -0.834 6.8502181 11.665103 22.884718 # OT
- 1781 457 1 0.417 7.6071684 12.250985 22.884718 # HT
- 1782 457 1 0.417 6.0932677 12.250985 22.884718 # HT
- 1783 458 38 1 6.8502181 9.2018974 25.347923 # SOD
- 1784 459 30 -0.834 9.3134232 11.665103 25.347923 # OT
- 1785 459 1 0.417 10.070374 12.250985 25.347923 # HT
- 1786 459 1 0.417 8.5564729 12.250985 25.347923 # HT
- 1787 460 30 -0.834 9.3134232 9.2018974 27.811128 # OT
- 1788 460 1 0.417 10.070374 9.7877797 27.811128 # HT
- 1789 460 1 0.417 8.5564729 9.7877797 27.811128 # HT
- 1790 461 30 -0.834 6.8502181 11.665103 27.811128 # OT
- 1791 461 1 0.417 7.6071684 12.250985 27.811128 # HT
- 1792 461 1 0.417 6.0932677 12.250985 27.811128 # HT
- 1793 462 30 -0.834 6.8502181 9.2018974 30.274334 # OT
- 1794 462 1 0.417 7.6071684 9.7877797 30.274334 # HT
- 1795 462 1 0.417 6.0932677 9.7877797 30.274334 # HT
- 1796 463 30 -0.834 9.3134232 11.665103 30.274334 # OT
- 1797 463 1 0.417 10.070374 12.250985 30.274334 # HT
- 1798 463 1 0.417 8.5564729 12.250985 30.274334 # HT
- 1799 464 30 -0.834 9.3134232 9.2018974 32.737539 # OT
- 1800 464 1 0.417 10.070374 9.7877797 32.737539 # HT
- 1801 464 1 0.417 8.5564729 9.7877797 32.737539 # HT
- 1802 465 30 -0.834 6.8502181 11.665103 32.737539 # OT
- 1803 465 1 0.417 7.6071684 12.250985 32.737539 # HT
- 1804 465 1 0.417 6.0932677 12.250985 32.737539 # HT
- 1805 466 30 -0.834 6.8502181 14.128308 -4.2105387 # OT
- 1806 466 1 0.417 7.6071684 14.71419 -4.2105387 # HT
- 1807 466 1 0.417 6.0932677 14.71419 -4.2105387 # HT
- 1808 467 30 -0.834 9.3134232 16.591513 -4.2105387 # OT
- 1809 467 1 0.417 10.070374 17.177395 -4.2105387 # HT
- 1810 467 1 0.417 8.5564729 17.177395 -4.2105387 # HT
- 1811 468 38 1 9.3134232 14.128308 -1.7473336 # SOD
- 1812 469 30 -0.834 6.8502181 16.591513 -1.7473336 # OT
- 1813 469 1 0.417 7.6071684 17.177395 -1.7473336 # HT
- 1814 469 1 0.417 6.0932677 17.177395 -1.7473336 # HT
- 1815 470 30 -0.834 6.8502181 14.128308 0.71587161 # OT
- 1816 470 1 0.417 7.6071684 14.71419 0.71587161 # HT
- 1817 470 1 0.417 6.0932677 14.71419 0.71587161 # HT
- 1818 471 30 -0.834 9.3134232 16.591513 0.71587161 # OT
- 1819 471 1 0.417 10.070374 17.177395 0.71587161 # HT
- 1820 471 1 0.417 8.5564729 17.177395 0.71587161 # HT
- 1821 472 30 -0.834 9.3134232 16.591513 5.6422819 # OT
- 1822 472 1 0.417 10.070374 17.177395 5.6422819 # HT
- 1823 472 1 0.417 8.5564729 17.177395 5.6422819 # HT
- 1824 473 30 -0.834 9.3134232 14.128308 8.1054871 # OT
- 1825 473 1 0.417 10.070374 14.71419 8.1054871 # HT
- 1826 473 1 0.417 8.5564729 14.71419 8.1054871 # HT
- 1827 474 30 -0.834 9.3134232 16.591513 10.568692 # OT
- 1828 474 1 0.417 10.070374 17.177395 10.568692 # HT
- 1829 474 1 0.417 8.5564729 17.177395 10.568692 # HT
- 1830 475 30 -0.834 9.3134232 14.128308 13.031897 # OT
- 1831 475 1 0.417 10.070374 14.71419 13.031897 # HT
- 1832 475 1 0.417 8.5564729 14.71419 13.031897 # HT
- 1833 476 30 -0.834 6.8502181 16.591513 13.031897 # OT
- 1834 476 1 0.417 7.6071684 17.177395 13.031897 # HT
- 1835 476 1 0.417 6.0932677 17.177395 13.031897 # HT
- 1836 477 30 -0.834 6.8502181 14.128308 15.495103 # OT
- 1837 477 1 0.417 7.6071684 14.71419 15.495103 # HT
- 1838 477 1 0.417 6.0932677 14.71419 15.495103 # HT
- 1839 478 30 -0.834 9.3134232 16.591513 15.495103 # OT
- 1840 478 1 0.417 10.070374 17.177395 15.495103 # HT
- 1841 478 1 0.417 8.5564729 17.177395 15.495103 # HT
- 1842 479 30 -0.834 9.3134232 14.128308 17.958308 # OT
- 1843 479 1 0.417 10.070374 14.71419 17.958308 # HT
- 1844 479 1 0.417 8.5564729 14.71419 17.958308 # HT
- 1845 480 38 1 6.8502181 16.591513 17.958308 # SOD
- 1846 481 30 -0.834 6.8502181 14.128308 20.421513 # OT
- 1847 481 1 0.417 7.6071684 14.71419 20.421513 # HT
- 1848 481 1 0.417 6.0932677 14.71419 20.421513 # HT
- 1849 482 30 -0.834 9.3134232 16.591513 20.421513 # OT
- 1850 482 1 0.417 10.070374 17.177395 20.421513 # HT
- 1851 482 1 0.417 8.5564729 17.177395 20.421513 # HT
- 1852 483 30 -0.834 9.3134232 14.128308 22.884718 # OT
- 1853 483 1 0.417 10.070374 14.71419 22.884718 # HT
- 1854 483 1 0.417 8.5564729 14.71419 22.884718 # HT
- 1855 484 30 -0.834 6.8502181 16.591513 22.884718 # OT
- 1856 484 1 0.417 7.6071684 17.177395 22.884718 # HT
- 1857 484 1 0.417 6.0932677 17.177395 22.884718 # HT
- 1858 485 30 -0.834 6.8502181 14.128308 25.347923 # OT
- 1859 485 1 0.417 7.6071684 14.71419 25.347923 # HT
- 1860 485 1 0.417 6.0932677 14.71419 25.347923 # HT
- 1861 486 30 -0.834 9.3134232 16.591513 25.347923 # OT
- 1862 486 1 0.417 10.070374 17.177395 25.347923 # HT
- 1863 486 1 0.417 8.5564729 17.177395 25.347923 # HT
- 1864 487 30 -0.834 9.3134232 14.128308 27.811128 # OT
- 1865 487 1 0.417 10.070374 14.71419 27.811128 # HT
- 1866 487 1 0.417 8.5564729 14.71419 27.811128 # HT
- 1867 488 30 -0.834 6.8502181 16.591513 27.811128 # OT
- 1868 488 1 0.417 7.6071684 17.177395 27.811128 # HT
- 1869 488 1 0.417 6.0932677 17.177395 27.811128 # HT
- 1870 489 30 -0.834 6.8502181 14.128308 30.274334 # OT
- 1871 489 1 0.417 7.6071684 14.71419 30.274334 # HT
- 1872 489 1 0.417 6.0932677 14.71419 30.274334 # HT
- 1873 490 30 -0.834 9.3134232 16.591513 30.274334 # OT
- 1874 490 1 0.417 10.070374 17.177395 30.274334 # HT
- 1875 490 1 0.417 8.5564729 17.177395 30.274334 # HT
- 1876 491 30 -0.834 9.3134232 14.128308 32.737539 # OT
- 1877 491 1 0.417 10.070374 14.71419 32.737539 # HT
- 1878 491 1 0.417 8.5564729 14.71419 32.737539 # HT
- 1879 492 30 -0.834 6.8502181 16.591513 32.737539 # OT
- 1880 492 1 0.417 7.6071684 17.177395 32.737539 # HT
- 1881 492 1 0.417 6.0932677 17.177395 32.737539 # HT
- 1882 493 30 -0.834 6.8502181 19.054718 -4.2105387 # OT
- 1883 493 1 0.417 7.6071684 19.6406 -4.2105387 # HT
- 1884 493 1 0.417 6.0932677 19.6406 -4.2105387 # HT
- 1885 494 30 -0.834 9.3134232 21.517923 -4.2105387 # OT
- 1886 494 1 0.417 10.070374 22.103806 -4.2105387 # HT
- 1887 494 1 0.417 8.5564729 22.103806 -4.2105387 # HT
- 1888 495 30 -0.834 9.3134232 19.054718 -1.7473336 # OT
- 1889 495 1 0.417 10.070374 19.6406 -1.7473336 # HT
- 1890 495 1 0.417 8.5564729 19.6406 -1.7473336 # HT
- 1891 496 30 -0.834 6.8502181 21.517923 -1.7473336 # OT
- 1892 496 1 0.417 7.6071684 22.103806 -1.7473336 # HT
- 1893 496 1 0.417 6.0932677 22.103806 -1.7473336 # HT
- 1894 497 30 -0.834 6.8502181 19.054718 0.71587161 # OT
- 1895 497 1 0.417 7.6071684 19.6406 0.71587161 # HT
- 1896 497 1 0.417 6.0932677 19.6406 0.71587161 # HT
- 1897 498 30 -0.834 9.3134232 21.517923 0.71587161 # OT
- 1898 498 1 0.417 10.070374 22.103806 0.71587161 # HT
- 1899 498 1 0.417 8.5564729 22.103806 0.71587161 # HT
- 1900 499 30 -0.834 9.3134232 19.054718 3.1790768 # OT
- 1901 499 1 0.417 10.070374 19.6406 3.1790768 # HT
- 1902 499 1 0.417 8.5564729 19.6406 3.1790768 # HT
- 1903 500 30 -0.834 6.8502181 21.517923 3.1790768 # OT
- 1904 500 1 0.417 7.6071684 22.103806 3.1790768 # HT
- 1905 500 1 0.417 6.0932677 22.103806 3.1790768 # HT
- 1906 501 30 -0.834 9.3134232 21.517923 5.6422819 # OT
- 1907 501 1 0.417 10.070374 22.103806 5.6422819 # HT
- 1908 501 1 0.417 8.5564729 22.103806 5.6422819 # HT
- 1909 502 30 -0.834 9.3134232 19.054718 8.1054871 # OT
- 1910 502 1 0.417 10.070374 19.6406 8.1054871 # HT
- 1911 502 1 0.417 8.5564729 19.6406 8.1054871 # HT
- 1912 503 30 -0.834 6.8502181 21.517923 8.1054871 # OT
- 1913 503 1 0.417 7.6071684 22.103806 8.1054871 # HT
- 1914 503 1 0.417 6.0932677 22.103806 8.1054871 # HT
- 1915 504 38 1 6.8502181 19.054718 10.568692 # SOD
- 1916 505 30 -0.834 9.3134232 21.517923 10.568692 # OT
- 1917 505 1 0.417 10.070374 22.103806 10.568692 # HT
- 1918 505 1 0.417 8.5564729 22.103806 10.568692 # HT
- 1919 506 30 -0.834 9.3134232 19.054718 13.031897 # OT
- 1920 506 1 0.417 10.070374 19.6406 13.031897 # HT
- 1921 506 1 0.417 8.5564729 19.6406 13.031897 # HT
- 1922 507 30 -0.834 6.8502181 21.517923 13.031897 # OT
- 1923 507 1 0.417 7.6071684 22.103806 13.031897 # HT
- 1924 507 1 0.417 6.0932677 22.103806 13.031897 # HT
- 1925 508 30 -0.834 6.8502181 19.054718 15.495103 # OT
- 1926 508 1 0.417 7.6071684 19.6406 15.495103 # HT
- 1927 508 1 0.417 6.0932677 19.6406 15.495103 # HT
- 1928 509 30 -0.834 9.3134232 21.517923 15.495103 # OT
- 1929 509 1 0.417 10.070374 22.103806 15.495103 # HT
- 1930 509 1 0.417 8.5564729 22.103806 15.495103 # HT
- 1931 510 30 -0.834 9.3134232 19.054718 17.958308 # OT
- 1932 510 1 0.417 10.070374 19.6406 17.958308 # HT
- 1933 510 1 0.417 8.5564729 19.6406 17.958308 # HT
- 1934 511 38 1 6.8502181 21.517923 17.958308 # SOD
- 1935 512 30 -0.834 6.8502181 19.054718 20.421513 # OT
- 1936 512 1 0.417 7.6071684 19.6406 20.421513 # HT
- 1937 512 1 0.417 6.0932677 19.6406 20.421513 # HT
- 1938 513 30 -0.834 9.3134232 21.517923 20.421513 # OT
- 1939 513 1 0.417 10.070374 22.103806 20.421513 # HT
- 1940 513 1 0.417 8.5564729 22.103806 20.421513 # HT
- 1941 514 30 -0.834 9.3134232 19.054718 22.884718 # OT
- 1942 514 1 0.417 10.070374 19.6406 22.884718 # HT
- 1943 514 1 0.417 8.5564729 19.6406 22.884718 # HT
- 1944 515 30 -0.834 6.8502181 21.517923 22.884718 # OT
- 1945 515 1 0.417 7.6071684 22.103806 22.884718 # HT
- 1946 515 1 0.417 6.0932677 22.103806 22.884718 # HT
- 1947 516 30 -0.834 6.8502181 19.054718 25.347923 # OT
- 1948 516 1 0.417 7.6071684 19.6406 25.347923 # HT
- 1949 516 1 0.417 6.0932677 19.6406 25.347923 # HT
- 1950 517 30 -0.834 9.3134232 21.517923 25.347923 # OT
- 1951 517 1 0.417 10.070374 22.103806 25.347923 # HT
- 1952 517 1 0.417 8.5564729 22.103806 25.347923 # HT
- 1953 518 30 -0.834 9.3134232 19.054718 27.811128 # OT
- 1954 518 1 0.417 10.070374 19.6406 27.811128 # HT
- 1955 518 1 0.417 8.5564729 19.6406 27.811128 # HT
- 1956 519 30 -0.834 6.8502181 21.517923 27.811128 # OT
- 1957 519 1 0.417 7.6071684 22.103806 27.811128 # HT
- 1958 519 1 0.417 6.0932677 22.103806 27.811128 # HT
- 1959 520 30 -0.834 6.8502181 19.054718 30.274334 # OT
- 1960 520 1 0.417 7.6071684 19.6406 30.274334 # HT
- 1961 520 1 0.417 6.0932677 19.6406 30.274334 # HT
- 1962 521 30 -0.834 9.3134232 21.517923 30.274334 # OT
- 1963 521 1 0.417 10.070374 22.103806 30.274334 # HT
- 1964 521 1 0.417 8.5564729 22.103806 30.274334 # HT
- 1965 522 38 1 9.3134232 19.054718 32.737539 # SOD
- 1966 523 30 -0.834 6.8502181 21.517923 32.737539 # OT
- 1967 523 1 0.417 7.6071684 22.103806 32.737539 # HT
- 1968 523 1 0.417 6.0932677 22.103806 32.737539 # HT
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+ 1837 479 1 0.417 10.0703735579 14.7141900202 17.9583077436 # HT
+ 1838 479 1 0.417 8.5564729034 14.7141900202 17.9583077436 # HT
+ 1839 480 30 -0.834 6.85021806829 16.5915129059 17.9583077436 # OT
+ 1840 480 1 0.417 7.60716839555 17.1773951825 17.9583077436 # HT
+ 1841 480 1 0.417 6.09326774103 17.1773951825 17.9583077436 # HT
+ 1842 481 30 -0.834 6.85021806829 14.1283077436 20.4215129059 # OT
+ 1843 481 1 0.417 7.60716839555 14.7141900202 20.4215129059 # HT
+ 1844 481 1 0.417 6.09326774103 14.7141900202 20.4215129059 # HT
+ 1845 482 30 -0.834 9.31342323066 16.5915129059 20.4215129059 # OT
+ 1846 482 1 0.417 10.0703735579 17.1773951825 20.4215129059 # HT
+ 1847 482 1 0.417 8.5564729034 17.1773951825 20.4215129059 # HT
+ 1848 483 30 -0.834 9.31342323066 14.1283077436 22.8847180683 # OT
+ 1849 483 1 0.417 10.0703735579 14.7141900202 22.8847180683 # HT
+ 1850 483 1 0.417 8.5564729034 14.7141900202 22.8847180683 # HT
+ 1851 484 30 -0.834 6.85021806829 16.5915129059 22.8847180683 # OT
+ 1852 484 1 0.417 7.60716839555 17.1773951825 22.8847180683 # HT
+ 1853 484 1 0.417 6.09326774103 17.1773951825 22.8847180683 # HT
+ 1854 485 38 1 6.85021806829 14.1283077436 25.3479232307 # SOD
+ 1855 486 30 -0.834 9.31342323066 16.5915129059 25.3479232307 # OT
+ 1856 486 1 0.417 10.0703735579 17.1773951825 25.3479232307 # HT
+ 1857 486 1 0.417 8.5564729034 17.1773951825 25.3479232307 # HT
+ 1858 487 30 -0.834 9.31342323066 14.1283077436 27.811128393 # OT
+ 1859 487 1 0.417 10.0703735579 14.7141900202 27.811128393 # HT
+ 1860 487 1 0.417 8.5564729034 14.7141900202 27.811128393 # HT
+ 1861 488 30 -0.834 6.85021806829 16.5915129059 27.811128393 # OT
+ 1862 488 1 0.417 7.60716839555 17.1773951825 27.811128393 # HT
+ 1863 488 1 0.417 6.09326774103 17.1773951825 27.811128393 # HT
+ 1864 489 30 -0.834 6.85021806829 14.1283077436 30.2743335554 # OT
+ 1865 489 1 0.417 7.60716839555 14.7141900202 30.2743335554 # HT
+ 1866 489 1 0.417 6.09326774103 14.7141900202 30.2743335554 # HT
+ 1867 490 30 -0.834 9.31342323066 16.5915129059 30.2743335554 # OT
+ 1868 490 1 0.417 10.0703735579 17.1773951825 30.2743335554 # HT
+ 1869 490 1 0.417 8.5564729034 17.1773951825 30.2743335554 # HT
+ 1870 491 30 -0.834 9.31342323066 14.1283077436 32.7375387178 # OT
+ 1871 491 1 0.417 10.0703735579 14.7141900202 32.7375387178 # HT
+ 1872 491 1 0.417 8.5564729034 14.7141900202 32.7375387178 # HT
+ 1873 492 30 -0.834 6.85021806829 16.5915129059 32.7375387178 # OT
+ 1874 492 1 0.417 7.60716839555 17.1773951825 32.7375387178 # HT
+ 1875 492 1 0.417 6.09326774103 17.1773951825 32.7375387178 # HT
+ 1876 493 30 -0.834 6.85021806829 19.0547180683 -4.21053871777 # OT
+ 1877 493 1 0.417 7.60716839555 19.6406003449 -4.21053871777 # HT
+ 1878 493 1 0.417 6.09326774103 19.6406003449 -4.21053871777 # HT
+ 1879 494 30 -0.834 9.31342323066 21.5179232307 -4.21053871777 # OT
+ 1880 494 1 0.417 10.0703735579 22.1038055073 -4.21053871777 # HT
+ 1881 494 1 0.417 8.5564729034 22.1038055073 -4.21053871777 # HT
+ 1882 495 30 -0.834 9.31342323066 19.0547180683 -1.7473335554 # OT
+ 1883 495 1 0.417 10.0703735579 19.6406003449 -1.7473335554 # HT
+ 1884 495 1 0.417 8.5564729034 19.6406003449 -1.7473335554 # HT
+ 1885 496 30 -0.834 6.85021806829 21.5179232307 -1.7473335554 # OT
+ 1886 496 1 0.417 7.60716839555 22.1038055073 -1.7473335554 # HT
+ 1887 496 1 0.417 6.09326774103 22.1038055073 -1.7473335554 # HT
+ 1888 497 30 -0.834 6.85021806829 19.0547180683 0.715871606972 # OT
+ 1889 497 1 0.417 7.60716839555 19.6406003449 0.715871606972 # HT
+ 1890 497 1 0.417 6.09326774103 19.6406003449 0.715871606972 # HT
+ 1891 498 30 -0.834 9.31342323066 21.5179232307 0.715871606972 # OT
+ 1892 498 1 0.417 10.0703735579 22.1038055073 0.715871606972 # HT
+ 1893 498 1 0.417 8.5564729034 22.1038055073 0.715871606972 # HT
+ 1894 499 30 -0.834 9.31342323066 19.0547180683 3.17907676934 # OT
+ 1895 499 1 0.417 10.0703735579 19.6406003449 3.17907676934 # HT
+ 1896 499 1 0.417 8.5564729034 19.6406003449 3.17907676934 # HT
+ 1897 500 30 -0.834 6.85021806829 21.5179232307 3.17907676934 # OT
+ 1898 500 1 0.417 7.60716839555 22.1038055073 3.17907676934 # HT
+ 1899 500 1 0.417 6.09326774103 22.1038055073 3.17907676934 # HT
+ 1900 501 30 -0.834 9.31342323066 21.5179232307 5.64228193171 # OT
+ 1901 501 1 0.417 10.0703735579 22.1038055073 5.64228193171 # HT
+ 1902 501 1 0.417 8.5564729034 22.1038055073 5.64228193171 # HT
+ 1903 502 30 -0.834 9.31342323066 19.0547180683 8.10548709408 # OT
+ 1904 502 1 0.417 10.0703735579 19.6406003449 8.10548709408 # HT
+ 1905 502 1 0.417 8.5564729034 19.6406003449 8.10548709408 # HT
+ 1906 503 30 -0.834 6.85021806829 21.5179232307 8.10548709408 # OT
+ 1907 503 1 0.417 7.60716839555 22.1038055073 8.10548709408 # HT
+ 1908 503 1 0.417 6.09326774103 22.1038055073 8.10548709408 # HT
+ 1909 504 30 -0.834 6.85021806829 19.0547180683 10.5686922564 # OT
+ 1910 504 1 0.417 7.60716839555 19.6406003449 10.5686922564 # HT
+ 1911 504 1 0.417 6.09326774103 19.6406003449 10.5686922564 # HT
+ 1912 505 30 -0.834 9.31342323066 21.5179232307 10.5686922564 # OT
+ 1913 505 1 0.417 10.0703735579 22.1038055073 10.5686922564 # HT
+ 1914 505 1 0.417 8.5564729034 22.1038055073 10.5686922564 # HT
+ 1915 506 30 -0.834 9.31342323066 19.0547180683 13.0318974188 # OT
+ 1916 506 1 0.417 10.0703735579 19.6406003449 13.0318974188 # HT
+ 1917 506 1 0.417 8.5564729034 19.6406003449 13.0318974188 # HT
+ 1918 507 30 -0.834 6.85021806829 21.5179232307 13.0318974188 # OT
+ 1919 507 1 0.417 7.60716839555 22.1038055073 13.0318974188 # HT
+ 1920 507 1 0.417 6.09326774103 22.1038055073 13.0318974188 # HT
+ 1921 508 30 -0.834 6.85021806829 19.0547180683 15.4951025812 # OT
+ 1922 508 1 0.417 7.60716839555 19.6406003449 15.4951025812 # HT
+ 1923 508 1 0.417 6.09326774103 19.6406003449 15.4951025812 # HT
+ 1924 509 30 -0.834 9.31342323066 21.5179232307 15.4951025812 # OT
+ 1925 509 1 0.417 10.0703735579 22.1038055073 15.4951025812 # HT
+ 1926 509 1 0.417 8.5564729034 22.1038055073 15.4951025812 # HT
+ 1927 510 30 -0.834 9.31342323066 19.0547180683 17.9583077436 # OT
+ 1928 510 1 0.417 10.0703735579 19.6406003449 17.9583077436 # HT
+ 1929 510 1 0.417 8.5564729034 19.6406003449 17.9583077436 # HT
+ 1930 511 30 -0.834 6.85021806829 21.5179232307 17.9583077436 # OT
+ 1931 511 1 0.417 7.60716839555 22.1038055073 17.9583077436 # HT
+ 1932 511 1 0.417 6.09326774103 22.1038055073 17.9583077436 # HT
+ 1933 512 30 -0.834 6.85021806829 19.0547180683 20.4215129059 # OT
+ 1934 512 1 0.417 7.60716839555 19.6406003449 20.4215129059 # HT
+ 1935 512 1 0.417 6.09326774103 19.6406003449 20.4215129059 # HT
+ 1936 513 30 -0.834 9.31342323066 21.5179232307 20.4215129059 # OT
+ 1937 513 1 0.417 10.0703735579 22.1038055073 20.4215129059 # HT
+ 1938 513 1 0.417 8.5564729034 22.1038055073 20.4215129059 # HT
+ 1939 514 30 -0.834 9.31342323066 19.0547180683 22.8847180683 # OT
+ 1940 514 1 0.417 10.0703735579 19.6406003449 22.8847180683 # HT
+ 1941 514 1 0.417 8.5564729034 19.6406003449 22.8847180683 # HT
+ 1942 515 30 -0.834 6.85021806829 21.5179232307 22.8847180683 # OT
+ 1943 515 1 0.417 7.60716839555 22.1038055073 22.8847180683 # HT
+ 1944 515 1 0.417 6.09326774103 22.1038055073 22.8847180683 # HT
+ 1945 516 30 -0.834 6.85021806829 19.0547180683 25.3479232307 # OT
+ 1946 516 1 0.417 7.60716839555 19.6406003449 25.3479232307 # HT
+ 1947 516 1 0.417 6.09326774103 19.6406003449 25.3479232307 # HT
+ 1948 517 30 -0.834 9.31342323066 21.5179232307 25.3479232307 # OT
+ 1949 517 1 0.417 10.0703735579 22.1038055073 25.3479232307 # HT
+ 1950 517 1 0.417 8.5564729034 22.1038055073 25.3479232307 # HT
+ 1951 518 30 -0.834 9.31342323066 19.0547180683 27.811128393 # OT
+ 1952 518 1 0.417 10.0703735579 19.6406003449 27.811128393 # HT
+ 1953 518 1 0.417 8.5564729034 19.6406003449 27.811128393 # HT
+ 1954 519 30 -0.834 6.85021806829 21.5179232307 27.811128393 # OT
+ 1955 519 1 0.417 7.60716839555 22.1038055073 27.811128393 # HT
+ 1956 519 1 0.417 6.09326774103 22.1038055073 27.811128393 # HT
+ 1957 520 30 -0.834 6.85021806829 19.0547180683 30.2743335554 # OT
+ 1958 520 1 0.417 7.60716839555 19.6406003449 30.2743335554 # HT
+ 1959 520 1 0.417 6.09326774103 19.6406003449 30.2743335554 # HT
+ 1960 521 30 -0.834 9.31342323066 21.5179232307 30.2743335554 # OT
+ 1961 521 1 0.417 10.0703735579 22.1038055073 30.2743335554 # HT
+ 1962 521 1 0.417 8.5564729034 22.1038055073 30.2743335554 # HT
+ 1963 522 30 -0.834 9.31342323066 19.0547180683 32.7375387178 # OT
+ 1964 522 1 0.417 10.0703735579 19.6406003449 32.7375387178 # HT
+ 1965 522 1 0.417 8.5564729034 19.6406003449 32.7375387178 # HT
+ 1966 523 30 -0.834 6.85021806829 21.5179232307 32.7375387178 # OT
+ 1967 523 1 0.417 7.60716839555 22.1038055073 32.7375387178 # HT
+ 1968 523 1 0.417 6.09326774103 22.1038055073 32.7375387178 # HT
-Bond Coeffs
+Bond Coeffs # harmonic
- 1 302 1.403 # CN1 CN3T
- 2 302 1.36 # CN1 CN5G
- 3 380 1.367 # CN1 NN2
- 4 340 1.396 # CN1 NN2G
- 5 340 1.389 # CN1 NN2U
- 6 350 1.335 # CN1 NN3
- 7 660 1.234 # CN1 ON1
- 8 620 1.245 # CN1 ON1C
- 9 302 1.348 # CN1T NN2B
- 10 340 1.383 # CN1T NN2U
- 11 860 1.23 # CN1T ON1
- 12 320 1.406 # CN2 CN3
- 13 360 1.358 # CN2 CN5
- 14 360 1.366 # CN2 NN1
- 15 400 1.392 # CN2 NN2G
- 16 450 1.343 # CN2 NN3
- 17 400 1.342 # CN2 NN3A
- 18 320 1.326 # CN2 NN3G
- 19 500 1.326 # CN3 CN3
- 20 560 1.32 # CN3 CN3T
- 21 350 1.09 # CN3 HN3
- 22 302 1.343 # CN3 NN2
- 23 320 1.343 # CN3 NN2B
- 24 230 1.478 # CN3T CN9
- 25 380 1.09 # CN4 HN3
- 26 320 1.374 # CN4 NN2
- 27 300 1.378 # CN4 NN2B
- 28 420 1.322 # CN4 NN3A
- 29 400 1.305 # CN4 NN4
- 30 310 1.361 # CN5 CN5
- 31 320 1.35 # CN5 CN5G
- 32 300 1.375 # CN5 NN2
- 33 302 1.375 # CN5 NN2B
- 34 350 1.312 # CN5 NN3A
- 35 350 1.315 # CN5 NN3G
- 36 310 1.355 # CN5 NN4
- 37 310 1.365 # CN5G NN4
- 38 222.5 1.529 # CN7 CN7
- 39 222.5 1.46 # CN7 CN7B
- 40 222.5 1.512 # CN7 CN8B
- 41 309 1.111 # CN7 HN7
- 42 310 1.433 # CN7 ON2
- 43 240 1.48 # CN7 ON6B
- 44 200 1.45 # CN7B CN7B
- 45 309 1.111 # CN7B HN7
- 46 220 1.456 # CN7B NN2
- 47 220 1.458 # CN7B NN2B
- 48 428 1.4 # CN7B ON5
- 49 260 1.42 # CN7B ON6B
- 50 309 1.111 # CN8B HN8
- 51 320 1.44 # CN8B ON2
- 52 322 1.111 # CN9 HN9
- 53 488 1 # HN1 NN1
- 54 471 1.01 # HN2 NN2G
- 55 474 1.01 # HN2 NN2U
- 56 545 0.96 # HN5 ON5
- 57 450 0.9572 # HT OT
- 58 270 1.6 # ON2 P
- 59 580 1.48 # ON3 P
+ 1 302 1.403 # CN1 CN3T
+ 2 302 1.36 # CN1 CN5G
+ 3 380 1.367 # CN1 NN2
+ 4 340 1.396 # CN1 NN2G
+ 5 340 1.389 # CN1 NN2U
+ 6 350 1.335 # CN1 NN3
+ 7 660 1.234 # CN1 ON1
+ 8 620 1.245 # CN1 ON1C
+ 9 302 1.348 # CN1T NN2B
+ 10 340 1.383 # CN1T NN2U
+ 11 860 1.23 # CN1T ON1
+ 12 320 1.406 # CN2 CN3
+ 13 360 1.358 # CN2 CN5
+ 14 360 1.366 # CN2 NN1
+ 15 400 1.392 # CN2 NN2G
+ 16 450 1.343 # CN2 NN3
+ 17 400 1.342 # CN2 NN3A
+ 18 320 1.326 # CN2 NN3G
+ 19 500 1.326 # CN3 CN3
+ 20 560 1.32 # CN3 CN3T
+ 21 350 1.09 # CN3 HN3
+ 22 302 1.343 # CN3 NN2
+ 23 320 1.343 # CN3 NN2B
+ 24 230 1.478 # CN3T CN9
+ 25 380 1.09 # CN4 HN3
+ 26 320 1.374 # CN4 NN2
+ 27 300 1.378 # CN4 NN2B
+ 28 420 1.322 # CN4 NN3A
+ 29 400 1.305 # CN4 NN4
+ 30 310 1.361 # CN5 CN5
+ 31 320 1.35 # CN5 CN5G
+ 32 300 1.375 # CN5 NN2
+ 33 302 1.375 # CN5 NN2B
+ 34 350 1.312 # CN5 NN3A
+ 35 350 1.315 # CN5 NN3G
+ 36 310 1.355 # CN5 NN4
+ 37 310 1.365 # CN5G NN4
+ 38 222.5 1.529 # CN7 CN7
+ 39 222.5 1.46 # CN7 CN7B
+ 40 222.5 1.512 # CN7 CN8B
+ 41 309 1.111 # CN7 HN7
+ 42 310 1.433 # CN7 ON2
+ 43 240 1.48 # CN7 ON6B
+ 44 200 1.45 # CN7B CN7B
+ 45 309 1.111 # CN7B HN7
+ 46 220 1.456 # CN7B NN2
+ 47 220 1.458 # CN7B NN2B
+ 48 428 1.4 # CN7B ON5
+ 49 260 1.42 # CN7B ON6B
+ 50 309 1.111 # CN8B HN8
+ 51 320 1.44 # CN8B ON2
+ 52 322 1.111 # CN9 HN9
+ 53 488 1 # HN1 NN1
+ 54 471 1.01 # HN2 NN2G
+ 55 474 1.01 # HN2 NN2U
+ 56 545 0.96 # HN5 ON5
+ 57 450 0.9572 # HT OT
+ 58 270 1.6 # ON2 P
+ 59 580 1.48 # ON3 P
Bonds
@@ -2705,142 +2705,142 @@ Bonds
568 57 528 530 # HT OT
569 57 531 532 # HT OT
570 57 531 533 # HT OT
- 571 57 535 536 # HT OT
- 572 57 535 537 # HT OT
- 573 57 538 539 # HT OT
- 574 57 538 540 # HT OT
- 575 57 542 543 # HT OT
- 576 57 542 544 # HT OT
- 577 57 545 546 # HT OT
- 578 57 545 547 # HT OT
- 579 57 548 549 # HT OT
- 580 57 548 550 # HT OT
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- 582 57 551 553 # HT OT
- 583 57 554 555 # HT OT
- 584 57 554 556 # HT OT
- 585 57 557 558 # HT OT
- 586 57 557 559 # HT OT
- 587 57 560 561 # HT OT
- 588 57 560 562 # HT OT
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- 592 57 566 568 # HT OT
- 593 57 569 570 # HT OT
- 594 57 569 571 # HT OT
- 595 57 572 573 # HT OT
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- 597 57 575 576 # HT OT
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- 602 57 581 583 # HT OT
- 603 57 584 585 # HT OT
- 604 57 584 586 # HT OT
- 605 57 587 588 # HT OT
- 606 57 587 589 # HT OT
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- 608 57 590 592 # HT OT
- 609 57 593 594 # HT OT
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- 616 57 602 604 # HT OT
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- 652 57 656 658 # HT OT
- 653 57 659 660 # HT OT
- 654 57 659 661 # HT OT
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- 657 57 665 666 # HT OT
- 658 57 665 667 # HT OT
- 659 57 668 669 # HT OT
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- 670 57 683 685 # HT OT
- 671 57 686 687 # HT OT
- 672 57 686 688 # HT OT
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- 674 57 689 691 # HT OT
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- 678 57 695 697 # HT OT
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- 683 57 704 705 # HT OT
- 684 57 704 706 # HT OT
- 685 57 707 708 # HT OT
- 686 57 707 709 # HT OT
- 687 57 710 711 # HT OT
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+ 571 57 534 535 # HT OT
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+ 598 57 574 576 # HT OT
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+ 641 57 640 641 # HT OT
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707 57 740 741 # HT OT
708 57 740 742 # HT OT
709 57 743 744 # HT OT
@@ -2871,32 +2871,32 @@ Bonds
734 57 779 781 # HT OT
735 57 782 783 # HT OT
736 57 782 784 # HT OT
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763 57 825 826 # HT OT
764 57 825 827 # HT OT
765 57 828 829 # HT OT
@@ -2919,857 +2919,857 @@ Bonds
782 57 852 854 # HT OT
783 57 855 856 # HT OT
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-Angle Coeffs
+Angle Coeffs # charmm
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Angles
@@ -4791,74 +4791,74 @@ Angles
1016 84 527 525 526 # HN7 CN7 ON2
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@@ -4874,19 +4874,19 @@ Angles
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@@ -4898,591 +4898,591 @@ Angles
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1491 93 1967 1966 1968 # HT OT HT
-Dihedral Coeffs
+Dihedral Coeffs # charmm
- 1 1 2 180 1 # CN1 CN3T CN3 HN3
- 2 3 2 180 0.5 # CN1 CN3T CN3 NN2B
- 3 0.46 3 0 1 # CN1 CN3T CN9 HN9
- 4 0 2 180 1 # CN1 CN5G CN5 NN2B
- 5 2 2 180 0.5 # CN1 CN5G CN5 NN3G
- 6 2 2 180 1 # CN1 CN5G NN4 CN4
- 7 0.6 2 180 0.5 # CN1 NN2 CN3 CN3
- 8 4.6 2 180 1 # CN1 NN2 CN3 HN3
- 9 1 3 0 1 # CN1 NN2 CN7B CN7B
- 10 0 3 0 1 # CN1 NN2 CN7B HN7
- 11 0 3 0 1 # CN1 NN2 CN7B ON6B
- 12 4 2 180 1 # CN1 NN2G CN2 NN1
- 13 0.2 2 180 0.5 # CN1 NN2G CN2 NN3G
- 14 1.5 2 180 0.5 # CN1 NN2U CN1T NN2B
- 15 0.9 2 180 1 # CN1 NN2U CN1T ON1
- 16 6 2 180 0.5 # CN1 NN3 CN2 CN3
- 17 2 2 180 1 # CN1 NN3 CN2 NN1
- 18 1.8 2 180 0.5 # CN1T NN2B CN3 CN3T
- 19 1 2 180 1 # CN1T NN2B CN3 HN3
- 20 0.2 3 180 1 # CN1T NN2B CN7B CN7B
- 21 0 3 0 1 # CN1T NN2B CN7B HN7
- 22 0.7 3 0 1 # CN1T NN2B CN7B ON6B
- 23 0.8 1 180 0 # CN1T NN2B CN7B ON6B
- 24 0.9 2 180 0.5 # CN1T NN2U CN1 CN3T
- 25 0.9 2 180 1 # CN1T NN2U CN1 ON1
- 26 4.6 2 180 1 # CN2 CN3 CN3 HN3
- 27 6 2 180 0.5 # CN2 CN3 CN3 NN2
- 28 7 2 180 1 # CN2 CN5 CN5 NN2
- 29 2 2 180 0.5 # CN2 CN5 CN5 NN3A
- 30 2 2 180 1 # CN2 CN5 NN4 CN4
- 31 0.2 2 180 0.5 # CN2 NN2G CN1 CN5G
- 32 14 2 180 1 # CN2 NN2G CN1 ON1
- 33 0.6 2 180 0.5 # CN2 NN3 CN1 NN2
- 34 1.6 2 180 1 # CN2 NN3 CN1 ON1C
- 35 8.5 2 180 1 # CN2 NN3A CN4 HN3
- 36 1.8 2 180 0.5 # CN2 NN3A CN4 NN3A
- 37 0.2 2 180 0.5 # CN2 NN3G CN5 CN5G
- 38 2 2 180 1 # CN2 NN3G CN5 NN2B
- 39 1 2 180 1 # CN3 CN2 NN1 HN1
- 40 2 2 180 1 # CN3 CN3 CN2 NN1
- 41 0.6 2 180 0.5 # CN3 CN3 CN2 NN3
- 42 11 2 180 1 # CN3 CN3 NN2 CN7B
- 43 1.8 2 180 0.5 # CN3 CN3T CN1 NN2U
- 44 1 2 180 1 # CN3 CN3T CN1 ON1
- 45 0.46 3 0 1 # CN3 CN3T CN9 HN9
- 46 0.6 2 180 0.5 # CN3 NN2 CN1 NN3
- 47 1.6 2 180 1 # CN3 NN2 CN1 ON1C
- 48 0 3 180 1 # CN3 NN2 CN7B CN7B
- 49 0.195 3 0 1 # CN3 NN2 CN7B HN7
- 50 1 1 0 1 # CN3 NN2 CN7B ON6B
- 51 1.5 2 180 0.5 # CN3 NN2B CN1T NN2U
- 52 0.9 2 180 1 # CN3 NN2B CN1T ON1
- 53 0 3 180 1 # CN3 NN2B CN7B CN7B
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- 55 0.9 1 0 1 # CN3 NN2B CN7B ON6B
- 56 4.8 2 180 1 # CN3T CN1 NN2U HN2
- 57 11 2 180 1 # CN3T CN3 NN2B CN7B
- 58 6 2 180 0 # CN4 NN2 CN5 CN5
- 59 2 2 180 1 # CN4 NN2 CN5 NN3A
- 60 0 3 180 1 # CN4 NN2 CN7B CN7B
- 61 0.195 3 0 1 # CN4 NN2 CN7B HN7
- 62 1.1 1 0 1 # CN4 NN2 CN7B ON6B
- 63 6 2 180 0 # CN4 NN2B CN5 CN5G
- 64 2 2 180 1 # CN4 NN2B CN5 NN3G
- 65 0 3 180 1 # CN4 NN2B CN7B CN7B
- 66 0.195 3 0 1 # CN4 NN2B CN7B HN7
- 67 1.4 1 0 1 # CN4 NN2B CN7B ON6B
- 68 10 2 180 0.5 # CN4 NN3A CN2 CN5
- 69 4 2 180 1 # CN4 NN3A CN2 NN1
- 70 1.8 2 180 0.5 # CN4 NN3A CN5 CN5
- 71 2 2 180 1 # CN4 NN3A CN5 NN2
- 72 6 2 180 0 # CN4 NN4 CN5 CN5
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- 74 0.5 2 180 1 # CN5 CN2 NN1 HN1
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- 76 1.8 2 180 0.5 # CN5 CN5 CN2 NN3A
- 77 11 2 180 1 # CN5 CN5 NN2 CN7B
- 78 0.2 2 180 0.5 # CN5 CN5G CN1 NN2G
- 79 14 2 180 1 # CN5 CN5G CN1 ON1
- 80 5.2 2 180 1 # CN5 NN2 CN4 HN3
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- 82 0.3 3 0 1 # CN5 NN2 CN7B CN7B
- 83 0 3 0 1 # CN5 NN2 CN7B HN7
- 84 1.1 1 180 1 # CN5 NN2 CN7B ON6B
- 85 5.6 2 180 1 # CN5 NN2B CN4 HN3
- 86 6 2 180 0 # CN5 NN2B CN4 NN4
- 87 0 3 0 1 # CN5 NN2B CN7B CN7B
- 88 0 3 0 1 # CN5 NN2B CN7B HN7
- 89 0.2 3 0 1 # CN5 NN2B CN7B ON6B
- 90 1.1 1 180 0 # CN5 NN2B CN7B ON6B
- 91 8.5 2 180 1 # CN5 NN3A CN4 HN3
- 92 2 2 180 0.5 # CN5 NN3A CN4 NN3A
- 93 4 2 180 1 # CN5 NN3G CN2 NN1
- 94 2 2 180 0.5 # CN5 NN3G CN2 NN2G
- 95 5.2 2 180 1 # CN5 NN4 CN4 HN3
- 96 14 2 180 0 # CN5 NN4 CN4 NN2
- 97 3.6 2 180 1 # CN5G CN1 NN2G HN2
- 98 11 2 180 1 # CN5G CN5 NN2B CN7B
- 99 5.6 2 180 1 # CN5G NN4 CN4 HN3
- 100 16 2 180 0 # CN5G NN4 CN4 NN2B
- 101 0 6 0 0 # CN7 CN7 CN7B CN7B
- 102 0.195 3 0 1 # CN7 CN7 CN7B HN7
- 103 0 3 0 1 # CN7 CN7 CN7B ON5
- 104 0.195 3 0 1 # CN7 CN7 CN8B HN8
- 105 0.2 4 180 1 # CN7 CN7 CN8B ON2
- 106 0.8 3 180 0 # CN7 CN7 CN8B ON2
- 107 0.4 2 0 0 # CN7 CN7 CN8B ON2
- 108 2.5 1 180 0 # CN7 CN7 CN8B ON2
- 109 0.6 5 0 1 # CN7 CN7 ON2 P
- 110 0.2 4 0 0 # CN7 CN7 ON2 P
- 111 0 3 180 0 # CN7 CN7 ON2 P
- 112 0.4 2 0 0 # CN7 CN7 ON2 P
- 113 1.9 1 180 0 # CN7 CN7 ON2 P
- 114 0 6 180 0 # CN7 CN7 ON6B CN7B
- 115 0.195 3 0 1 # CN7 CN7B CN7B HN7
- 116 0 3 0 1 # CN7 CN7B CN7B NN2
- 117 0 3 0 1 # CN7 CN7B CN7B NN2B
- 118 0.4 6 0 0 # CN7 CN7B CN7B ON6B
- 119 0.3 3 0 1 # CN7 CN7B ON5 HN5
- 120 0 1 0 0 # CN7 CN7B ON5 HN5
- 121 0.2 1 120 1 # CN7 CN8B ON2 P
- 122 1.2 1 180 1 # CN7 ON2 P ON2
- 123 0.1 2 180 0 # CN7 ON2 P ON2
- 124 0.1 3 180 0 # CN7 ON2 P ON2
- 125 0 6 0 0 # CN7 ON2 P ON2
- 126 0.1 3 0 1 # CN7 ON2 P ON3
- 127 0 6 0 0 # CN7 ON6B CN7B CN7B
- 128 0 3 0 1 # CN7 ON6B CN7B HN7
- 129 0 3 0 1 # CN7 ON6B CN7B NN2
- 130 0 3 0 1 # CN7 ON6B CN7B NN2B
- 131 0.2 4 180 1 # CN7B CN7 CN7 CN8B
- 132 0.195 3 0 1 # CN7B CN7 CN7 HN7
- 133 0 3 0 0 # CN7B CN7 CN7 ON6B
- 134 2.5 1 180 1 # CN7B CN7 ON2 P
- 135 0.195 3 0 1 # CN7B CN7B CN7 HN7
- 136 0.6 6 0 1 # CN7B CN7B CN7 ON2
- 137 0 5 0 0 # CN7B CN7B CN7 ON2
- 138 1.6 3 180 0 # CN7B CN7B CN7 ON2
- 139 0 6 180 1 # CN7B CN7B ON5 HN5
- 140 0.8 3 0 0 # CN7B CN7B ON5 HN5
- 141 0 2 180 0 # CN7B CN7B ON5 HN5
- 142 0 1 180 0 # CN7B CN7B ON5 HN5
- 143 11 2 180 1 # CN7B NN2 CN1 NN3
- 144 11 2 180 1 # CN7B NN2 CN1 ON1C
- 145 0.3 2 180 1 # CN7B NN2 CN3 HN3
- 146 0.3 2 180 1 # CN7B NN2 CN4 HN3
- 147 11 2 180 1 # CN7B NN2 CN4 NN4
- 148 1.5 2 180 1 # CN7B NN2 CN5 NN3A
- 149 11 2 180 1 # CN7B NN2B CN1T NN2U
- 150 11 2 180 1 # CN7B NN2B CN1T ON1
- 151 0.3 2 180 1 # CN7B NN2B CN3 HN3
- 152 0.3 2 180 1 # CN7B NN2B CN4 HN3
- 153 11 2 180 1 # CN7B NN2B CN4 NN4
- 154 11 2 180 1 # CN7B NN2B CN5 NN3G
- 155 2 3 0 1 # CN7B ON6B CN7 CN8B
- 156 0.195 3 0 1 # CN7B ON6B CN7 HN7
- 157 0.195 3 0 1 # CN8B CN7 CN7 HN7
- 158 0.2 4 0 1 # CN8B CN7 CN7 ON2
- 159 0.8 3 180 0 # CN8B CN7 CN7 ON2
- 160 1.2 1 180 1 # CN8B ON2 P ON2
- 161 0.1 2 180 0 # CN8B ON2 P ON2
- 162 0.1 3 180 0 # CN8B ON2 P ON2
- 163 0 6 0 0 # CN8B ON2 P ON2
- 164 0.1 3 0 1 # CN8B ON2 P ON3
- 165 1 2 180 1 # CN9 CN3T CN1 NN2U
- 166 1 2 180 1 # CN9 CN3T CN1 ON1
- 167 1 2 180 1 # CN9 CN3T CN3 HN3
- 168 5.6 2 180 1 # CN9 CN3T CN3 NN2B
- 169 1.2 2 180 1 # HN1 NN1 CN2 NN2G
- 170 1 2 180 1 # HN1 NN1 CN2 NN3
- 171 0.5 2 180 1 # HN1 NN1 CN2 NN3A
- 172 1.2 2 180 1 # HN1 NN1 CN2 NN3G
- 173 0 2 180 1 # HN2 NN2G CN1 ON1
- 174 0 2 180 1 # HN2 NN2G CN2 NN1
- 175 3.6 2 180 1 # HN2 NN2G CN2 NN3G
- 176 0 2 180 1 # HN2 NN2U CN1 ON1
- 177 3.8 2 180 1 # HN2 NN2U CN1T NN2B
- 178 0 2 180 1 # HN2 NN2U CN1T ON1
- 179 2 2 180 1 # HN3 CN3 CN2 NN1
- 180 3.4 2 180 1 # HN3 CN3 CN2 NN3
- 181 3 2 180 1 # HN3 CN3 CN3 HN3
- 182 3.4 2 180 1 # HN3 CN3 CN3 NN2
- 183 0 3 0 1 # HN5 ON5 CN7B HN7
- 184 0.195 3 0 1 # HN7 CN7 CN7 HN7
- 185 0.195 3 0 1 # HN7 CN7 CN7 ON2
- 186 0.195 3 180 1 # HN7 CN7 CN7 ON6B
- 187 0.195 3 0 1 # HN7 CN7 CN7B HN7
- 188 0.195 3 0 1 # HN7 CN7 CN7B ON5
- 189 0.195 3 0 1 # HN7 CN7 CN8B HN8
- 190 0.195 3 0 1 # HN7 CN7 CN8B ON2
- 191 0 3 0 1 # HN7 CN7 ON2 P
- 192 0.195 3 0 1 # HN7 CN7B CN7 ON2
- 193 0 3 0 1 # HN7 CN7B CN7B HN7
- 194 0 3 0 1 # HN7 CN7B CN7B NN2
- 195 0 3 0 1 # HN7 CN7B CN7B NN2B
- 196 0 3 0 1 # HN7 CN7B CN7B ON5
- 197 0.195 3 0 1 # HN7 CN7B CN7B ON6B
- 198 0.195 1 0 1 # HN8 CN8B CN7 ON6B
- 199 0 3 0 1 # HN8 CN8B ON2 P
- 200 0 2 180 1 # NN1 CN2 CN5 NN4
- 201 14 2 180 0 # NN2 CN5 CN5 NN4
- 202 0 3 0 1 # NN2 CN7B CN7B ON5
- 203 10 2 180 0 # NN2B CN5 CN5G NN4
- 204 0 3 0 1 # NN2B CN7B CN7B ON5
- 205 2 2 180 1 # NN2G CN1 CN5G NN4
- 206 2 2 180 1 # NN3A CN2 CN5 NN4
- 207 7 2 180 1 # NN3A CN5 CN5 NN4
- 208 10 2 180 1 # NN3G CN5 CN5G NN4
- 209 0 2 180 1 # NN4 CN5G CN1 ON1
- 210 0.4 6 0 1 # ON2 CN7 CN7 ON6B
- 211 0 5 0 0 # ON2 CN7 CN7 ON6B
- 212 0 4 180 0 # ON2 CN7 CN7 ON6B
- 213 1.6 3 0 0 # ON2 CN7 CN7 ON6B
- 214 0 3 0 1 # ON2 CN7 CN7B ON5
- 215 3.4 1 180 1 # ON2 CN8B CN7 ON6B
- 216 0 3 0 1 # ON5 CN7B CN7B ON6B
+ 1 1 2 180 1 # CN1 CN3T CN3 HN3
+ 2 3 2 180 0.5 # CN1 CN3T CN3 NN2B
+ 3 0.46 3 0 1 # CN1 CN3T CN9 HN9
+ 4 0 2 180 1 # CN1 CN5G CN5 NN2B
+ 5 2 2 180 0.5 # CN1 CN5G CN5 NN3G
+ 6 2 2 180 1 # CN1 CN5G NN4 CN4
+ 7 0.6 2 180 0.5 # CN1 NN2 CN3 CN3
+ 8 4.6 2 180 1 # CN1 NN2 CN3 HN3
+ 9 1 3 0 1 # CN1 NN2 CN7B CN7B
+ 10 0 3 0 1 # CN1 NN2 CN7B HN7
+ 11 0 3 0 1 # CN1 NN2 CN7B ON6B
+ 12 4 2 180 1 # CN1 NN2G CN2 NN1
+ 13 0.2 2 180 0.5 # CN1 NN2G CN2 NN3G
+ 14 1.5 2 180 0.5 # CN1 NN2U CN1T NN2B
+ 15 0.9 2 180 1 # CN1 NN2U CN1T ON1
+ 16 6 2 180 0.5 # CN1 NN3 CN2 CN3
+ 17 2 2 180 1 # CN1 NN3 CN2 NN1
+ 18 1.8 2 180 0.5 # CN1T NN2B CN3 CN3T
+ 19 1 2 180 1 # CN1T NN2B CN3 HN3
+ 20 0.2 3 180 1 # CN1T NN2B CN7B CN7B
+ 21 0 3 0 1 # CN1T NN2B CN7B HN7
+ 22 0.7 3 0 1 # CN1T NN2B CN7B ON6B
+ 23 0.8 1 180 0 # CN1T NN2B CN7B ON6B
+ 24 0.9 2 180 0.5 # CN1T NN2U CN1 CN3T
+ 25 0.9 2 180 1 # CN1T NN2U CN1 ON1
+ 26 4.6 2 180 1 # CN2 CN3 CN3 HN3
+ 27 6 2 180 0.5 # CN2 CN3 CN3 NN2
+ 28 7 2 180 1 # CN2 CN5 CN5 NN2
+ 29 2 2 180 0.5 # CN2 CN5 CN5 NN3A
+ 30 2 2 180 1 # CN2 CN5 NN4 CN4
+ 31 0.2 2 180 0.5 # CN2 NN2G CN1 CN5G
+ 32 14 2 180 1 # CN2 NN2G CN1 ON1
+ 33 0.6 2 180 0.5 # CN2 NN3 CN1 NN2
+ 34 1.6 2 180 1 # CN2 NN3 CN1 ON1C
+ 35 8.5 2 180 1 # CN2 NN3A CN4 HN3
+ 36 1.8 2 180 0.5 # CN2 NN3A CN4 NN3A
+ 37 0.2 2 180 0.5 # CN2 NN3G CN5 CN5G
+ 38 2 2 180 1 # CN2 NN3G CN5 NN2B
+ 39 1 2 180 1 # CN3 CN2 NN1 HN1
+ 40 2 2 180 1 # CN3 CN3 CN2 NN1
+ 41 0.6 2 180 0.5 # CN3 CN3 CN2 NN3
+ 42 11 2 180 1 # CN3 CN3 NN2 CN7B
+ 43 1.8 2 180 0.5 # CN3 CN3T CN1 NN2U
+ 44 1 2 180 1 # CN3 CN3T CN1 ON1
+ 45 0.46 3 0 1 # CN3 CN3T CN9 HN9
+ 46 0.6 2 180 0.5 # CN3 NN2 CN1 NN3
+ 47 1.6 2 180 1 # CN3 NN2 CN1 ON1C
+ 48 0 3 180 1 # CN3 NN2 CN7B CN7B
+ 49 0.195 3 0 1 # CN3 NN2 CN7B HN7
+ 50 1 1 0 1 # CN3 NN2 CN7B ON6B
+ 51 1.5 2 180 0.5 # CN3 NN2B CN1T NN2U
+ 52 0.9 2 180 1 # CN3 NN2B CN1T ON1
+ 53 0 3 180 1 # CN3 NN2B CN7B CN7B
+ 54 0.195 3 0 1 # CN3 NN2B CN7B HN7
+ 55 0.9 1 0 1 # CN3 NN2B CN7B ON6B
+ 56 4.8 2 180 1 # CN3T CN1 NN2U HN2
+ 57 11 2 180 1 # CN3T CN3 NN2B CN7B
+ 58 6 2 180 0 # CN4 NN2 CN5 CN5
+ 59 2 2 180 1 # CN4 NN2 CN5 NN3A
+ 60 0 3 180 1 # CN4 NN2 CN7B CN7B
+ 61 0.195 3 0 1 # CN4 NN2 CN7B HN7
+ 62 1.1 1 0 1 # CN4 NN2 CN7B ON6B
+ 63 6 2 180 0 # CN4 NN2B CN5 CN5G
+ 64 2 2 180 1 # CN4 NN2B CN5 NN3G
+ 65 0 3 180 1 # CN4 NN2B CN7B CN7B
+ 66 0.195 3 0 1 # CN4 NN2B CN7B HN7
+ 67 1.4 1 0 1 # CN4 NN2B CN7B ON6B
+ 68 10 2 180 0.5 # CN4 NN3A CN2 CN5
+ 69 4 2 180 1 # CN4 NN3A CN2 NN1
+ 70 1.8 2 180 0.5 # CN4 NN3A CN5 CN5
+ 71 2 2 180 1 # CN4 NN3A CN5 NN2
+ 72 6 2 180 0 # CN4 NN4 CN5 CN5
+ 73 6 2 180 0 # CN4 NN4 CN5G CN5
+ 74 0.5 2 180 1 # CN5 CN2 NN1 HN1
+ 75 4 2 180 1 # CN5 CN5 CN2 NN1
+ 76 1.8 2 180 0.5 # CN5 CN5 CN2 NN3A
+ 77 11 2 180 1 # CN5 CN5 NN2 CN7B
+ 78 0.2 2 180 0.5 # CN5 CN5G CN1 NN2G
+ 79 14 2 180 1 # CN5 CN5G CN1 ON1
+ 80 5.2 2 180 1 # CN5 NN2 CN4 HN3
+ 81 6 2 180 0 # CN5 NN2 CN4 NN4
+ 82 0.3 3 0 1 # CN5 NN2 CN7B CN7B
+ 83 0 3 0 1 # CN5 NN2 CN7B HN7
+ 84 1.1 1 180 1 # CN5 NN2 CN7B ON6B
+ 85 5.6 2 180 1 # CN5 NN2B CN4 HN3
+ 86 6 2 180 0 # CN5 NN2B CN4 NN4
+ 87 0 3 0 1 # CN5 NN2B CN7B CN7B
+ 88 0 3 0 1 # CN5 NN2B CN7B HN7
+ 89 0.2 3 0 1 # CN5 NN2B CN7B ON6B
+ 90 1.1 1 180 0 # CN5 NN2B CN7B ON6B
+ 91 8.5 2 180 1 # CN5 NN3A CN4 HN3
+ 92 2 2 180 0.5 # CN5 NN3A CN4 NN3A
+ 93 4 2 180 1 # CN5 NN3G CN2 NN1
+ 94 2 2 180 0.5 # CN5 NN3G CN2 NN2G
+ 95 5.2 2 180 1 # CN5 NN4 CN4 HN3
+ 96 14 2 180 0 # CN5 NN4 CN4 NN2
+ 97 3.6 2 180 1 # CN5G CN1 NN2G HN2
+ 98 11 2 180 1 # CN5G CN5 NN2B CN7B
+ 99 5.6 2 180 1 # CN5G NN4 CN4 HN3
+ 100 16 2 180 0 # CN5G NN4 CN4 NN2B
+ 101 0 6 0 0 # CN7 CN7 CN7B CN7B
+ 102 0.195 3 0 1 # CN7 CN7 CN7B HN7
+ 103 0 3 0 1 # CN7 CN7 CN7B ON5
+ 104 0.195 3 0 1 # CN7 CN7 CN8B HN8
+ 105 0.2 4 180 1 # CN7 CN7 CN8B ON2
+ 106 0.8 3 180 0 # CN7 CN7 CN8B ON2
+ 107 0.4 2 0 0 # CN7 CN7 CN8B ON2
+ 108 2.5 1 180 0 # CN7 CN7 CN8B ON2
+ 109 0.6 5 0 1 # CN7 CN7 ON2 P
+ 110 0.2 4 0 0 # CN7 CN7 ON2 P
+ 111 0 3 180 0 # CN7 CN7 ON2 P
+ 112 0.4 2 0 0 # CN7 CN7 ON2 P
+ 113 1.9 1 180 0 # CN7 CN7 ON2 P
+ 114 0 6 180 0 # CN7 CN7 ON6B CN7B
+ 115 0.195 3 0 1 # CN7 CN7B CN7B HN7
+ 116 0 3 0 1 # CN7 CN7B CN7B NN2
+ 117 0 3 0 1 # CN7 CN7B CN7B NN2B
+ 118 0.4 6 0 0 # CN7 CN7B CN7B ON6B
+ 119 0.3 3 0 1 # CN7 CN7B ON5 HN5
+ 120 0 1 0 0 # CN7 CN7B ON5 HN5
+ 121 0.2 1 120 1 # CN7 CN8B ON2 P
+ 122 1.2 1 180 1 # CN7 ON2 P ON2
+ 123 0.1 2 180 0 # CN7 ON2 P ON2
+ 124 0.1 3 180 0 # CN7 ON2 P ON2
+ 125 0 6 0 0 # CN7 ON2 P ON2
+ 126 0.1 3 0 1 # CN7 ON2 P ON3
+ 127 0 6 0 0 # CN7 ON6B CN7B CN7B
+ 128 0 3 0 1 # CN7 ON6B CN7B HN7
+ 129 0 3 0 1 # CN7 ON6B CN7B NN2
+ 130 0 3 0 1 # CN7 ON6B CN7B NN2B
+ 131 0.2 4 180 1 # CN7B CN7 CN7 CN8B
+ 132 0.195 3 0 1 # CN7B CN7 CN7 HN7
+ 133 0 3 0 0 # CN7B CN7 CN7 ON6B
+ 134 2.5 1 180 1 # CN7B CN7 ON2 P
+ 135 0.195 3 0 1 # CN7B CN7B CN7 HN7
+ 136 0.6 6 0 1 # CN7B CN7B CN7 ON2
+ 137 0 5 0 0 # CN7B CN7B CN7 ON2
+ 138 1.6 3 180 0 # CN7B CN7B CN7 ON2
+ 139 0 6 180 1 # CN7B CN7B ON5 HN5
+ 140 0.8 3 0 0 # CN7B CN7B ON5 HN5
+ 141 0 2 180 0 # CN7B CN7B ON5 HN5
+ 142 0 1 180 0 # CN7B CN7B ON5 HN5
+ 143 11 2 180 1 # CN7B NN2 CN1 NN3
+ 144 11 2 180 1 # CN7B NN2 CN1 ON1C
+ 145 0.3 2 180 1 # CN7B NN2 CN3 HN3
+ 146 0.3 2 180 1 # CN7B NN2 CN4 HN3
+ 147 11 2 180 1 # CN7B NN2 CN4 NN4
+ 148 1.5 2 180 1 # CN7B NN2 CN5 NN3A
+ 149 11 2 180 1 # CN7B NN2B CN1T NN2U
+ 150 11 2 180 1 # CN7B NN2B CN1T ON1
+ 151 0.3 2 180 1 # CN7B NN2B CN3 HN3
+ 152 0.3 2 180 1 # CN7B NN2B CN4 HN3
+ 153 11 2 180 1 # CN7B NN2B CN4 NN4
+ 154 11 2 180 1 # CN7B NN2B CN5 NN3G
+ 155 2 3 0 1 # CN7B ON6B CN7 CN8B
+ 156 0.195 3 0 1 # CN7B ON6B CN7 HN7
+ 157 0.195 3 0 1 # CN8B CN7 CN7 HN7
+ 158 0.2 4 0 1 # CN8B CN7 CN7 ON2
+ 159 0.8 3 180 0 # CN8B CN7 CN7 ON2
+ 160 1.2 1 180 1 # CN8B ON2 P ON2
+ 161 0.1 2 180 0 # CN8B ON2 P ON2
+ 162 0.1 3 180 0 # CN8B ON2 P ON2
+ 163 0 6 0 0 # CN8B ON2 P ON2
+ 164 0.1 3 0 1 # CN8B ON2 P ON3
+ 165 1 2 180 1 # CN9 CN3T CN1 NN2U
+ 166 1 2 180 1 # CN9 CN3T CN1 ON1
+ 167 1 2 180 1 # CN9 CN3T CN3 HN3
+ 168 5.6 2 180 1 # CN9 CN3T CN3 NN2B
+ 169 1.2 2 180 1 # HN1 NN1 CN2 NN2G
+ 170 1 2 180 1 # HN1 NN1 CN2 NN3
+ 171 0.5 2 180 1 # HN1 NN1 CN2 NN3A
+ 172 1.2 2 180 1 # HN1 NN1 CN2 NN3G
+ 173 0 2 180 1 # HN2 NN2G CN1 ON1
+ 174 0 2 180 1 # HN2 NN2G CN2 NN1
+ 175 3.6 2 180 1 # HN2 NN2G CN2 NN3G
+ 176 0 2 180 1 # HN2 NN2U CN1 ON1
+ 177 3.8 2 180 1 # HN2 NN2U CN1T NN2B
+ 178 0 2 180 1 # HN2 NN2U CN1T ON1
+ 179 2 2 180 1 # HN3 CN3 CN2 NN1
+ 180 3.4 2 180 1 # HN3 CN3 CN2 NN3
+ 181 3 2 180 1 # HN3 CN3 CN3 HN3
+ 182 3.4 2 180 1 # HN3 CN3 CN3 NN2
+ 183 0 3 0 1 # HN5 ON5 CN7B HN7
+ 184 0.195 3 0 1 # HN7 CN7 CN7 HN7
+ 185 0.195 3 0 1 # HN7 CN7 CN7 ON2
+ 186 0.195 3 180 1 # HN7 CN7 CN7 ON6B
+ 187 0.195 3 0 1 # HN7 CN7 CN7B HN7
+ 188 0.195 3 0 1 # HN7 CN7 CN7B ON5
+ 189 0.195 3 0 1 # HN7 CN7 CN8B HN8
+ 190 0.195 3 0 1 # HN7 CN7 CN8B ON2
+ 191 0 3 0 1 # HN7 CN7 ON2 P
+ 192 0.195 3 0 1 # HN7 CN7B CN7 ON2
+ 193 0 3 0 1 # HN7 CN7B CN7B HN7
+ 194 0 3 0 1 # HN7 CN7B CN7B NN2
+ 195 0 3 0 1 # HN7 CN7B CN7B NN2B
+ 196 0 3 0 1 # HN7 CN7B CN7B ON5
+ 197 0.195 3 0 1 # HN7 CN7B CN7B ON6B
+ 198 0.195 1 0 1 # HN8 CN8B CN7 ON6B
+ 199 0 3 0 1 # HN8 CN8B ON2 P
+ 200 0 2 180 1 # NN1 CN2 CN5 NN4
+ 201 14 2 180 0 # NN2 CN5 CN5 NN4
+ 202 0 3 0 1 # NN2 CN7B CN7B ON5
+ 203 10 2 180 0 # NN2B CN5 CN5G NN4
+ 204 0 3 0 1 # NN2B CN7B CN7B ON5
+ 205 2 2 180 1 # NN2G CN1 CN5G NN4
+ 206 2 2 180 1 # NN3A CN2 CN5 NN4
+ 207 7 2 180 1 # NN3A CN5 CN5 NN4
+ 208 10 2 180 1 # NN3G CN5 CN5G NN4
+ 209 0 2 180 1 # NN4 CN5G CN1 ON1
+ 210 0.4 6 0 1 # ON2 CN7 CN7 ON6B
+ 211 0 5 0 0 # ON2 CN7 CN7 ON6B
+ 212 0 4 180 0 # ON2 CN7 CN7 ON6B
+ 213 1.6 3 0 0 # ON2 CN7 CN7 ON6B
+ 214 0 3 0 1 # ON2 CN7 CN7B ON5
+ 215 3.4 1 180 1 # ON2 CN8B CN7 ON6B
+ 216 0 3 0 1 # ON5 CN7B CN7B ON6B
Dihedrals
@@ -7146,18 +7146,18 @@ Dihedrals
1658 188 523 521 525 526 # HN7 CN7 CN7B ON5
1659 119 524 523 521 525 # CN7 CN7B ON5 HN5
-Improper Coeffs
+Improper Coeffs # harmonic
- 1 80 0 # CN1 NN2 NN3 ON1C
- 2 90 0 # CN1 NN2G CN5G ON1
- 3 90 0 # CN1 NN2U CN3T ON1
- 4 110 0 # CN1T NN2B NN2U ON1
- 5 60 0 # CN2 NN3 CN3 NN1
- 6 40 0 # CN2 NN3A CN5 NN1
- 7 40 0 # CN2 NN3G NN2G NN1
- 8 14 0 # CN3T CN1 CN3 CN9
- 9 4 0 # HN1 CN2 HN1 NN1
- 10 6 0 # HN1 HN1 CN2 NN1
+ 1 80 0 # CN1 NN2 NN3 ON1C
+ 2 90 0 # CN1 NN2G CN5G ON1
+ 3 90 0 # CN1 NN2U CN3T ON1
+ 4 110 0 # CN1T NN2B NN2U ON1
+ 5 60 0 # CN2 NN3 CN3 NN1
+ 6 40 0 # CN2 NN3A CN5 NN1
+ 7 40 0 # CN2 NN3G NN2G NN1
+ 8 14 0 # CN3T CN1 CN3 CN9
+ 9 4 0 # HN1 CN2 HN1 NN1
+ 10 6 0 # HN1 HN1 CN2 NN1
Impropers
diff --git a/tools/ch2lmp/example/1ac7.in b/tools/ch2lmp/example/1ac7.in
index 9080205f934dd9830fac4e04f0b10adf1ae35628..4a4008a31ce83a6a6b48262c50f05efd02335789 100644
--- a/tools/ch2lmp/example/1ac7.in
+++ b/tools/ch2lmp/example/1ac7.in
@@ -1,4 +1,4 @@
-# Created by charmm2lammps v1.6.2 on Fri Jun 3 14:07:02 MDT 2005
+# Created by charmm2lammps v1.9.0 on Mon Oct 3 06:55:39 EDT 2016
units real
neigh_modify delay 2 every 1
@@ -9,21 +9,23 @@ angle_style charmm
dihedral_style charmm
improper_style harmonic
-pair_style lj/charmm/coul/long 8 10
+pair_style lj/charmm/coul/long 8 12
pair_modify mix arithmetic
-kspace_style pppm 1e-4
+kspace_style pppm 1e-6
read_data 1ac7.data
special_bonds charmm
-fix 1 all nve
-fix 2 all shake 1e-6 500 0 m 1.0 a 93
-velocity all create 0.0 12345678 dist uniform
-
thermo 1
thermo_style multi
timestep 0.5
+minimize 0.0 0.0 1000 10000
+
+fix 1 all nve
+fix 2 all shake 1e-6 500 0 m 1.0 a 93
+velocity all create 0.0 12345678 dist uniform
+
restart 10 1ac7.restart1 1ac7.restart2
dump 1 all atom 10 1ac7.dump
dump_modify 1 image yes scale yes
diff --git a/tools/ch2lmp/example/1ac7.pdb b/tools/ch2lmp/example/1ac7.pdb
old mode 100755
new mode 100644
diff --git a/tools/ch2lmp/example/1ac7.pdb1 b/tools/ch2lmp/example/1ac7.pdb1
old mode 100755
new mode 100644
diff --git a/tools/ch2lmp/example/1ac7.pgn b/tools/ch2lmp/example/1ac7.pgn
old mode 100755
new mode 100644
diff --git a/tools/ch2lmp/example/1ac7.psf b/tools/ch2lmp/example/1ac7.psf
old mode 100755
new mode 100644
diff --git a/tools/ch2lmp/example/1ac7_ctrl.pdb b/tools/ch2lmp/example/1ac7_ctrl.pdb
index 5e571e3da97021ba5302d1aa570df42d1a11e1fd..89e296c149b9e68e7a2ba30b8339ea7d74517222 100644
--- a/tools/ch2lmp/example/1ac7_ctrl.pdb
+++ b/tools/ch2lmp/example/1ac7_ctrl.pdb
@@ -1,746 +1,746 @@
REMARK
REMARK CONTROL PDB 1ac7_ctrl.pdb
-REMARK CREATED BY charmm2lammps v1.6.2 ON Fri Jun 3 14:07:00 MDT 2005
+REMARK CREATED BY charmm2lammps v1.9.0 ON Mon Oct 3 06:55:39 EDT 2016
REMARK
-ATOM 1 P ADE 1 3.759 0.457 0.076 1.00 0.00 A
-ATOM 2 O1P ADE 1 2.779 0.279 0.171 1.00 0.00 A
-ATOM 3 O2P ADE 1 4.489 -0.205 0.246 1.00 0.00 A
-ATOM 4 O5' ADE 1 3.969 1.972 -0.393 1.00 0.00 A
-ATOM 5 C5' ADE 1 5.044 2.279 -1.29 1.00 0.00 A
-ATOM 6 H5' ADE 1 4.671 2.29 -2.305 1.00 0.00 A
-ATOM 7 H5'' ADE 1 5.816 1.501 -1.189 1.00 0.00 A
-ATOM 8 C4' ADE 1 5.648 3.651 -1.028 1.00 0.00 A
-ATOM 9 H4' ADE 1 6.646 3.694 -1.462 1.00 0.00 A
-ATOM 10 O4' ADE 1 4.831 4.694 -1.619 1.00 0.00 A
-ATOM 11 C1' ADE 1 4.388 5.605 -0.589 1.00 0.00 A
-ATOM 12 H1' ADE 1 4.979 6.519 -0.638 1.00 0.00 A
-ATOM 13 N9 ADE 1 2.96 5.94 -0.745 1.00 0.00 A
-ATOM 14 C5 ADE 1 1.063 7.037 -0.974 1.00 0.00 A
-ATOM 15 N7 ADE 1 0.73 5.679 -1.026 1.00 0.00 A
-ATOM 16 C8 ADE 1 1.887 5.123 -0.884 1.00 0.00 A
-ATOM 17 H8 ADE 1 1.997 4.038 -0.875 1.00 0.00 A
-ATOM 18 N1 ADE 1 0.95 9.38 -0.971 1.00 0.00 A
-ATOM 19 C2 ADE 1 2.273 9.407 -0.803 1.00 0.00 A
-ATOM 20 H2 ADE 1 2.731 10.392 -0.73 1.00 0.00 A
-ATOM 21 N3 ADE 1 3.091 8.365 -0.708 1.00 0.00 A
-ATOM 22 C4 ADE 1 2.417 7.202 -0.802 1.00 0.00 A
-ATOM 23 C6 ADE 1 0.298 8.207 -1.063 1.00 0.00 A
-ATOM 24 N6 ADE 1 -1.022 8.204 -1.236 1.00 0.00 A
-ATOM 25 H61 ADE 1 -1.526 9.077 -1.294 1.00 0.00 A
-ATOM 26 H62 ADE 1 -1.52 7.328 -1.309 1.00 0.00 A
-ATOM 27 C2' ADE 1 4.646 4.918 0.727 1.00 0.00 A
-ATOM 28 H2'' ADE 1 4.989 5.649 1.459 1.00 0.00 A
-ATOM 29 O2' ADE 1 5.086 5.931 1.621 1.00 0.00 A
-ATOM 30 H2' ADE 1 3.741 4.398 1.062 1.00 0.00 A
-ATOM 31 C3' ADE 1 5.735 3.93 0.467 1.00 0.00 A
-ATOM 32 H3' ADE 1 5.546 3.013 1.029 1.00 0.00 A
-ATOM 33 O3' ADE 1 7.011 4.478 0.823 1.00 0.00 A
-ATOM 34 P THY 2 7.364 4.806 2.358 1.00 0.00 A
-ATOM 35 O1P THY 2 8.839 4.776 2.53 1.00 0.00 A
-ATOM 36 O2P THY 2 6.515 3.962 3.238 1.00 0.00 A
-ATOM 37 O5' THY 2 6.861 6.33 2.454 1.00 0.00 A
-ATOM 38 C5' THY 2 7.276 7.297 1.48 1.00 0.00 A
-ATOM 39 H5' THY 2 6.804 7.074 0.532 1.00 0.00 A
-ATOM 40 H5'' THY 2 8.368 7.233 1.371 1.00 0.00 A
-ATOM 41 C4' THY 2 6.873 8.719 1.849 1.00 0.00 A
-ATOM 42 H4' THY 2 7.506 9.419 1.306 1.00 0.00 A
-ATOM 43 O4' THY 2 5.486 8.978 1.507 1.00 0.00 A
-ATOM 44 C1' THY 2 4.768 9.415 2.684 1.00 0.00 A
-ATOM 45 H1' THY 2 4.665 10.5 2.653 1.00 0.00 A
-ATOM 46 N1 THY 2 3.423 8.799 2.747 1.00 0.00 A
-ATOM 47 C6 THY 2 3.266 7.442 2.852 1.00 0.00 A
-ATOM 48 H6 THY 2 4.14 6.814 2.982 1.00 0.00 A
-ATOM 49 C2 THY 2 2.337 9.639 2.626 1.00 0.00 A
-ATOM 50 O2 THY 2 2.458 10.86 2.552 1.00 0.00 A
-ATOM 51 N3 THY 2 1.099 9.029 2.606 1.00 0.00 A
-ATOM 52 H3 THY 2 0.308 9.625 2.509 1.00 0.00 A
-ATOM 53 C4 THY 2 0.851 7.673 2.697 1.00 0.00 A
-ATOM 54 O4 THY 2 -0.302 7.243 2.661 1.00 0.00 A
-ATOM 55 C5 THY 2 2.045 6.871 2.827 1.00 0.00 A
-ATOM 56 C5M THY 2 1.928 5.354 2.91 1.00 0.00 A
-ATOM 57 H51 THY 2 1.213 5.085 3.678 1.00 0.00 A
-ATOM 58 H52 THY 2 2.903 4.926 3.15 1.00 0.00 A
-ATOM 59 H53 THY 2 1.589 4.964 1.96 1.00 0.00 A
-ATOM 60 C2' THY 2 5.626 9.038 3.865 1.00 0.00 A
-ATOM 61 H2'' THY 2 5.564 9.815 4.63 1.00 0.00 A
-ATOM 62 O2' THY 2 5.49 10.094 4.806 1.00 0.00 A
-ATOM 63 H2' THY 2 5.324 8.059 4.256 1.00 0.00 A
-ATOM 64 C3' THY 2 7.025 8.967 3.345 1.00 0.00 A
-ATOM 65 H3' THY 2 7.553 8.132 3.808 1.00 0.00 A
-ATOM 66 O3' THY 2 7.719 10.196 3.596 1.00 0.00 A
-ATOM 67 P CYT 3 7.98 10.697 5.1 1.00 0.00 A
-ATOM 68 O1P CYT 3 9.28 11.413 5.15 1.00 0.00 A
-ATOM 69 O2P CYT 3 7.737 9.569 6.034 1.00 0.00 A
-ATOM 70 O5' CYT 3 6.789 11.768 5.253 1.00 0.00 A
-ATOM 71 C5' CYT 3 6.72 12.904 4.38 1.00 0.00 A
-ATOM 72 H5' CYT 3 6.534 12.568 3.369 1.00 0.00 A
-ATOM 73 H5'' CYT 3 7.686 13.43 4.42 1.00 0.00 A
-ATOM 74 C4' CYT 3 5.593 13.866 4.739 1.00 0.00 A
-ATOM 75 H4' CYT 3 5.709 14.779 4.157 1.00 0.00 A
-ATOM 76 O4' CYT 3 4.292 13.29 4.45 1.00 0.00 A
-ATOM 77 C1' CYT 3 3.465 13.339 5.637 1.00 0.00 A
-ATOM 78 H1' CYT 3 2.791 14.192 5.565 1.00 0.00 A
-ATOM 79 N1 CYT 3 2.672 12.098 5.79 1.00 0.00 A
-ATOM 80 C6 CYT 3 3.282 10.889 5.955 1.00 0.00 A
-ATOM 81 H6 CYT 3 4.365 10.84 6.032 1.00 0.00 A
-ATOM 82 C5 CYT 3 2.559 9.76 6.045 1.00 0.00 A
-ATOM 83 H5 CYT 3 3.039 8.789 6.164 1.00 0.00 A
-ATOM 84 C2 CYT 3 1.294 12.207 5.721 1.00 0.00 A
-ATOM 85 O2 CYT 3 0.763 13.308 5.588 1.00 0.00 A
-ATOM 86 N3 CYT 3 0.558 11.072 5.813 1.00 0.00 A
-ATOM 87 C4 CYT 3 1.14 9.878 5.968 1.00 0.00 A
-ATOM 88 N4 CYT 3 0.379 8.788 6.044 1.00 0.00 A
-ATOM 89 H41 CYT 3 0.806 7.88 6.157 1.00 0.00 A
-ATOM 90 H42 CYT 3 -0.626 8.869 5.991 1.00 0.00 A
-ATOM 91 C2' CYT 3 4.407 13.552 6.796 1.00 0.00 A
-ATOM 92 H2'' CYT 3 3.94 14.214 7.534 1.00 0.00 A
-ATOM 93 O2' CYT 3 3.733 14.417 7.7 1.00 0.00 A
-ATOM 94 H2' CYT 3 4.689 12.59 7.236 1.00 0.00 A
-ATOM 95 C3' CYT 3 5.616 14.221 6.221 1.00 0.00 A
-ATOM 96 H3' CYT 3 6.518 13.815 6.685 1.00 0.00 A
-ATOM 97 O3' CYT 3 5.555 15.639 6.408 1.00 0.00 A
-ATOM 98 P CYT 4 5.538 16.275 7.882 1.00 0.00 A
-ATOM 99 O1P CYT 4 6.177 17.615 7.835 1.00 0.00 A
-ATOM 100 O2P CYT 4 6.033 15.266 8.851 1.00 0.00 A
-ATOM 101 O5' CYT 4 3.955 16.462 8.083 1.00 0.00 A
-ATOM 102 C5' CYT 4 3.157 17.011 7.025 1.00 0.00 A
-ATOM 103 H5' CYT 4 3.112 16.305 6.208 1.00 0.00 A
-ATOM 104 H5'' CYT 4 3.632 17.942 6.682 1.00 0.00 A
-ATOM 105 C4' CYT 4 1.722 17.289 7.449 1.00 0.00 A
-ATOM 106 H4' CYT 4 1.321 18.095 6.835 1.00 0.00 A
-ATOM 107 O4' CYT 4 0.888 16.113 7.28 1.00 0.00 A
-ATOM 108 C1' CYT 4 0.232 15.803 8.531 1.00 0.00 A
-ATOM 109 H1' CYT 4 -0.791 16.175 8.498 1.00 0.00 A
-ATOM 110 N1 CYT 4 0.215 14.343 8.782 1.00 0.00 A
-ATOM 111 C6 CYT 4 1.375 13.644 8.967 1.00 0.00 A
-ATOM 112 H6 CYT 4 2.327 14.165 8.951 1.00 0.00 A
-ATOM 113 C5 CYT 4 1.351 12.313 9.169 1.00 0.00 A
-ATOM 114 H5 CYT 4 2.272 11.748 9.314 1.00 0.00 A
-ATOM 115 C2 CYT 4 -1.018 13.712 8.8 1.00 0.00 A
-ATOM 116 O2 CYT 4 -2.05 14.359 8.636 1.00 0.00 A
-ATOM 117 N3 CYT 4 -1.049 12.37 9.003 1.00 0.00 A
-ATOM 118 C4 CYT 4 0.078 11.668 9.183 1.00 0.00 A
-ATOM 119 N4 CYT 4 0.01 10.348 9.372 1.00 0.00 A
-ATOM 120 H41 CYT 4 0.855 9.814 9.502 1.00 0.00 A
-ATOM 121 H42 CYT 4 -0.885 9.881 9.386 1.00 0.00 A
-ATOM 122 C2' CYT 4 0.992 16.545 9.602 1.00 0.00 A
-ATOM 123 H2'' CYT 4 0.293 16.923 10.35 1.00 0.00 A
-ATOM 124 O2' CYT 4 0.02 17 10.533 1.00 0.00 A
-ATOM 125 H2' CYT 4 1.751 15.896 10.049 1.00 0.00 A
-ATOM 126 C3' CYT 4 1.648 17.697 8.914 1.00 0.00 A
-ATOM 127 H3' CYT 4 2.656 17.837 9.31 1.00 0.00 A
-ATOM 128 O3' CYT 4 0.881 18.892 9.085 1.00 0.00 A
-ATOM 129 P THY 5 0.647 19.496 10.554 1.00 0.00 A
-ATOM 130 O1P THY 5 0.561 20.975 10.457 1.00 0.00 A
-ATOM 131 O2P THY 5 1.626 18.884 11.487 1.00 0.00 A
-ATOM 132 O5' THY 5 -0.815 18.907 10.868 1.00 0.00 A
-ATOM 133 C5' THY 5 -1.928 19.273 10.041 1.00 0.00 A
-ATOM 134 H5' THY 5 -1.694 19.051 9.009 1.00 0.00 A
-ATOM 135 H5'' THY 5 -2.101 20.352 10.155 1.00 0.00 A
-ATOM 136 C4' THY 5 -3.2 18.507 10.381 1.00 0.00 A
-ATOM 137 H4' THY 5 -3.974 18.774 9.662 1.00 0.00 A
-ATOM 138 O4' THY 5 -2.989 17.071 10.326 1.00 0.00 A
-ATOM 139 C1' THY 5 -3.41 16.473 11.574 1.00 0.00 A
-ATOM 140 H1' THY 5 -4.409 16.057 11.449 1.00 0.00 A
-ATOM 141 N1 THY 5 -2.482 15.396 11.992 1.00 0.00 A
-ATOM 142 C6 THY 5 -1.153 15.644 12.196 1.00 0.00 A
-ATOM 143 H6 THY 5 -0.79 16.668 12.147 1.00 0.00 A
-ATOM 144 C2 THY 5 -3 14.117 12.096 1.00 0.00 A
-ATOM 145 O2 THY 5 -4.196 13.881 11.943 1.00 0.00 A
-ATOM 146 N3 THY 5 -2.094 13.117 12.403 1.00 0.00 A
-ATOM 147 H3 THY 5 -2.449 12.182 12.472 1.00 0.00 A
-ATOM 148 C4 THY 5 -0.742 13.28 12.614 1.00 0.00 A
-ATOM 149 O4 THY 5 -0.032 12.308 12.873 1.00 0.00 A
-ATOM 150 C5 THY 5 -0.289 14.648 12.492 1.00 0.00 A
-ATOM 151 C5M THY 5 1.191 14.967 12.669 1.00 0.00 A
-ATOM 152 H51 THY 5 1.55 14.53 13.594 1.00 0.00 A
-ATOM 153 H52 THY 5 1.333 16.047 12.693 1.00 0.00 A
-ATOM 154 H53 THY 5 1.751 14.549 11.843 1.00 0.00 A
-ATOM 155 C2' THY 5 -3.465 17.594 12.579 1.00 0.00 A
-ATOM 156 H2'' THY 5 -4.306 17.435 13.264 1.00 0.00 A
-ATOM 157 O2' THY 5 -4.58 17.322 13.417 1.00 0.00 A
-ATOM 158 H2' THY 5 -2.511 17.661 13.116 1.00 0.00 A
-ATOM 159 C3' THY 5 -3.691 18.844 11.781 1.00 0.00 A
-ATOM 160 H3' THY 5 -3.096 19.66 12.197 1.00 0.00 A
-ATOM 161 O3' THY 5 -5.077 19.199 11.761 1.00 0.00 A
-ATOM 162 P ADE 6 -5.692 20.169 12.882 1.00 0.00 A
-ATOM 163 O1P ADE 6 -6.683 21.072 12.244 1.00 0.00 A
-ATOM 164 O2P ADE 6 -4.583 20.752 13.678 1.00 0.00 A
-ATOM 165 O5' ADE 6 -6.471 19.094 13.785 1.00 0.00 A
-ATOM 166 C5' ADE 6 -7.541 18.319 13.232 1.00 0.00 A
-ATOM 167 H5' ADE 6 -7.211 17.85 12.315 1.00 0.00 A
-ATOM 168 H5'' ADE 6 -8.386 18.991 13.021 1.00 0.00 A
-ATOM 169 C4' ADE 6 -7.985 17.203 14.162 1.00 0.00 A
-ATOM 170 H4' ADE 6 -8.974 16.858 13.863 1.00 0.00 A
-ATOM 171 O4' ADE 6 -7.06 16.084 14.109 1.00 0.00 A
-ATOM 172 C1' ADE 6 -6.626 15.77 15.448 1.00 0.00 A
-ATOM 173 H1' ADE 6 -7.241 14.954 15.831 1.00 0.00 A
-ATOM 174 N9 ADE 6 -5.206 15.361 15.499 1.00 0.00 A
-ATOM 175 C5 ADE 6 -3.38 14.152 15.741 1.00 0.00 A
-ATOM 176 N7 ADE 6 -2.949 15.48 15.662 1.00 0.00 A
-ATOM 177 C8 ADE 6 -4.07 16.107 15.522 1.00 0.00 A
-ATOM 178 H8 ADE 6 -4.1 17.19 15.422 1.00 0.00 A
-ATOM 179 N1 ADE 6 -3.441 11.818 15.931 1.00 0.00 A
-ATOM 180 C2 ADE 6 -4.769 11.882 15.816 1.00 0.00 A
-ATOM 181 H2 ADE 6 -5.306 10.937 15.837 1.00 0.00 A
-ATOM 182 N3 ADE 6 -5.509 12.969 15.668 1.00 0.00 A
-ATOM 183 C4 ADE 6 -4.749 14.077 15.638 1.00 0.00 A
-ATOM 184 C6 ADE 6 -2.701 12.939 15.9 1.00 0.00 A
-ATOM 185 N6 ADE 6 -1.379 12.855 16.045 1.00 0.00 A
-ATOM 186 H61 ADE 6 -0.941 11.951 16.157 1.00 0.00 A
-ATOM 187 H62 ADE 6 -0.816 13.693 16.045 1.00 0.00 A
-ATOM 188 C2' ADE 6 -6.89 17.001 16.274 1.00 0.00 A
-ATOM 189 H2'' ADE 6 -7.162 16.715 17.291 1.00 0.00 A
-ATOM 190 O2' ADE 6 -7.256 16.544 17.569 1.00 0.00 A
-ATOM 191 H2' ADE 6 -6.014 17.659 16.261 1.00 0.00 A
-ATOM 192 C3' ADE 6 -8.041 17.687 15.608 1.00 0.00 A
-ATOM 193 H3' ADE 6 -7.903 18.77 15.646 1.00 0.00 A
-ATOM 194 O3' ADE 6 -9.285 17.318 16.221 1.00 0.00 A
-ATOM 195 P GUA 7 -9.843 18.105 17.507 1.00 0.00 A
-ATOM 196 O1P GUA 7 -11.229 18.561 17.226 1.00 0.00 A
-ATOM 197 O2P GUA 7 -8.828 19.1 17.939 1.00 0.00 A
-ATOM 198 O5' GUA 7 -9.897 16.91 18.585 1.00 0.00 A
-ATOM 199 C5' GUA 7 -10.177 15.56 18.181 1.00 0.00 A
-ATOM 200 H5' GUA 7 -9.745 15.381 17.207 1.00 0.00 A
-ATOM 201 H5'' GUA 7 -11.27 15.426 18.114 1.00 0.00 A
-ATOM 202 C4' GUA 7 -9.561 14.522 19.125 1.00 0.00 A
-ATOM 203 H4' GUA 7 -10.025 13.556 18.935 1.00 0.00 A
-ATOM 204 O4' GUA 7 -8.133 14.405 18.887 1.00 0.00 A
-ATOM 205 C1' GUA 7 -7.41 14.638 20.119 1.00 0.00 A
-ATOM 206 H1' GUA 7 -7.083 13.684 20.529 1.00 0.00 A
-ATOM 207 N9 GUA 7 -6.233 15.5 19.896 1.00 0.00 A
-ATOM 208 C4 GUA 7 -4.911 15.108 19.923 1.00 0.00 A
-ATOM 209 N2 GUA 7 -2.51 12.617 20.326 1.00 0.00 A
-ATOM 210 H21 GUA 7 -1.501 12.565 20.299 1.00 0.00 A
-ATOM 211 H22 GUA 7 -3.053 11.785 20.505 1.00 0.00 A
-ATOM 212 N3 GUA 7 -4.458 13.854 20.155 1.00 0.00 A
-ATOM 213 C2 GUA 7 -3.123 13.783 20.119 1.00 0.00 A
-ATOM 214 N1 GUA 7 -2.305 14.867 19.874 1.00 0.00 A
-ATOM 215 H1 GUA 7 -1.305 14.73 19.867 1.00 0.00 A
-ATOM 216 C6 GUA 7 -2.744 16.163 19.632 1.00 0.00 A
-ATOM 217 O6 GUA 7 -1.932 17.06 19.42 1.00 0.00 A
-ATOM 218 C5 GUA 7 -4.162 16.248 19.668 1.00 0.00 A
-ATOM 219 N7 GUA 7 -4.998 17.354 19.481 1.00 0.00 A
-ATOM 220 C8 GUA 7 -6.168 16.829 19.63 1.00 0.00 A
-ATOM 221 H8 GUA 7 -7.071 17.433 19.552 1.00 0.00 A
-ATOM 222 C2' GUA 7 -8.383 15.282 21.074 1.00 0.00 A
-ATOM 223 H2'' GUA 7 -8.214 14.899 22.086 1.00 0.00 A
-ATOM 224 O2' GUA 7 -8.103 14.731 22.354 1.00 0.00 A
-ATOM 225 H2' GUA 7 -8.286 16.373 21.035 1.00 0.00 A
-ATOM 226 C3' GUA 7 -9.744 14.878 20.608 1.00 0.00 A
-ATOM 227 H3' GUA 7 -10.429 15.719 20.727 1.00 0.00 A
-ATOM 228 O3' GUA 7 -10.214 13.747 21.352 1.00 0.00 A
-ATOM 229 P THY 8 -10.47 13.861 22.933 1.00 0.00 A
-ATOM 230 O1P THY 8 -11.662 13.049 23.287 1.00 0.00 A
-ATOM 231 O2P THY 8 -10.423 15.292 23.326 1.00 0.00 A
-ATOM 232 O5' THY 8 -9.152 13.125 23.489 1.00 0.00 A
-ATOM 233 C5' THY 8 -9.105 11.695 23.588 1.00 0.00 A
-ATOM 234 H5' THY 8 -9.468 11.262 22.666 1.00 0.00 A
-ATOM 235 H5'' THY 8 -9.754 11.381 24.418 1.00 0.00 A
-ATOM 236 C4' THY 8 -7.687 11.168 23.791 1.00 0.00 A
-ATOM 237 H4' THY 8 -7.609 10.181 23.338 1.00 0.00 A
-ATOM 238 O4' THY 8 -6.715 12.044 23.168 1.00 0.00 A
-ATOM 239 C1' THY 8 -5.719 12.435 24.137 1.00 0.00 A
-ATOM 240 H1' THY 8 -4.826 11.809 24 1.00 0.00 A
-ATOM 241 N1 THY 8 -5.347 13.86 23.988 1.00 0.00 A
-ATOM 242 C6 THY 8 -6.259 14.865 24.197 1.00 0.00 A
-ATOM 243 H6 THY 8 -7.285 14.614 24.463 1.00 0.00 A
-ATOM 244 C2 THY 8 -4.038 14.136 23.637 1.00 0.00 A
-ATOM 245 O2 THY 8 -3.212 13.247 23.443 1.00 0.00 A
-ATOM 246 N3 THY 8 -3.711 15.473 23.513 1.00 0.00 A
-ATOM 247 H3 THY 8 -2.758 15.688 23.257 1.00 0.00 A
-ATOM 248 C4 THY 8 -4.564 16.543 23.707 1.00 0.00 A
-ATOM 249 O4 THY 8 -4.163 17.697 23.57 1.00 0.00 A
-ATOM 250 C5 THY 8 -5.91 16.163 24.071 1.00 0.00 A
-ATOM 251 C5M THY 8 -6.952 17.25 24.322 1.00 0.00 A
-ATOM 252 H51 THY 8 -7.951 16.823 24.241 1.00 0.00 A
-ATOM 253 H52 THY 8 -6.834 18.044 23.584 1.00 0.00 A
-ATOM 254 H53 THY 8 -6.813 17.662 25.322 1.00 0.00 A
-ATOM 255 C2' THY 8 -6.324 12.155 25.493 1.00 0.00 A
-ATOM 256 H2'' THY 8 -5.551 11.817 26.188 1.00 0.00 A
-ATOM 257 O2' THY 8 -5.259 11.702 26.317 1.00 0.00 A
-ATOM 258 H2' THY 8 -6.834 13.05 25.864 1.00 0.00 A
-ATOM 259 C3' THY 8 -7.326 11.065 25.272 1.00 0.00 A
-ATOM 260 H3' THY 8 -8.207 11.245 25.89 1.00 0.00 A
-ATOM 261 O3' THY 8 -6.76 9.782 25.572 1.00 0.00 A
-ATOM 262 P THY 9 -6.511 9.33 27.094 1.00 0.00 A
-ATOM 263 O1P THY 9 -6.391 7.851 27.145 1.00 0.00 A
-ATOM 264 O2P THY 9 -7.505 10.007 27.965 1.00 0.00 A
-ATOM 265 O5' THY 9 -5.064 9.98 27.352 1.00 0.00 A
-ATOM 266 C5' THY 9 -3.88 9.385 26.799 1.00 0.00 A
-ATOM 267 H5' THY 9 -4.151 8.5 26.239 1.00 0.00 A
-ATOM 268 H5'' THY 9 -3.212 9.106 27.628 1.00 0.00 A
-ATOM 269 C4' THY 9 -3.16 10.317 25.831 1.00 0.00 A
-ATOM 270 H4' THY 9 -3.569 10.18 24.831 1.00 0.00 A
-ATOM 271 O4' THY 9 -3.322 11.705 26.223 1.00 0.00 A
-ATOM 272 C1' THY 9 -2.022 12.314 26.402 1.00 0.00 A
-ATOM 273 H1' THY 9 -1.789 12.931 25.535 1.00 0.00 A
-ATOM 274 N1 THY 9 -1.98 13.144 27.62 1.00 0.00 A
-ATOM 275 C6 THY 9 -2.301 12.617 28.841 1.00 0.00 A
-ATOM 276 H6 THY 9 -2.602 11.572 28.91 1.00 0.00 A
-ATOM 277 C2 THY 9 -1.594 14.462 27.479 1.00 0.00 A
-ATOM 278 O2 THY 9 -1.304 14.946 26.388 1.00 0.00 A
-ATOM 279 N3 THY 9 -1.55 15.208 28.642 1.00 0.00 A
-ATOM 280 H3 THY 9 -1.266 16.173 28.556 1.00 0.00 A
-ATOM 281 C4 THY 9 -1.856 14.754 29.913 1.00 0.00 A
-ATOM 282 O4 THY 9 -1.781 15.506 30.882 1.00 0.00 A
-ATOM 283 C5 THY 9 -2.25 13.364 29.961 1.00 0.00 A
-ATOM 284 C5M THY 9 -2.613 12.733 31.301 1.00 0.00 A
-ATOM 285 H51 THY 9 -3.44 13.282 31.75 1.00 0.00 A
-ATOM 286 H52 THY 9 -1.749 12.768 31.965 1.00 0.00 A
-ATOM 287 H53 THY 9 -2.907 11.695 31.144 1.00 0.00 A
-ATOM 288 C2' THY 9 -1.031 11.183 26.492 1.00 0.00 A
-ATOM 289 H2'' THY 9 -0.104 11.461 25.976 1.00 0.00 A
-ATOM 290 O2' THY 9 0.13 11.618 25.797 1.00 0.00 A
-ATOM 291 H2' THY 9 -0.85 10.929 27.544 1.00 0.00 A
-ATOM 292 C3' THY 9 -1.667 10.028 25.792 1.00 0.00 A
-ATOM 293 H3' THY 9 -1.452 9.104 26.331 1.00 0.00 A
-ATOM 294 O3' THY 9 -1.201 9.937 24.447 1.00 0.00 A
-ATOM 295 P ADE 10 -0.315 8.688 23.992 1.00 0.00 A
-ATOM 296 O1P ADE 10 0.551 8.277 25.125 1.00 0.00 A
-ATOM 297 O2P ADE 10 0.304 8.985 22.676 1.00 0.00 A
-ATOM 298 O5' ADE 10 -1.467 7.588 23.799 1.00 0.00 A
-ATOM 299 C5' ADE 10 -1.147 6.209 23.981 1.00 0.00 A
-ATOM 300 H5' ADE 10 -1.499 5.914 24.943 1.00 0.00 A
-ATOM 301 H5'' ADE 10 -0.058 6.091 23.938 1.00 0.00 A
-ATOM 302 C4' ADE 10 -1.836 5.303 22.968 1.00 0.00 A
-ATOM 303 H4' ADE 10 -2.067 4.345 23.431 1.00 0.00 A
-ATOM 304 O4' ADE 10 -3.058 5.912 22.482 1.00 0.00 A
-ATOM 305 C1' ADE 10 -2.814 6.401 21.156 1.00 0.00 A
-ATOM 306 H1' ADE 10 -3.405 5.82 20.462 1.00 0.00 A
-ATOM 307 N9 ADE 10 -3.245 7.804 21.056 1.00 0.00 A
-ATOM 308 C5 ADE 10 -4.488 9.625 21.105 1.00 0.00 A
-ATOM 309 N7 ADE 10 -3.166 10.059 21.189 1.00 0.00 A
-ATOM 310 C8 ADE 10 -2.525 8.939 21.164 1.00 0.00 A
-ATOM 311 H8 ADE 10 -1.467 8.901 21.352 1.00 0.00 A
-ATOM 312 N1 ADE 10 -6.829 9.568 20.995 1.00 0.00 A
-ATOM 313 C2 ADE 10 -6.756 8.238 20.93 1.00 0.00 A
-ATOM 314 H2 ADE 10 -7.703 7.703 20.862 1.00 0.00 A
-ATOM 315 N3 ADE 10 -5.655 7.493 20.942 1.00 0.00 A
-ATOM 316 C4 ADE 10 -4.547 8.257 21.031 1.00 0.00 A
-ATOM 317 C6 ADE 10 -5.708 10.306 21.082 1.00 0.00 A
-ATOM 318 N6 ADE 10 -5.798 11.634 21.109 1.00 0.00 A
-ATOM 319 H61 ADE 10 -4.961 12.197 21.148 1.00 0.00 A
-ATOM 320 H62 ADE 10 -6.705 12.077 21.097 1.00 0.00 A
-ATOM 321 C2' ADE 10 -1.353 6.163 20.832 1.00 0.00 A
-ATOM 322 H2'' ADE 10 -1.255 5.812 19.797 1.00 0.00 A
-ATOM 323 O2' ADE 10 -1.304 5.706 19.487 1.00 0.00 A
-ATOM 324 H2' ADE 10 -0.763 7.061 21.013 1.00 0.00 A
-ATOM 325 C3' ADE 10 -0.922 5.089 21.772 1.00 0.00 A
-ATOM 326 H3' ADE 10 0.123 5.233 22.05 1.00 0.00 A
-ATOM 327 O3' ADE 10 -1.116 3.794 21.2 1.00 0.00 A
-ATOM 328 P THY 11 -0.3 3.354 19.891 1.00 0.00 A
-ATOM 329 O1P THY 11 0.097 1.93 20.024 1.00 0.00 A
-ATOM 330 O2P THY 11 0.734 4.378 19.599 1.00 0.00 A
-ATOM 331 O5' THY 11 -1.473 3.469 18.803 1.00 0.00 A
-ATOM 332 C5' THY 11 -2.662 2.689 18.966 1.00 0.00 A
-ATOM 333 H5' THY 11 -2.944 2.68 20.01 1.00 0.00 A
-ATOM 334 H5'' THY 11 -2.451 1.662 18.634 1.00 0.00 A
-ATOM 335 C4' THY 11 -3.851 3.245 18.197 1.00 0.00 A
-ATOM 336 H4' THY 11 -4.766 2.847 18.632 1.00 0.00 A
-ATOM 337 O4' THY 11 -3.901 4.696 18.258 1.00 0.00 A
-ATOM 338 C1' THY 11 -4.03 5.228 16.919 1.00 0.00 A
-ATOM 339 H1' THY 11 -5.08 5.439 16.719 1.00 0.00 A
-ATOM 340 N1 THY 11 -3.239 6.466 16.744 1.00 0.00 A
-ATOM 341 C6 THY 11 -1.881 6.47 16.918 1.00 0.00 A
-ATOM 342 H6 THY 11 -1.372 5.54 17.168 1.00 0.00 A
-ATOM 343 C2 THY 11 -3.928 7.616 16.41 1.00 0.00 A
-ATOM 344 O2 THY 11 -5.147 7.627 16.255 1.00 0.00 A
-ATOM 345 N3 THY 11 -3.167 8.76 16.267 1.00 0.00 A
-ATOM 346 H3 THY 11 -3.656 9.597 16.002 1.00 0.00 A
-ATOM 347 C4 THY 11 -1.796 8.854 16.43 1.00 0.00 A
-ATOM 348 O4 THY 11 -1.22 9.932 16.292 1.00 0.00 A
-ATOM 349 C5 THY 11 -1.161 7.602 16.776 1.00 0.00 A
-ATOM 350 C5M THY 11 0.348 7.56 16.99 1.00 0.00 A
-ATOM 351 H51 THY 11 0.804 8.445 16.55 1.00 0.00 A
-ATOM 352 H52 THY 11 0.757 6.667 16.526 1.00 0.00 A
-ATOM 353 H53 THY 11 0.561 7.538 18.049 1.00 0.00 A
-ATOM 354 C2' THY 11 -3.564 4.136 15.992 1.00 0.00 A
-ATOM 355 H2'' THY 11 -4.165 4.148 15.075 1.00 0.00 A
-ATOM 356 O2' THY 11 -4.394 4.212 14.841 1.00 0.00 A
-ATOM 357 H2' THY 11 -2.495 4.258 15.779 1.00 0.00 A
-ATOM 358 C3' THY 11 -3.793 2.852 16.729 1.00 0.00 A
-ATOM 359 H3' THY 11 -2.953 2.176 16.559 1.00 0.00 A
-ATOM 360 O3' THY 11 -5.015 2.233 16.322 1.00 0.00 A
-ATOM 361 P ADE 12 -5.221 1.752 14.807 1.00 0.00 A
-ATOM 362 O1P ADE 12 -6.125 0.574 14.792 1.00 0.00 A
-ATOM 363 O2P ADE 12 -3.895 1.663 14.146 1.00 0.00 A
-ATOM 364 O5' ADE 12 -6.01 3.023 14.225 1.00 0.00 A
-ATOM 365 C5' ADE 12 -7.077 3.615 14.98 1.00 0.00 A
-ATOM 366 H5' ADE 12 -6.67 4.1 15.857 1.00 0.00 A
-ATOM 367 H5'' ADE 12 -7.769 2.818 15.287 1.00 0.00 A
-ATOM 368 C4' ADE 12 -7.824 4.68 14.194 1.00 0.00 A
-ATOM 369 H4' ADE 12 -8.83 4.786 14.598 1.00 0.00 A
-ATOM 370 O4' ADE 12 -7.144 5.958 14.28 1.00 0.00 A
-ATOM 371 C1' ADE 12 -6.79 6.408 12.952 1.00 0.00 A
-ATOM 372 H1' ADE 12 -7.49 7.183 12.639 1.00 0.00 A
-ATOM 373 N9 ADE 12 -5.417 6.949 12.917 1.00 0.00 A
-ATOM 374 C5 ADE 12 -3.693 8.321 12.83 1.00 0.00 A
-ATOM 375 N7 ADE 12 -3.157 7.043 13.02 1.00 0.00 A
-ATOM 376 C8 ADE 12 -4.226 6.316 13.057 1.00 0.00 A
-ATOM 377 H8 ADE 12 -4.171 5.237 13.186 1.00 0.00 A
-ATOM 378 N1 ADE 12 -3.941 10.629 12.522 1.00 0.00 A
-ATOM 379 C2 ADE 12 -5.257 10.448 12.476 1.00 0.00 A
-ATOM 380 H2 ADE 12 -5.861 11.34 12.337 1.00 0.00 A
-ATOM 381 N3 ADE 12 -5.913 9.3 12.587 1.00 0.00 A
-ATOM 382 C4 ADE 12 -5.067 8.268 12.764 1.00 0.00 A
-ATOM 383 C6 ADE 12 -3.111 9.589 12.699 1.00 0.00 A
-ATOM 384 N6 ADE 12 -1.795 9.805 12.753 1.00 0.00 A
-ATOM 385 H61 ADE 12 -1.162 9.032 12.894 1.00 0.00 A
-ATOM 386 H62 ADE 12 -1.429 10.745 12.648 1.00 0.00 A
-ATOM 387 C2' ADE 12 -6.935 5.215 12.045 1.00 0.00 A
-ATOM 388 H2'' ADE 12 -7.341 5.533 11.081 1.00 0.00 A
-ATOM 389 O2' ADE 12 -7.468 5.708 10.823 1.00 0.00 A
-ATOM 390 H2' ADE 12 -5.967 4.711 11.933 1.00 0.00 A
-ATOM 391 C3' ADE 12 -7.909 4.308 12.721 1.00 0.00 A
-ATOM 392 H3' ADE 12 -7.606 3.268 12.582 1.00 0.00 A
-ATOM 393 O3' ADE 12 -9.231 4.514 12.212 1.00 0.00 A
-ATOM 394 P GUA 13 -9.569 4.219 10.669 1.00 0.00 A
-ATOM 395 O1P GUA 13 -10.964 3.722 10.568 1.00 0.00 A
-ATOM 396 O2P GUA 13 -8.467 3.416 10.078 1.00 0.00 A
-ATOM 397 O5' GUA 13 -9.502 5.712 10.074 1.00 0.00 A
-ATOM 398 C5' GUA 13 -10.262 6.771 10.674 1.00 0.00 A
-ATOM 399 H5' GUA 13 -9.915 6.931 11.687 1.00 0.00 A
-ATOM 400 H5'' GUA 13 -11.321 6.472 10.69 1.00 0.00 A
-ATOM 401 C4' GUA 13 -10.106 8.098 9.939 1.00 0.00 A
-ATOM 402 H4' GUA 13 -10.856 8.8 10.304 1.00 0.00 A
-ATOM 403 O4' GUA 13 -8.786 8.662 10.158 1.00 0.00 A
-ATOM 404 C1' GUA 13 -8.107 8.815 8.888 1.00 0.00 A
-ATOM 405 H1' GUA 13 -8.123 9.865 8.595 1.00 0.00 A
-ATOM 406 N9 GUA 13 -6.709 8.354 8.973 1.00 0.00 A
-ATOM 407 C4 GUA 13 -5.588 9.146 8.985 1.00 0.00 A
-ATOM 408 N2 GUA 13 -4.124 12.296 8.784 1.00 0.00 A
-ATOM 409 H21 GUA 13 -3.184 12.667 8.819 1.00 0.00 A
-ATOM 410 H22 GUA 13 -4.906 12.918 8.649 1.00 0.00 A
-ATOM 411 N3 GUA 13 -5.57 10.492 8.868 1.00 0.00 A
-ATOM 412 C2 GUA 13 -4.33 10.984 8.915 1.00 0.00 A
-ATOM 413 N1 GUA 13 -3.206 10.202 9.073 1.00 0.00 A
-ATOM 414 H1 GUA 13 -2.315 10.646 9.124 1.00 0.00 A
-ATOM 415 C6 GUA 13 -3.197 8.821 9.193 1.00 0.00 A
-ATOM 416 O6 GUA 13 -2.131 8.221 9.329 1.00 0.00 A
-ATOM 417 C5 GUA 13 -4.509 8.289 9.14 1.00 0.00 A
-ATOM 418 N7 GUA 13 -4.941 6.963 9.22 1.00 0.00 A
-ATOM 419 C8 GUA 13 -6.219 7.099 9.112 1.00 0.00 A
-ATOM 420 H8 GUA 13 -6.878 6.234 9.115 1.00 0.00 A
-ATOM 421 C2' GUA 13 -8.891 8.009 7.886 1.00 0.00 A
-ATOM 422 H2'' GUA 13 -8.913 8.529 6.925 1.00 0.00 A
-ATOM 423 O2' GUA 13 -8.878 8.756 6.677 1.00 0.00 A
-ATOM 424 H2' GUA 13 -8.46 7.004 7.796 1.00 0.00 A
-ATOM 425 C3' GUA 13 -10.275 7.918 8.438 1.00 0.00 A
-ATOM 426 H3' GUA 13 -10.699 6.935 8.226 1.00 0.00 A
-ATOM 427 O3' GUA 13 -11.101 8.949 7.886 1.00 0.00 A
-ATOM 428 P GUA 14 -11.39 9.003 6.307 1.00 0.00 A
-ATOM 429 O1P GUA 14 -12.822 9.326 6.088 1.00 0.00 A
-ATOM 430 O2P GUA 14 -10.812 7.792 5.669 1.00 0.00 A
-ATOM 431 O5' GUA 14 -10.498 10.281 5.903 1.00 0.00 A
-ATOM 432 C5' GUA 14 -10.655 11.527 6.598 1.00 0.00 A
-ATOM 433 H5' GUA 14 -10.451 11.38 7.649 1.00 0.00 A
-ATOM 434 H5'' GUA 14 -11.694 11.866 6.469 1.00 0.00 A
-ATOM 435 C4' GUA 14 -9.695 12.606 6.108 1.00 0.00 A
-ATOM 436 H4' GUA 14 -10.002 13.566 6.522 1.00 0.00 A
-ATOM 437 O4' GUA 14 -8.331 12.331 6.524 1.00 0.00 A
-ATOM 438 C1' GUA 14 -7.466 12.306 5.364 1.00 0.00 A
-ATOM 439 H1' GUA 14 -6.929 13.252 5.293 1.00 0.00 A
-ATOM 440 N9 GUA 14 -6.496 11.197 5.439 1.00 0.00 A
-ATOM 441 C4 GUA 14 -5.13 11.309 5.503 1.00 0.00 A
-ATOM 442 N2 GUA 14 -2.272 13.284 5.569 1.00 0.00 A
-ATOM 443 H21 GUA 14 -1.276 13.122 5.619 1.00 0.00 A
-ATOM 444 H22 GUA 14 -2.629 14.227 5.521 1.00 0.00 A
-ATOM 445 N3 GUA 14 -4.431 12.464 5.499 1.00 0.00 A
-ATOM 446 C2 GUA 14 -3.115 12.253 5.569 1.00 0.00 A
-ATOM 447 N1 GUA 14 -2.546 11 5.639 1.00 0.00 A
-ATOM 448 H1 GUA 14 -1.553 10.927 5.697 1.00 0.00 A
-ATOM 449 C6 GUA 14 -3.243 9.8 5.643 1.00 0.00 A
-ATOM 450 O6 GUA 14 -2.637 8.733 5.71 1.00 0.00 A
-ATOM 451 C5 GUA 14 -4.64 10.014 5.568 1.00 0.00 A
-ATOM 452 N7 GUA 14 -5.685 9.089 5.544 1.00 0.00 A
-ATOM 453 C8 GUA 14 -6.712 9.862 5.468 1.00 0.00 A
-ATOM 454 H8 GUA 14 -7.718 9.456 5.407 1.00 0.00 A
-ATOM 455 C2' GUA 14 -8.37 12.156 4.168 1.00 0.00 A
-ATOM 456 H2'' GUA 14 -7.981 12.746 3.333 1.00 0.00 A
-ATOM 457 O2' GUA 14 -7.8 12.955 3.14 1.00 0.00 A
-ATOM 458 H2' GUA 14 -8.468 11.095 3.906 1.00 0.00 A
-ATOM 459 C3' GUA 14 -9.699 12.699 4.588 1.00 0.00 A
-ATOM 460 H3' GUA 14 -10.498 12.075 4.18 1.00 0.00 A
-ATOM 461 O3' GUA 14 -9.858 14.054 4.155 1.00 0.00 A
-ATOM 462 P ADE 15 -9.872 14.418 2.591 1.00 0.00 A
-ATOM 463 O1P ADE 15 -10.717 15.621 2.385 1.00 0.00 A
-ATOM 464 O2P ADE 15 -10.159 13.187 1.811 1.00 0.00 A
-ATOM 465 O5' ADE 15 -8.329 14.822 2.384 1.00 0.00 A
-ATOM 466 C5' ADE 15 -7.757 15.905 3.132 1.00 0.00 A
-ATOM 467 H5' ADE 15 -7.679 15.62 4.173 1.00 0.00 A
-ATOM 468 H5'' ADE 15 -8.419 16.778 3.038 1.00 0.00 A
-ATOM 469 C4' ADE 15 -6.352 16.267 2.666 1.00 0.00 A
-ATOM 470 H4' ADE 15 -6.074 17.231 3.09 1.00 0.00 A
-ATOM 471 O4' ADE 15 -5.384 15.271 3.088 1.00 0.00 A
-ATOM 472 C1' ADE 15 -4.683 14.758 1.931 1.00 0.00 A
-ATOM 473 H1' ADE 15 -3.701 15.229 1.864 1.00 0.00 A
-ATOM 474 N9 ADE 15 -4.519 13.297 2.002 1.00 0.00 A
-ATOM 475 C5 ADE 15 -3.661 11.277 2.155 1.00 0.00 A
-ATOM 476 N7 ADE 15 -5.037 11.096 2.004 1.00 0.00 A
-ATOM 477 C8 ADE 15 -5.449 12.315 1.922 1.00 0.00 A
-ATOM 478 H8 ADE 15 -6.501 12.547 1.781 1.00 0.00 A
-ATOM 479 N1 ADE 15 -1.372 10.906 2.425 1.00 0.00 A
-ATOM 480 C2 ADE 15 -1.189 12.224 2.412 1.00 0.00 A
-ATOM 481 H2 ADE 15 -0.165 12.572 2.528 1.00 0.00 A
-ATOM 482 N3 ADE 15 -2.117 13.16 2.28 1.00 0.00 A
-ATOM 483 C4 ADE 15 -3.341 12.615 2.156 1.00 0.00 A
-ATOM 484 C6 ADE 15 -2.6 10.384 2.299 1.00 0.00 A
-ATOM 485 N6 ADE 15 -2.755 9.059 2.312 1.00 0.00 A
-ATOM 486 H61 ADE 15 -1.949 8.456 2.417 1.00 0.00 A
-ATOM 487 H62 ADE 15 -3.677 8.658 2.219 1.00 0.00 A
-ATOM 488 C2' ADE 15 -5.504 15.149 0.731 1.00 0.00 A
-ATOM 489 H2'' ADE 15 -4.844 15.409 -0.102 1.00 0.00 A
-ATOM 490 O2' ADE 15 -4.576 15.478 -0.294 1.00 0.00 A
-ATOM 491 H2' ADE 15 -6.19 14.335 0.468 1.00 0.00 A
-ATOM 492 C3' ADE 15 -6.283 16.352 1.147 1.00 0.00 A
-ATOM 493 H3' ADE 15 -7.289 16.303 0.726 1.00 0.00 A
-ATOM 494 O3' ADE 15 -5.624 17.548 0.722 1.00 0.00 A
-ATOM 495 P THY 16 -5.398 17.836 -0.841 1.00 0.00 A
-ATOM 496 O1P THY 16 -5.436 19.302 -1.072 1.00 0.00 A
-ATOM 497 O2P THY 16 -6.293 16.951 -1.628 1.00 0.00 A
-ATOM 498 O5' THY 16 -3.882 17.322 -1.001 1.00 0.00 A
-ATOM 499 C5' THY 16 -2.838 17.907 -0.211 1.00 0.00 A
-ATOM 500 H5' THY 16 -2.999 17.667 0.83 1.00 0.00 A
-ATOM 501 H5'' THY 16 -2.874 18.998 -0.347 1.00 0.00 A
-ATOM 502 C4' THY 16 -1.452 17.388 -0.574 1.00 0.00 A
-ATOM 503 H4' THY 16 -0.705 17.995 -0.065 1.00 0.00 A
-ATOM 504 O4' THY 16 -1.281 16.003 -0.17 1.00 0.00 A
-ATOM 505 C1' THY 16 -0.834 15.221 -1.3 1.00 0.00 A
-ATOM 506 H1' THY 16 0.246 15.085 -1.238 1.00 0.00 A
-ATOM 507 N1 THY 16 -1.493 13.897 -1.332 1.00 0.00 A
-ATOM 508 C6 THY 16 -2.847 13.782 -1.508 1.00 0.00 A
-ATOM 509 H6 THY 16 -3.452 14.681 -1.599 1.00 0.00 A
-ATOM 510 C2 THY 16 -0.686 12.781 -1.194 1.00 0.00 A
-ATOM 511 O2 THY 16 0.53 12.869 -1.037 1.00 0.00 A
-ATOM 512 N3 THY 16 -1.328 11.558 -1.246 1.00 0.00 A
-ATOM 513 H3 THY 16 -0.76 10.742 -1.134 1.00 0.00 A
-ATOM 514 C4 THY 16 -2.685 11.356 -1.424 1.00 0.00 A
-ATOM 515 O4 THY 16 -3.15 10.219 -1.466 1.00 0.00 A
-ATOM 516 C5 THY 16 -3.447 12.577 -1.557 1.00 0.00 A
-ATOM 517 C5M THY 16 -4.957 12.501 -1.76 1.00 0.00 A
-ATOM 518 H51 THY 16 -5.422 13.407 -1.376 1.00 0.00 A
-ATOM 519 H52 THY 16 -5.352 11.634 -1.237 1.00 0.00 A
-ATOM 520 H53 THY 16 -5.176 12.408 -2.814 1.00 0.00 A
-ATOM 521 C2' THY 16 -1.16 16.036 -2.531 1.00 0.00 A
-ATOM 522 H2'' THY 16 -0.365 15.912 -3.277 1.00 0.00 A
-ATOM 523 O2' THY 16 -0.085 15.83 -3.438 1.00 0.00 A
-ATOM 524 H2' THY 16 -2.137 15.741 -2.93 1.00 0.00 A
-ATOM 525 C3' THY 16 -1.207 17.463 -2.076 1.00 0.00 A
-ATOM 526 H3' THY 16 -2.043 17.975 -2.561 1.00 0.00 A
-ATOM 527 O3' THY 16 0.021 18.138 -2.365 1.00 0.00 A
+ATOM 1 P ADE 1 3.759 0.457 0.076 1.00 0.0 A
+ATOM 2 O1P ADE 1 2.779 0.279 0.171 1.00 0.0 A
+ATOM 3 O2P ADE 1 4.489 -0.205 0.246 1.00 0.0 A
+ATOM 4 O5' ADE 1 3.969 1.972 -0.393 1.00 0.0 A
+ATOM 5 C5' ADE 1 5.044 2.279 -1.29 1.00 0.0 A
+ATOM 6 H5' ADE 1 4.671 2.29 -2.305 1.00 0.0 A
+ATOM 7 H5'' ADE 1 5.816 1.501 -1.189 1.00 0.0 A
+ATOM 8 C4' ADE 1 5.648 3.651 -1.028 1.00 0.0 A
+ATOM 9 H4' ADE 1 6.646 3.694 -1.462 1.00 0.0 A
+ATOM 10 O4' ADE 1 4.831 4.694 -1.619 1.00 0.0 A
+ATOM 11 C1' ADE 1 4.388 5.605 -0.589 1.00 0.0 A
+ATOM 12 H1' ADE 1 4.979 6.519 -0.638 1.00 0.0 A
+ATOM 13 N9 ADE 1 2.96 5.94 -0.745 1.00 0.0 A
+ATOM 14 C5 ADE 1 1.063 7.037 -0.974 1.00 0.0 A
+ATOM 15 N7 ADE 1 0.73 5.679 -1.026 1.00 0.0 A
+ATOM 16 C8 ADE 1 1.887 5.123 -0.884 1.00 0.0 A
+ATOM 17 H8 ADE 1 1.997 4.038 -0.875 1.00 0.0 A
+ATOM 18 N1 ADE 1 0.95 9.38 -0.971 1.00 0.0 A
+ATOM 19 C2 ADE 1 2.273 9.407 -0.803 1.00 0.0 A
+ATOM 20 H2 ADE 1 2.731 10.392 -0.73 1.00 0.0 A
+ATOM 21 N3 ADE 1 3.091 8.365 -0.708 1.00 0.0 A
+ATOM 22 C4 ADE 1 2.417 7.202 -0.802 1.00 0.0 A
+ATOM 23 C6 ADE 1 0.298 8.207 -1.063 1.00 0.0 A
+ATOM 24 N6 ADE 1 -1.022 8.204 -1.236 1.00 0.0 A
+ATOM 25 H61 ADE 1 -1.526 9.077 -1.294 1.00 0.0 A
+ATOM 26 H62 ADE 1 -1.52 7.328 -1.309 1.00 0.0 A
+ATOM 27 C2' ADE 1 4.646 4.918 0.727 1.00 0.0 A
+ATOM 28 H2'' ADE 1 4.989 5.649 1.459 1.00 0.0 A
+ATOM 29 O2' ADE 1 5.086 5.931 1.621 1.00 0.0 A
+ATOM 30 H2' ADE 1 3.741 4.398 1.062 1.00 0.0 A
+ATOM 31 C3' ADE 1 5.735 3.93 0.467 1.00 0.0 A
+ATOM 32 H3' ADE 1 5.546 3.013 1.029 1.00 0.0 A
+ATOM 33 O3' ADE 1 7.011 4.478 0.823 1.00 0.0 A
+ATOM 34 P THY 2 7.364 4.806 2.358 1.00 0.0 A
+ATOM 35 O1P THY 2 8.839 4.776 2.53 1.00 0.0 A
+ATOM 36 O2P THY 2 6.515 3.962 3.238 1.00 0.0 A
+ATOM 37 O5' THY 2 6.861 6.33 2.454 1.00 0.0 A
+ATOM 38 C5' THY 2 7.276 7.297 1.48 1.00 0.0 A
+ATOM 39 H5' THY 2 6.804 7.074 0.532 1.00 0.0 A
+ATOM 40 H5'' THY 2 8.368 7.233 1.371 1.00 0.0 A
+ATOM 41 C4' THY 2 6.873 8.719 1.849 1.00 0.0 A
+ATOM 42 H4' THY 2 7.506 9.419 1.306 1.00 0.0 A
+ATOM 43 O4' THY 2 5.486 8.978 1.507 1.00 0.0 A
+ATOM 44 C1' THY 2 4.768 9.415 2.684 1.00 0.0 A
+ATOM 45 H1' THY 2 4.665 10.5 2.653 1.00 0.0 A
+ATOM 46 N1 THY 2 3.423 8.799 2.747 1.00 0.0 A
+ATOM 47 C6 THY 2 3.266 7.442 2.852 1.00 0.0 A
+ATOM 48 H6 THY 2 4.14 6.814 2.982 1.00 0.0 A
+ATOM 49 C2 THY 2 2.337 9.639 2.626 1.00 0.0 A
+ATOM 50 O2 THY 2 2.458 10.86 2.552 1.00 0.0 A
+ATOM 51 N3 THY 2 1.099 9.029 2.606 1.00 0.0 A
+ATOM 52 H3 THY 2 0.308 9.625 2.509 1.00 0.0 A
+ATOM 53 C4 THY 2 0.851 7.673 2.697 1.00 0.0 A
+ATOM 54 O4 THY 2 -0.302 7.243 2.661 1.00 0.0 A
+ATOM 55 C5 THY 2 2.045 6.871 2.827 1.00 0.0 A
+ATOM 56 C5M THY 2 1.928 5.354 2.91 1.00 0.0 A
+ATOM 57 H51 THY 2 1.213 5.085 3.678 1.00 0.0 A
+ATOM 58 H52 THY 2 2.903 4.926 3.15 1.00 0.0 A
+ATOM 59 H53 THY 2 1.589 4.964 1.96 1.00 0.0 A
+ATOM 60 C2' THY 2 5.626 9.038 3.865 1.00 0.0 A
+ATOM 61 H2'' THY 2 5.564 9.815 4.63 1.00 0.0 A
+ATOM 62 O2' THY 2 5.49 10.094 4.806 1.00 0.0 A
+ATOM 63 H2' THY 2 5.324 8.059 4.256 1.00 0.0 A
+ATOM 64 C3' THY 2 7.025 8.967 3.345 1.00 0.0 A
+ATOM 65 H3' THY 2 7.553 8.132 3.808 1.00 0.0 A
+ATOM 66 O3' THY 2 7.719 10.196 3.596 1.00 0.0 A
+ATOM 67 P CYT 3 7.98 10.697 5.1 1.00 0.0 A
+ATOM 68 O1P CYT 3 9.28 11.413 5.15 1.00 0.0 A
+ATOM 69 O2P CYT 3 7.737 9.569 6.034 1.00 0.0 A
+ATOM 70 O5' CYT 3 6.789 11.768 5.253 1.00 0.0 A
+ATOM 71 C5' CYT 3 6.72 12.904 4.38 1.00 0.0 A
+ATOM 72 H5' CYT 3 6.534 12.568 3.369 1.00 0.0 A
+ATOM 73 H5'' CYT 3 7.686 13.43 4.42 1.00 0.0 A
+ATOM 74 C4' CYT 3 5.593 13.866 4.739 1.00 0.0 A
+ATOM 75 H4' CYT 3 5.709 14.779 4.157 1.00 0.0 A
+ATOM 76 O4' CYT 3 4.292 13.29 4.45 1.00 0.0 A
+ATOM 77 C1' CYT 3 3.465 13.339 5.637 1.00 0.0 A
+ATOM 78 H1' CYT 3 2.791 14.192 5.565 1.00 0.0 A
+ATOM 79 N1 CYT 3 2.672 12.098 5.79 1.00 0.0 A
+ATOM 80 C6 CYT 3 3.282 10.889 5.955 1.00 0.0 A
+ATOM 81 H6 CYT 3 4.365 10.84 6.032 1.00 0.0 A
+ATOM 82 C5 CYT 3 2.559 9.76 6.045 1.00 0.0 A
+ATOM 83 H5 CYT 3 3.039 8.789 6.164 1.00 0.0 A
+ATOM 84 C2 CYT 3 1.294 12.207 5.721 1.00 0.0 A
+ATOM 85 O2 CYT 3 0.763 13.308 5.588 1.00 0.0 A
+ATOM 86 N3 CYT 3 0.558 11.072 5.813 1.00 0.0 A
+ATOM 87 C4 CYT 3 1.14 9.878 5.968 1.00 0.0 A
+ATOM 88 N4 CYT 3 0.379 8.788 6.044 1.00 0.0 A
+ATOM 89 H41 CYT 3 0.806 7.88 6.157 1.00 0.0 A
+ATOM 90 H42 CYT 3 -0.626 8.869 5.991 1.00 0.0 A
+ATOM 91 C2' CYT 3 4.407 13.552 6.796 1.00 0.0 A
+ATOM 92 H2'' CYT 3 3.94 14.214 7.534 1.00 0.0 A
+ATOM 93 O2' CYT 3 3.733 14.417 7.7 1.00 0.0 A
+ATOM 94 H2' CYT 3 4.689 12.59 7.236 1.00 0.0 A
+ATOM 95 C3' CYT 3 5.616 14.221 6.221 1.00 0.0 A
+ATOM 96 H3' CYT 3 6.518 13.815 6.685 1.00 0.0 A
+ATOM 97 O3' CYT 3 5.555 15.639 6.408 1.00 0.0 A
+ATOM 98 P CYT 4 5.538 16.275 7.882 1.00 0.0 A
+ATOM 99 O1P CYT 4 6.177 17.615 7.835 1.00 0.0 A
+ATOM 100 O2P CYT 4 6.033 15.266 8.851 1.00 0.0 A
+ATOM 101 O5' CYT 4 3.955 16.462 8.083 1.00 0.0 A
+ATOM 102 C5' CYT 4 3.157 17.011 7.025 1.00 0.0 A
+ATOM 103 H5' CYT 4 3.112 16.305 6.208 1.00 0.0 A
+ATOM 104 H5'' CYT 4 3.632 17.942 6.682 1.00 0.0 A
+ATOM 105 C4' CYT 4 1.722 17.289 7.449 1.00 0.0 A
+ATOM 106 H4' CYT 4 1.321 18.095 6.835 1.00 0.0 A
+ATOM 107 O4' CYT 4 0.888 16.113 7.28 1.00 0.0 A
+ATOM 108 C1' CYT 4 0.232 15.803 8.531 1.00 0.0 A
+ATOM 109 H1' CYT 4 -0.791 16.175 8.498 1.00 0.0 A
+ATOM 110 N1 CYT 4 0.215 14.343 8.782 1.00 0.0 A
+ATOM 111 C6 CYT 4 1.375 13.644 8.967 1.00 0.0 A
+ATOM 112 H6 CYT 4 2.327 14.165 8.951 1.00 0.0 A
+ATOM 113 C5 CYT 4 1.351 12.313 9.169 1.00 0.0 A
+ATOM 114 H5 CYT 4 2.272 11.748 9.314 1.00 0.0 A
+ATOM 115 C2 CYT 4 -1.018 13.712 8.8 1.00 0.0 A
+ATOM 116 O2 CYT 4 -2.05 14.359 8.636 1.00 0.0 A
+ATOM 117 N3 CYT 4 -1.049 12.37 9.003 1.00 0.0 A
+ATOM 118 C4 CYT 4 0.078 11.668 9.183 1.00 0.0 A
+ATOM 119 N4 CYT 4 0.01 10.348 9.372 1.00 0.0 A
+ATOM 120 H41 CYT 4 0.855 9.814 9.502 1.00 0.0 A
+ATOM 121 H42 CYT 4 -0.885 9.881 9.386 1.00 0.0 A
+ATOM 122 C2' CYT 4 0.992 16.545 9.602 1.00 0.0 A
+ATOM 123 H2'' CYT 4 0.293 16.923 10.35 1.00 0.0 A
+ATOM 124 O2' CYT 4 0.02 17 10.533 1.00 0.0 A
+ATOM 125 H2' CYT 4 1.751 15.896 10.049 1.00 0.0 A
+ATOM 126 C3' CYT 4 1.648 17.697 8.914 1.00 0.0 A
+ATOM 127 H3' CYT 4 2.656 17.837 9.31 1.00 0.0 A
+ATOM 128 O3' CYT 4 0.881 18.892 9.085 1.00 0.0 A
+ATOM 129 P THY 5 0.647 19.496 10.554 1.00 0.0 A
+ATOM 130 O1P THY 5 0.561 20.975 10.457 1.00 0.0 A
+ATOM 131 O2P THY 5 1.626 18.884 11.487 1.00 0.0 A
+ATOM 132 O5' THY 5 -0.815 18.907 10.868 1.00 0.0 A
+ATOM 133 C5' THY 5 -1.928 19.273 10.041 1.00 0.0 A
+ATOM 134 H5' THY 5 -1.694 19.051 9.009 1.00 0.0 A
+ATOM 135 H5'' THY 5 -2.101 20.352 10.155 1.00 0.0 A
+ATOM 136 C4' THY 5 -3.2 18.507 10.381 1.00 0.0 A
+ATOM 137 H4' THY 5 -3.974 18.774 9.662 1.00 0.0 A
+ATOM 138 O4' THY 5 -2.989 17.071 10.326 1.00 0.0 A
+ATOM 139 C1' THY 5 -3.41 16.473 11.574 1.00 0.0 A
+ATOM 140 H1' THY 5 -4.409 16.057 11.449 1.00 0.0 A
+ATOM 141 N1 THY 5 -2.482 15.396 11.992 1.00 0.0 A
+ATOM 142 C6 THY 5 -1.153 15.644 12.196 1.00 0.0 A
+ATOM 143 H6 THY 5 -0.79 16.668 12.147 1.00 0.0 A
+ATOM 144 C2 THY 5 -3 14.117 12.096 1.00 0.0 A
+ATOM 145 O2 THY 5 -4.196 13.881 11.943 1.00 0.0 A
+ATOM 146 N3 THY 5 -2.094 13.117 12.403 1.00 0.0 A
+ATOM 147 H3 THY 5 -2.449 12.182 12.472 1.00 0.0 A
+ATOM 148 C4 THY 5 -0.742 13.28 12.614 1.00 0.0 A
+ATOM 149 O4 THY 5 -0.032 12.308 12.873 1.00 0.0 A
+ATOM 150 C5 THY 5 -0.289 14.648 12.492 1.00 0.0 A
+ATOM 151 C5M THY 5 1.191 14.967 12.669 1.00 0.0 A
+ATOM 152 H51 THY 5 1.55 14.53 13.594 1.00 0.0 A
+ATOM 153 H52 THY 5 1.333 16.047 12.693 1.00 0.0 A
+ATOM 154 H53 THY 5 1.751 14.549 11.843 1.00 0.0 A
+ATOM 155 C2' THY 5 -3.465 17.594 12.579 1.00 0.0 A
+ATOM 156 H2'' THY 5 -4.306 17.435 13.264 1.00 0.0 A
+ATOM 157 O2' THY 5 -4.58 17.322 13.417 1.00 0.0 A
+ATOM 158 H2' THY 5 -2.511 17.661 13.116 1.00 0.0 A
+ATOM 159 C3' THY 5 -3.691 18.844 11.781 1.00 0.0 A
+ATOM 160 H3' THY 5 -3.096 19.66 12.197 1.00 0.0 A
+ATOM 161 O3' THY 5 -5.077 19.199 11.761 1.00 0.0 A
+ATOM 162 P ADE 6 -5.692 20.169 12.882 1.00 0.0 A
+ATOM 163 O1P ADE 6 -6.683 21.072 12.244 1.00 0.0 A
+ATOM 164 O2P ADE 6 -4.583 20.752 13.678 1.00 0.0 A
+ATOM 165 O5' ADE 6 -6.471 19.094 13.785 1.00 0.0 A
+ATOM 166 C5' ADE 6 -7.541 18.319 13.232 1.00 0.0 A
+ATOM 167 H5' ADE 6 -7.211 17.85 12.315 1.00 0.0 A
+ATOM 168 H5'' ADE 6 -8.386 18.991 13.021 1.00 0.0 A
+ATOM 169 C4' ADE 6 -7.985 17.203 14.162 1.00 0.0 A
+ATOM 170 H4' ADE 6 -8.974 16.858 13.863 1.00 0.0 A
+ATOM 171 O4' ADE 6 -7.06 16.084 14.109 1.00 0.0 A
+ATOM 172 C1' ADE 6 -6.626 15.77 15.448 1.00 0.0 A
+ATOM 173 H1' ADE 6 -7.241 14.954 15.831 1.00 0.0 A
+ATOM 174 N9 ADE 6 -5.206 15.361 15.499 1.00 0.0 A
+ATOM 175 C5 ADE 6 -3.38 14.152 15.741 1.00 0.0 A
+ATOM 176 N7 ADE 6 -2.949 15.48 15.662 1.00 0.0 A
+ATOM 177 C8 ADE 6 -4.07 16.107 15.522 1.00 0.0 A
+ATOM 178 H8 ADE 6 -4.1 17.19 15.422 1.00 0.0 A
+ATOM 179 N1 ADE 6 -3.441 11.818 15.931 1.00 0.0 A
+ATOM 180 C2 ADE 6 -4.769 11.882 15.816 1.00 0.0 A
+ATOM 181 H2 ADE 6 -5.306 10.937 15.837 1.00 0.0 A
+ATOM 182 N3 ADE 6 -5.509 12.969 15.668 1.00 0.0 A
+ATOM 183 C4 ADE 6 -4.749 14.077 15.638 1.00 0.0 A
+ATOM 184 C6 ADE 6 -2.701 12.939 15.9 1.00 0.0 A
+ATOM 185 N6 ADE 6 -1.379 12.855 16.045 1.00 0.0 A
+ATOM 186 H61 ADE 6 -0.941 11.951 16.157 1.00 0.0 A
+ATOM 187 H62 ADE 6 -0.816 13.693 16.045 1.00 0.0 A
+ATOM 188 C2' ADE 6 -6.89 17.001 16.274 1.00 0.0 A
+ATOM 189 H2'' ADE 6 -7.162 16.715 17.291 1.00 0.0 A
+ATOM 190 O2' ADE 6 -7.256 16.544 17.569 1.00 0.0 A
+ATOM 191 H2' ADE 6 -6.014 17.659 16.261 1.00 0.0 A
+ATOM 192 C3' ADE 6 -8.041 17.687 15.608 1.00 0.0 A
+ATOM 193 H3' ADE 6 -7.903 18.77 15.646 1.00 0.0 A
+ATOM 194 O3' ADE 6 -9.285 17.318 16.221 1.00 0.0 A
+ATOM 195 P GUA 7 -9.843 18.105 17.507 1.00 0.0 A
+ATOM 196 O1P GUA 7 -11.229 18.561 17.226 1.00 0.0 A
+ATOM 197 O2P GUA 7 -8.828 19.1 17.939 1.00 0.0 A
+ATOM 198 O5' GUA 7 -9.897 16.91 18.585 1.00 0.0 A
+ATOM 199 C5' GUA 7 -10.177 15.56 18.181 1.00 0.0 A
+ATOM 200 H5' GUA 7 -9.745 15.381 17.207 1.00 0.0 A
+ATOM 201 H5'' GUA 7 -11.27 15.426 18.114 1.00 0.0 A
+ATOM 202 C4' GUA 7 -9.561 14.522 19.125 1.00 0.0 A
+ATOM 203 H4' GUA 7 -10.025 13.556 18.935 1.00 0.0 A
+ATOM 204 O4' GUA 7 -8.133 14.405 18.887 1.00 0.0 A
+ATOM 205 C1' GUA 7 -7.41 14.638 20.119 1.00 0.0 A
+ATOM 206 H1' GUA 7 -7.083 13.684 20.529 1.00 0.0 A
+ATOM 207 N9 GUA 7 -6.233 15.5 19.896 1.00 0.0 A
+ATOM 208 C4 GUA 7 -4.911 15.108 19.923 1.00 0.0 A
+ATOM 209 N2 GUA 7 -2.51 12.617 20.326 1.00 0.0 A
+ATOM 210 H21 GUA 7 -1.501 12.565 20.299 1.00 0.0 A
+ATOM 211 H22 GUA 7 -3.053 11.785 20.505 1.00 0.0 A
+ATOM 212 N3 GUA 7 -4.458 13.854 20.155 1.00 0.0 A
+ATOM 213 C2 GUA 7 -3.123 13.783 20.119 1.00 0.0 A
+ATOM 214 N1 GUA 7 -2.305 14.867 19.874 1.00 0.0 A
+ATOM 215 H1 GUA 7 -1.305 14.73 19.867 1.00 0.0 A
+ATOM 216 C6 GUA 7 -2.744 16.163 19.632 1.00 0.0 A
+ATOM 217 O6 GUA 7 -1.932 17.06 19.42 1.00 0.0 A
+ATOM 218 C5 GUA 7 -4.162 16.248 19.668 1.00 0.0 A
+ATOM 219 N7 GUA 7 -4.998 17.354 19.481 1.00 0.0 A
+ATOM 220 C8 GUA 7 -6.168 16.829 19.63 1.00 0.0 A
+ATOM 221 H8 GUA 7 -7.071 17.433 19.552 1.00 0.0 A
+ATOM 222 C2' GUA 7 -8.383 15.282 21.074 1.00 0.0 A
+ATOM 223 H2'' GUA 7 -8.214 14.899 22.086 1.00 0.0 A
+ATOM 224 O2' GUA 7 -8.103 14.731 22.354 1.00 0.0 A
+ATOM 225 H2' GUA 7 -8.286 16.373 21.035 1.00 0.0 A
+ATOM 226 C3' GUA 7 -9.744 14.878 20.608 1.00 0.0 A
+ATOM 227 H3' GUA 7 -10.429 15.719 20.727 1.00 0.0 A
+ATOM 228 O3' GUA 7 -10.214 13.747 21.352 1.00 0.0 A
+ATOM 229 P THY 8 -10.47 13.861 22.933 1.00 0.0 A
+ATOM 230 O1P THY 8 -11.662 13.049 23.287 1.00 0.0 A
+ATOM 231 O2P THY 8 -10.423 15.292 23.326 1.00 0.0 A
+ATOM 232 O5' THY 8 -9.152 13.125 23.489 1.00 0.0 A
+ATOM 233 C5' THY 8 -9.105 11.695 23.588 1.00 0.0 A
+ATOM 234 H5' THY 8 -9.468 11.262 22.666 1.00 0.0 A
+ATOM 235 H5'' THY 8 -9.754 11.381 24.418 1.00 0.0 A
+ATOM 236 C4' THY 8 -7.687 11.168 23.791 1.00 0.0 A
+ATOM 237 H4' THY 8 -7.609 10.181 23.338 1.00 0.0 A
+ATOM 238 O4' THY 8 -6.715 12.044 23.168 1.00 0.0 A
+ATOM 239 C1' THY 8 -5.719 12.435 24.137 1.00 0.0 A
+ATOM 240 H1' THY 8 -4.826 11.809 24 1.00 0.0 A
+ATOM 241 N1 THY 8 -5.347 13.86 23.988 1.00 0.0 A
+ATOM 242 C6 THY 8 -6.259 14.865 24.197 1.00 0.0 A
+ATOM 243 H6 THY 8 -7.285 14.614 24.463 1.00 0.0 A
+ATOM 244 C2 THY 8 -4.038 14.136 23.637 1.00 0.0 A
+ATOM 245 O2 THY 8 -3.212 13.247 23.443 1.00 0.0 A
+ATOM 246 N3 THY 8 -3.711 15.473 23.513 1.00 0.0 A
+ATOM 247 H3 THY 8 -2.758 15.688 23.257 1.00 0.0 A
+ATOM 248 C4 THY 8 -4.564 16.543 23.707 1.00 0.0 A
+ATOM 249 O4 THY 8 -4.163 17.697 23.57 1.00 0.0 A
+ATOM 250 C5 THY 8 -5.91 16.163 24.071 1.00 0.0 A
+ATOM 251 C5M THY 8 -6.952 17.25 24.322 1.00 0.0 A
+ATOM 252 H51 THY 8 -7.951 16.823 24.241 1.00 0.0 A
+ATOM 253 H52 THY 8 -6.834 18.044 23.584 1.00 0.0 A
+ATOM 254 H53 THY 8 -6.813 17.662 25.322 1.00 0.0 A
+ATOM 255 C2' THY 8 -6.324 12.155 25.493 1.00 0.0 A
+ATOM 256 H2'' THY 8 -5.551 11.817 26.188 1.00 0.0 A
+ATOM 257 O2' THY 8 -5.259 11.702 26.317 1.00 0.0 A
+ATOM 258 H2' THY 8 -6.834 13.05 25.864 1.00 0.0 A
+ATOM 259 C3' THY 8 -7.326 11.065 25.272 1.00 0.0 A
+ATOM 260 H3' THY 8 -8.207 11.245 25.89 1.00 0.0 A
+ATOM 261 O3' THY 8 -6.76 9.782 25.572 1.00 0.0 A
+ATOM 262 P THY 9 -6.511 9.33 27.094 1.00 0.0 A
+ATOM 263 O1P THY 9 -6.391 7.851 27.145 1.00 0.0 A
+ATOM 264 O2P THY 9 -7.505 10.007 27.965 1.00 0.0 A
+ATOM 265 O5' THY 9 -5.064 9.98 27.352 1.00 0.0 A
+ATOM 266 C5' THY 9 -3.88 9.385 26.799 1.00 0.0 A
+ATOM 267 H5' THY 9 -4.151 8.5 26.239 1.00 0.0 A
+ATOM 268 H5'' THY 9 -3.212 9.106 27.628 1.00 0.0 A
+ATOM 269 C4' THY 9 -3.16 10.317 25.831 1.00 0.0 A
+ATOM 270 H4' THY 9 -3.569 10.18 24.831 1.00 0.0 A
+ATOM 271 O4' THY 9 -3.322 11.705 26.223 1.00 0.0 A
+ATOM 272 C1' THY 9 -2.022 12.314 26.402 1.00 0.0 A
+ATOM 273 H1' THY 9 -1.789 12.931 25.535 1.00 0.0 A
+ATOM 274 N1 THY 9 -1.98 13.144 27.62 1.00 0.0 A
+ATOM 275 C6 THY 9 -2.301 12.617 28.841 1.00 0.0 A
+ATOM 276 H6 THY 9 -2.602 11.572 28.91 1.00 0.0 A
+ATOM 277 C2 THY 9 -1.594 14.462 27.479 1.00 0.0 A
+ATOM 278 O2 THY 9 -1.304 14.946 26.388 1.00 0.0 A
+ATOM 279 N3 THY 9 -1.55 15.208 28.642 1.00 0.0 A
+ATOM 280 H3 THY 9 -1.266 16.173 28.556 1.00 0.0 A
+ATOM 281 C4 THY 9 -1.856 14.754 29.913 1.00 0.0 A
+ATOM 282 O4 THY 9 -1.781 15.506 30.882 1.00 0.0 A
+ATOM 283 C5 THY 9 -2.25 13.364 29.961 1.00 0.0 A
+ATOM 284 C5M THY 9 -2.613 12.733 31.301 1.00 0.0 A
+ATOM 285 H51 THY 9 -3.44 13.282 31.75 1.00 0.0 A
+ATOM 286 H52 THY 9 -1.749 12.768 31.965 1.00 0.0 A
+ATOM 287 H53 THY 9 -2.907 11.695 31.144 1.00 0.0 A
+ATOM 288 C2' THY 9 -1.031 11.183 26.492 1.00 0.0 A
+ATOM 289 H2'' THY 9 -0.104 11.461 25.976 1.00 0.0 A
+ATOM 290 O2' THY 9 0.13 11.618 25.797 1.00 0.0 A
+ATOM 291 H2' THY 9 -0.85 10.929 27.544 1.00 0.0 A
+ATOM 292 C3' THY 9 -1.667 10.028 25.792 1.00 0.0 A
+ATOM 293 H3' THY 9 -1.452 9.104 26.331 1.00 0.0 A
+ATOM 294 O3' THY 9 -1.201 9.937 24.447 1.00 0.0 A
+ATOM 295 P ADE 10 -0.315 8.688 23.992 1.00 0.0 A
+ATOM 296 O1P ADE 10 0.551 8.277 25.125 1.00 0.0 A
+ATOM 297 O2P ADE 10 0.304 8.985 22.676 1.00 0.0 A
+ATOM 298 O5' ADE 10 -1.467 7.588 23.799 1.00 0.0 A
+ATOM 299 C5' ADE 10 -1.147 6.209 23.981 1.00 0.0 A
+ATOM 300 H5' ADE 10 -1.499 5.914 24.943 1.00 0.0 A
+ATOM 301 H5'' ADE 10 -0.058 6.091 23.938 1.00 0.0 A
+ATOM 302 C4' ADE 10 -1.836 5.303 22.968 1.00 0.0 A
+ATOM 303 H4' ADE 10 -2.067 4.345 23.431 1.00 0.0 A
+ATOM 304 O4' ADE 10 -3.058 5.912 22.482 1.00 0.0 A
+ATOM 305 C1' ADE 10 -2.814 6.401 21.156 1.00 0.0 A
+ATOM 306 H1' ADE 10 -3.405 5.82 20.462 1.00 0.0 A
+ATOM 307 N9 ADE 10 -3.245 7.804 21.056 1.00 0.0 A
+ATOM 308 C5 ADE 10 -4.488 9.625 21.105 1.00 0.0 A
+ATOM 309 N7 ADE 10 -3.166 10.059 21.189 1.00 0.0 A
+ATOM 310 C8 ADE 10 -2.525 8.939 21.164 1.00 0.0 A
+ATOM 311 H8 ADE 10 -1.467 8.901 21.352 1.00 0.0 A
+ATOM 312 N1 ADE 10 -6.829 9.568 20.995 1.00 0.0 A
+ATOM 313 C2 ADE 10 -6.756 8.238 20.93 1.00 0.0 A
+ATOM 314 H2 ADE 10 -7.703 7.703 20.862 1.00 0.0 A
+ATOM 315 N3 ADE 10 -5.655 7.493 20.942 1.00 0.0 A
+ATOM 316 C4 ADE 10 -4.547 8.257 21.031 1.00 0.0 A
+ATOM 317 C6 ADE 10 -5.708 10.306 21.082 1.00 0.0 A
+ATOM 318 N6 ADE 10 -5.798 11.634 21.109 1.00 0.0 A
+ATOM 319 H61 ADE 10 -4.961 12.197 21.148 1.00 0.0 A
+ATOM 320 H62 ADE 10 -6.705 12.077 21.097 1.00 0.0 A
+ATOM 321 C2' ADE 10 -1.353 6.163 20.832 1.00 0.0 A
+ATOM 322 H2'' ADE 10 -1.255 5.812 19.797 1.00 0.0 A
+ATOM 323 O2' ADE 10 -1.304 5.706 19.487 1.00 0.0 A
+ATOM 324 H2' ADE 10 -0.763 7.061 21.013 1.00 0.0 A
+ATOM 325 C3' ADE 10 -0.922 5.089 21.772 1.00 0.0 A
+ATOM 326 H3' ADE 10 0.123 5.233 22.05 1.00 0.0 A
+ATOM 327 O3' ADE 10 -1.116 3.794 21.2 1.00 0.0 A
+ATOM 328 P THY 11 -0.3 3.354 19.891 1.00 0.0 A
+ATOM 329 O1P THY 11 0.097 1.93 20.024 1.00 0.0 A
+ATOM 330 O2P THY 11 0.734 4.378 19.599 1.00 0.0 A
+ATOM 331 O5' THY 11 -1.473 3.469 18.803 1.00 0.0 A
+ATOM 332 C5' THY 11 -2.662 2.689 18.966 1.00 0.0 A
+ATOM 333 H5' THY 11 -2.944 2.68 20.01 1.00 0.0 A
+ATOM 334 H5'' THY 11 -2.451 1.662 18.634 1.00 0.0 A
+ATOM 335 C4' THY 11 -3.851 3.245 18.197 1.00 0.0 A
+ATOM 336 H4' THY 11 -4.766 2.847 18.632 1.00 0.0 A
+ATOM 337 O4' THY 11 -3.901 4.696 18.258 1.00 0.0 A
+ATOM 338 C1' THY 11 -4.03 5.228 16.919 1.00 0.0 A
+ATOM 339 H1' THY 11 -5.08 5.439 16.719 1.00 0.0 A
+ATOM 340 N1 THY 11 -3.239 6.466 16.744 1.00 0.0 A
+ATOM 341 C6 THY 11 -1.881 6.47 16.918 1.00 0.0 A
+ATOM 342 H6 THY 11 -1.372 5.54 17.168 1.00 0.0 A
+ATOM 343 C2 THY 11 -3.928 7.616 16.41 1.00 0.0 A
+ATOM 344 O2 THY 11 -5.147 7.627 16.255 1.00 0.0 A
+ATOM 345 N3 THY 11 -3.167 8.76 16.267 1.00 0.0 A
+ATOM 346 H3 THY 11 -3.656 9.597 16.002 1.00 0.0 A
+ATOM 347 C4 THY 11 -1.796 8.854 16.43 1.00 0.0 A
+ATOM 348 O4 THY 11 -1.22 9.932 16.292 1.00 0.0 A
+ATOM 349 C5 THY 11 -1.161 7.602 16.776 1.00 0.0 A
+ATOM 350 C5M THY 11 0.348 7.56 16.99 1.00 0.0 A
+ATOM 351 H51 THY 11 0.804 8.445 16.55 1.00 0.0 A
+ATOM 352 H52 THY 11 0.757 6.667 16.526 1.00 0.0 A
+ATOM 353 H53 THY 11 0.561 7.538 18.049 1.00 0.0 A
+ATOM 354 C2' THY 11 -3.564 4.136 15.992 1.00 0.0 A
+ATOM 355 H2'' THY 11 -4.165 4.148 15.075 1.00 0.0 A
+ATOM 356 O2' THY 11 -4.394 4.212 14.841 1.00 0.0 A
+ATOM 357 H2' THY 11 -2.495 4.258 15.779 1.00 0.0 A
+ATOM 358 C3' THY 11 -3.793 2.852 16.729 1.00 0.0 A
+ATOM 359 H3' THY 11 -2.953 2.176 16.559 1.00 0.0 A
+ATOM 360 O3' THY 11 -5.015 2.233 16.322 1.00 0.0 A
+ATOM 361 P ADE 12 -5.221 1.752 14.807 1.00 0.0 A
+ATOM 362 O1P ADE 12 -6.125 0.574 14.792 1.00 0.0 A
+ATOM 363 O2P ADE 12 -3.895 1.663 14.146 1.00 0.0 A
+ATOM 364 O5' ADE 12 -6.01 3.023 14.225 1.00 0.0 A
+ATOM 365 C5' ADE 12 -7.077 3.615 14.98 1.00 0.0 A
+ATOM 366 H5' ADE 12 -6.67 4.1 15.857 1.00 0.0 A
+ATOM 367 H5'' ADE 12 -7.769 2.818 15.287 1.00 0.0 A
+ATOM 368 C4' ADE 12 -7.824 4.68 14.194 1.00 0.0 A
+ATOM 369 H4' ADE 12 -8.83 4.786 14.598 1.00 0.0 A
+ATOM 370 O4' ADE 12 -7.144 5.958 14.28 1.00 0.0 A
+ATOM 371 C1' ADE 12 -6.79 6.408 12.952 1.00 0.0 A
+ATOM 372 H1' ADE 12 -7.49 7.183 12.639 1.00 0.0 A
+ATOM 373 N9 ADE 12 -5.417 6.949 12.917 1.00 0.0 A
+ATOM 374 C5 ADE 12 -3.693 8.321 12.83 1.00 0.0 A
+ATOM 375 N7 ADE 12 -3.157 7.043 13.02 1.00 0.0 A
+ATOM 376 C8 ADE 12 -4.226 6.316 13.057 1.00 0.0 A
+ATOM 377 H8 ADE 12 -4.171 5.237 13.186 1.00 0.0 A
+ATOM 378 N1 ADE 12 -3.941 10.629 12.522 1.00 0.0 A
+ATOM 379 C2 ADE 12 -5.257 10.448 12.476 1.00 0.0 A
+ATOM 380 H2 ADE 12 -5.861 11.34 12.337 1.00 0.0 A
+ATOM 381 N3 ADE 12 -5.913 9.3 12.587 1.00 0.0 A
+ATOM 382 C4 ADE 12 -5.067 8.268 12.764 1.00 0.0 A
+ATOM 383 C6 ADE 12 -3.111 9.589 12.699 1.00 0.0 A
+ATOM 384 N6 ADE 12 -1.795 9.805 12.753 1.00 0.0 A
+ATOM 385 H61 ADE 12 -1.162 9.032 12.894 1.00 0.0 A
+ATOM 386 H62 ADE 12 -1.429 10.745 12.648 1.00 0.0 A
+ATOM 387 C2' ADE 12 -6.935 5.215 12.045 1.00 0.0 A
+ATOM 388 H2'' ADE 12 -7.341 5.533 11.081 1.00 0.0 A
+ATOM 389 O2' ADE 12 -7.468 5.708 10.823 1.00 0.0 A
+ATOM 390 H2' ADE 12 -5.967 4.711 11.933 1.00 0.0 A
+ATOM 391 C3' ADE 12 -7.909 4.308 12.721 1.00 0.0 A
+ATOM 392 H3' ADE 12 -7.606 3.268 12.582 1.00 0.0 A
+ATOM 393 O3' ADE 12 -9.231 4.514 12.212 1.00 0.0 A
+ATOM 394 P GUA 13 -9.569 4.219 10.669 1.00 0.0 A
+ATOM 395 O1P GUA 13 -10.964 3.722 10.568 1.00 0.0 A
+ATOM 396 O2P GUA 13 -8.467 3.416 10.078 1.00 0.0 A
+ATOM 397 O5' GUA 13 -9.502 5.712 10.074 1.00 0.0 A
+ATOM 398 C5' GUA 13 -10.262 6.771 10.674 1.00 0.0 A
+ATOM 399 H5' GUA 13 -9.915 6.931 11.687 1.00 0.0 A
+ATOM 400 H5'' GUA 13 -11.321 6.472 10.69 1.00 0.0 A
+ATOM 401 C4' GUA 13 -10.106 8.098 9.939 1.00 0.0 A
+ATOM 402 H4' GUA 13 -10.856 8.8 10.304 1.00 0.0 A
+ATOM 403 O4' GUA 13 -8.786 8.662 10.158 1.00 0.0 A
+ATOM 404 C1' GUA 13 -8.107 8.815 8.888 1.00 0.0 A
+ATOM 405 H1' GUA 13 -8.123 9.865 8.595 1.00 0.0 A
+ATOM 406 N9 GUA 13 -6.709 8.354 8.973 1.00 0.0 A
+ATOM 407 C4 GUA 13 -5.588 9.146 8.985 1.00 0.0 A
+ATOM 408 N2 GUA 13 -4.124 12.296 8.784 1.00 0.0 A
+ATOM 409 H21 GUA 13 -3.184 12.667 8.819 1.00 0.0 A
+ATOM 410 H22 GUA 13 -4.906 12.918 8.649 1.00 0.0 A
+ATOM 411 N3 GUA 13 -5.57 10.492 8.868 1.00 0.0 A
+ATOM 412 C2 GUA 13 -4.33 10.984 8.915 1.00 0.0 A
+ATOM 413 N1 GUA 13 -3.206 10.202 9.073 1.00 0.0 A
+ATOM 414 H1 GUA 13 -2.315 10.646 9.124 1.00 0.0 A
+ATOM 415 C6 GUA 13 -3.197 8.821 9.193 1.00 0.0 A
+ATOM 416 O6 GUA 13 -2.131 8.221 9.329 1.00 0.0 A
+ATOM 417 C5 GUA 13 -4.509 8.289 9.14 1.00 0.0 A
+ATOM 418 N7 GUA 13 -4.941 6.963 9.22 1.00 0.0 A
+ATOM 419 C8 GUA 13 -6.219 7.099 9.112 1.00 0.0 A
+ATOM 420 H8 GUA 13 -6.878 6.234 9.115 1.00 0.0 A
+ATOM 421 C2' GUA 13 -8.891 8.009 7.886 1.00 0.0 A
+ATOM 422 H2'' GUA 13 -8.913 8.529 6.925 1.00 0.0 A
+ATOM 423 O2' GUA 13 -8.878 8.756 6.677 1.00 0.0 A
+ATOM 424 H2' GUA 13 -8.46 7.004 7.796 1.00 0.0 A
+ATOM 425 C3' GUA 13 -10.275 7.918 8.438 1.00 0.0 A
+ATOM 426 H3' GUA 13 -10.699 6.935 8.226 1.00 0.0 A
+ATOM 427 O3' GUA 13 -11.101 8.949 7.886 1.00 0.0 A
+ATOM 428 P GUA 14 -11.39 9.003 6.307 1.00 0.0 A
+ATOM 429 O1P GUA 14 -12.822 9.326 6.088 1.00 0.0 A
+ATOM 430 O2P GUA 14 -10.812 7.792 5.669 1.00 0.0 A
+ATOM 431 O5' GUA 14 -10.498 10.281 5.903 1.00 0.0 A
+ATOM 432 C5' GUA 14 -10.655 11.527 6.598 1.00 0.0 A
+ATOM 433 H5' GUA 14 -10.451 11.38 7.649 1.00 0.0 A
+ATOM 434 H5'' GUA 14 -11.694 11.866 6.469 1.00 0.0 A
+ATOM 435 C4' GUA 14 -9.695 12.606 6.108 1.00 0.0 A
+ATOM 436 H4' GUA 14 -10.002 13.566 6.522 1.00 0.0 A
+ATOM 437 O4' GUA 14 -8.331 12.331 6.524 1.00 0.0 A
+ATOM 438 C1' GUA 14 -7.466 12.306 5.364 1.00 0.0 A
+ATOM 439 H1' GUA 14 -6.929 13.252 5.293 1.00 0.0 A
+ATOM 440 N9 GUA 14 -6.496 11.197 5.439 1.00 0.0 A
+ATOM 441 C4 GUA 14 -5.13 11.309 5.503 1.00 0.0 A
+ATOM 442 N2 GUA 14 -2.272 13.284 5.569 1.00 0.0 A
+ATOM 443 H21 GUA 14 -1.276 13.122 5.619 1.00 0.0 A
+ATOM 444 H22 GUA 14 -2.629 14.227 5.521 1.00 0.0 A
+ATOM 445 N3 GUA 14 -4.431 12.464 5.499 1.00 0.0 A
+ATOM 446 C2 GUA 14 -3.115 12.253 5.569 1.00 0.0 A
+ATOM 447 N1 GUA 14 -2.546 11 5.639 1.00 0.0 A
+ATOM 448 H1 GUA 14 -1.553 10.927 5.697 1.00 0.0 A
+ATOM 449 C6 GUA 14 -3.243 9.8 5.643 1.00 0.0 A
+ATOM 450 O6 GUA 14 -2.637 8.733 5.71 1.00 0.0 A
+ATOM 451 C5 GUA 14 -4.64 10.014 5.568 1.00 0.0 A
+ATOM 452 N7 GUA 14 -5.685 9.089 5.544 1.00 0.0 A
+ATOM 453 C8 GUA 14 -6.712 9.862 5.468 1.00 0.0 A
+ATOM 454 H8 GUA 14 -7.718 9.456 5.407 1.00 0.0 A
+ATOM 455 C2' GUA 14 -8.37 12.156 4.168 1.00 0.0 A
+ATOM 456 H2'' GUA 14 -7.981 12.746 3.333 1.00 0.0 A
+ATOM 457 O2' GUA 14 -7.8 12.955 3.14 1.00 0.0 A
+ATOM 458 H2' GUA 14 -8.468 11.095 3.906 1.00 0.0 A
+ATOM 459 C3' GUA 14 -9.699 12.699 4.588 1.00 0.0 A
+ATOM 460 H3' GUA 14 -10.498 12.075 4.18 1.00 0.0 A
+ATOM 461 O3' GUA 14 -9.858 14.054 4.155 1.00 0.0 A
+ATOM 462 P ADE 15 -9.872 14.418 2.591 1.00 0.0 A
+ATOM 463 O1P ADE 15 -10.717 15.621 2.385 1.00 0.0 A
+ATOM 464 O2P ADE 15 -10.159 13.187 1.811 1.00 0.0 A
+ATOM 465 O5' ADE 15 -8.329 14.822 2.384 1.00 0.0 A
+ATOM 466 C5' ADE 15 -7.757 15.905 3.132 1.00 0.0 A
+ATOM 467 H5' ADE 15 -7.679 15.62 4.173 1.00 0.0 A
+ATOM 468 H5'' ADE 15 -8.419 16.778 3.038 1.00 0.0 A
+ATOM 469 C4' ADE 15 -6.352 16.267 2.666 1.00 0.0 A
+ATOM 470 H4' ADE 15 -6.074 17.231 3.09 1.00 0.0 A
+ATOM 471 O4' ADE 15 -5.384 15.271 3.088 1.00 0.0 A
+ATOM 472 C1' ADE 15 -4.683 14.758 1.931 1.00 0.0 A
+ATOM 473 H1' ADE 15 -3.701 15.229 1.864 1.00 0.0 A
+ATOM 474 N9 ADE 15 -4.519 13.297 2.002 1.00 0.0 A
+ATOM 475 C5 ADE 15 -3.661 11.277 2.155 1.00 0.0 A
+ATOM 476 N7 ADE 15 -5.037 11.096 2.004 1.00 0.0 A
+ATOM 477 C8 ADE 15 -5.449 12.315 1.922 1.00 0.0 A
+ATOM 478 H8 ADE 15 -6.501 12.547 1.781 1.00 0.0 A
+ATOM 479 N1 ADE 15 -1.372 10.906 2.425 1.00 0.0 A
+ATOM 480 C2 ADE 15 -1.189 12.224 2.412 1.00 0.0 A
+ATOM 481 H2 ADE 15 -0.165 12.572 2.528 1.00 0.0 A
+ATOM 482 N3 ADE 15 -2.117 13.16 2.28 1.00 0.0 A
+ATOM 483 C4 ADE 15 -3.341 12.615 2.156 1.00 0.0 A
+ATOM 484 C6 ADE 15 -2.6 10.384 2.299 1.00 0.0 A
+ATOM 485 N6 ADE 15 -2.755 9.059 2.312 1.00 0.0 A
+ATOM 486 H61 ADE 15 -1.949 8.456 2.417 1.00 0.0 A
+ATOM 487 H62 ADE 15 -3.677 8.658 2.219 1.00 0.0 A
+ATOM 488 C2' ADE 15 -5.504 15.149 0.731 1.00 0.0 A
+ATOM 489 H2'' ADE 15 -4.844 15.409 -0.102 1.00 0.0 A
+ATOM 490 O2' ADE 15 -4.576 15.478 -0.294 1.00 0.0 A
+ATOM 491 H2' ADE 15 -6.19 14.335 0.468 1.00 0.0 A
+ATOM 492 C3' ADE 15 -6.283 16.352 1.147 1.00 0.0 A
+ATOM 493 H3' ADE 15 -7.289 16.303 0.726 1.00 0.0 A
+ATOM 494 O3' ADE 15 -5.624 17.548 0.722 1.00 0.0 A
+ATOM 495 P THY 16 -5.398 17.836 -0.841 1.00 0.0 A
+ATOM 496 O1P THY 16 -5.436 19.302 -1.072 1.00 0.0 A
+ATOM 497 O2P THY 16 -6.293 16.951 -1.628 1.00 0.0 A
+ATOM 498 O5' THY 16 -3.882 17.322 -1.001 1.00 0.0 A
+ATOM 499 C5' THY 16 -2.838 17.907 -0.211 1.00 0.0 A
+ATOM 500 H5' THY 16 -2.999 17.667 0.83 1.00 0.0 A
+ATOM 501 H5'' THY 16 -2.874 18.998 -0.347 1.00 0.0 A
+ATOM 502 C4' THY 16 -1.452 17.388 -0.574 1.00 0.0 A
+ATOM 503 H4' THY 16 -0.705 17.995 -0.065 1.00 0.0 A
+ATOM 504 O4' THY 16 -1.281 16.003 -0.17 1.00 0.0 A
+ATOM 505 C1' THY 16 -0.834 15.221 -1.3 1.00 0.0 A
+ATOM 506 H1' THY 16 0.246 15.085 -1.238 1.00 0.0 A
+ATOM 507 N1 THY 16 -1.493 13.897 -1.332 1.00 0.0 A
+ATOM 508 C6 THY 16 -2.847 13.782 -1.508 1.00 0.0 A
+ATOM 509 H6 THY 16 -3.452 14.681 -1.599 1.00 0.0 A
+ATOM 510 C2 THY 16 -0.686 12.781 -1.194 1.00 0.0 A
+ATOM 511 O2 THY 16 0.53 12.869 -1.037 1.00 0.0 A
+ATOM 512 N3 THY 16 -1.328 11.558 -1.246 1.00 0.0 A
+ATOM 513 H3 THY 16 -0.76 10.742 -1.134 1.00 0.0 A
+ATOM 514 C4 THY 16 -2.685 11.356 -1.424 1.00 0.0 A
+ATOM 515 O4 THY 16 -3.15 10.219 -1.466 1.00 0.0 A
+ATOM 516 C5 THY 16 -3.447 12.577 -1.557 1.00 0.0 A
+ATOM 517 C5M THY 16 -4.957 12.501 -1.76 1.00 0.0 A
+ATOM 518 H51 THY 16 -5.422 13.407 -1.376 1.00 0.0 A
+ATOM 519 H52 THY 16 -5.352 11.634 -1.237 1.00 0.0 A
+ATOM 520 H53 THY 16 -5.176 12.408 -2.814 1.00 0.0 A
+ATOM 521 C2' THY 16 -1.16 16.036 -2.531 1.00 0.0 A
+ATOM 522 H2'' THY 16 -0.365 15.912 -3.277 1.00 0.0 A
+ATOM 523 O2' THY 16 -0.085 15.83 -3.438 1.00 0.0 A
+ATOM 524 H2' THY 16 -2.137 15.741 -2.93 1.00 0.0 A
+ATOM 525 C3' THY 16 -1.207 17.463 -2.076 1.00 0.0 A
+ATOM 526 H3' THY 16 -2.043 17.975 -2.561 1.00 0.0 A
+ATOM 527 O3' THY 16 0.021 18.138 -2.365 1.00 0.0 A
ATOM 528 OT HOH 33 -12.855 -0.6509 -4.2105 1.00 0.00 WATR
ATOM 529 HT HOH 33 -12.098 -0.0650 -4.2105 1.00 0.00 WATR
ATOM 530 HT HOH 33 -13.612 -0.0650 -4.2105 1.00 0.00 WATR
ATOM 531 OT HOH 34 -10.392 1.81228 -4.2105 1.00 0.00 WATR
ATOM 532 HT HOH 34 -9.6352 2.39816 -4.2105 1.00 0.00 WATR
ATOM 533 HT HOH 34 -11.149 2.39816 -4.2105 1.00 0.00 WATR
-ATOM 534 SOD ION 35 -10.392 -0.6509 -1.7473 1.00 0.00 SALT
-ATOM 535 OT HOH 36 -12.855 1.81228 -1.7473 1.00 0.00 WATR
-ATOM 536 HT HOH 36 -12.098 2.39816 -1.7473 1.00 0.00 WATR
-ATOM 537 HT HOH 36 -13.612 2.39816 -1.7473 1.00 0.00 WATR
-ATOM 538 OT HOH 37 -12.855 -0.6509 0.71587 1.00 0.00 WATR
-ATOM 539 HT HOH 37 -12.098 -0.0650 0.71587 1.00 0.00 WATR
-ATOM 540 HT HOH 37 -13.612 -0.0650 0.71587 1.00 0.00 WATR
-ATOM 541 SOD ION 38 -10.392 1.81228 0.71587 1.00 0.00 SALT
-ATOM 542 OT HOH 39 -10.392 -0.6509 3.17907 1.00 0.00 WATR
-ATOM 543 HT HOH 39 -9.6352 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 544 HT HOH 39 -11.149 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 545 OT HOH 40 -12.855 1.81228 3.17907 1.00 0.00 WATR
-ATOM 546 HT HOH 40 -12.098 2.39816 3.17907 1.00 0.00 WATR
-ATOM 547 HT HOH 40 -13.612 2.39816 3.17907 1.00 0.00 WATR
-ATOM 548 OT HOH 41 -12.855 -0.6509 5.64228 1.00 0.00 WATR
-ATOM 549 HT HOH 41 -12.098 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 550 HT HOH 41 -13.612 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 551 OT HOH 42 -10.392 1.81228 5.64228 1.00 0.00 WATR
-ATOM 552 HT HOH 42 -9.6352 2.39816 5.64228 1.00 0.00 WATR
-ATOM 553 HT HOH 42 -11.149 2.39816 5.64228 1.00 0.00 WATR
-ATOM 554 OT HOH 43 -10.392 -0.6509 8.10548 1.00 0.00 WATR
-ATOM 555 HT HOH 43 -9.6352 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 556 HT HOH 43 -11.149 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 557 OT HOH 44 -12.855 1.81228 8.10548 1.00 0.00 WATR
-ATOM 558 HT HOH 44 -12.098 2.39816 8.10548 1.00 0.00 WATR
-ATOM 559 HT HOH 44 -13.612 2.39816 8.10548 1.00 0.00 WATR
-ATOM 560 OT HOH 45 -12.855 -0.6509 10.5686 1.00 0.00 WATR
-ATOM 561 HT HOH 45 -12.098 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 562 HT HOH 45 -13.612 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 563 OT HOH 46 -10.392 -0.6509 13.0318 1.00 0.00 WATR
-ATOM 564 HT HOH 46 -9.6352 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 565 HT HOH 46 -11.149 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 566 OT HOH 47 -12.855 1.81228 13.0318 1.00 0.00 WATR
-ATOM 567 HT HOH 47 -12.098 2.39816 13.0318 1.00 0.00 WATR
-ATOM 568 HT HOH 47 -13.612 2.39816 13.0318 1.00 0.00 WATR
-ATOM 569 OT HOH 48 -12.855 -0.6509 15.4951 1.00 0.00 WATR
-ATOM 570 HT HOH 48 -12.098 -0.0650 15.4951 1.00 0.00 WATR
-ATOM 571 HT HOH 48 -13.612 -0.0650 15.4951 1.00 0.00 WATR
-ATOM 572 OT HOH 49 -10.392 1.81228 15.4951 1.00 0.00 WATR
-ATOM 573 HT HOH 49 -9.6352 2.39816 15.4951 1.00 0.00 WATR
-ATOM 574 HT HOH 49 -11.149 2.39816 15.4951 1.00 0.00 WATR
-ATOM 575 OT HOH 50 -10.392 -0.6509 17.9583 1.00 0.00 WATR
-ATOM 576 HT HOH 50 -9.6352 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 577 HT HOH 50 -11.149 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 578 OT HOH 51 -12.855 1.81228 17.9583 1.00 0.00 WATR
-ATOM 579 HT HOH 51 -12.098 2.39816 17.9583 1.00 0.00 WATR
-ATOM 580 HT HOH 51 -13.612 2.39816 17.9583 1.00 0.00 WATR
-ATOM 581 OT HOH 52 -12.855 -0.6509 20.4215 1.00 0.00 WATR
-ATOM 582 HT HOH 52 -12.098 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 583 HT HOH 52 -13.612 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 584 OT HOH 53 -10.392 1.81228 20.4215 1.00 0.00 WATR
-ATOM 585 HT HOH 53 -9.6352 2.39816 20.4215 1.00 0.00 WATR
-ATOM 586 HT HOH 53 -11.149 2.39816 20.4215 1.00 0.00 WATR
-ATOM 587 OT HOH 54 -10.392 -0.6509 22.8847 1.00 0.00 WATR
-ATOM 588 HT HOH 54 -9.6352 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 589 HT HOH 54 -11.149 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 590 OT HOH 55 -12.855 1.81228 22.8847 1.00 0.00 WATR
-ATOM 591 HT HOH 55 -12.098 2.39816 22.8847 1.00 0.00 WATR
-ATOM 592 HT HOH 55 -13.612 2.39816 22.8847 1.00 0.00 WATR
-ATOM 593 OT HOH 56 -12.855 -0.6509 25.3479 1.00 0.00 WATR
-ATOM 594 HT HOH 56 -12.098 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 595 HT HOH 56 -13.612 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 596 OT HOH 57 -10.392 1.81228 25.3479 1.00 0.00 WATR
-ATOM 597 HT HOH 57 -9.6352 2.39816 25.3479 1.00 0.00 WATR
-ATOM 598 HT HOH 57 -11.149 2.39816 25.3479 1.00 0.00 WATR
-ATOM 599 OT HOH 58 -10.392 -0.6509 27.8111 1.00 0.00 WATR
-ATOM 600 HT HOH 58 -9.6352 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 601 HT HOH 58 -11.149 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 602 OT HOH 59 -12.855 1.81228 27.8111 1.00 0.00 WATR
-ATOM 603 HT HOH 59 -12.098 2.39816 27.8111 1.00 0.00 WATR
-ATOM 604 HT HOH 59 -13.612 2.39816 27.8111 1.00 0.00 WATR
-ATOM 605 OT HOH 60 -12.855 -0.6509 30.2743 1.00 0.00 WATR
-ATOM 606 HT HOH 60 -12.098 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 607 HT HOH 60 -13.612 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 608 OT HOH 61 -10.392 1.81228 30.2743 1.00 0.00 WATR
-ATOM 609 HT HOH 61 -9.6352 2.39816 30.2743 1.00 0.00 WATR
-ATOM 610 HT HOH 61 -11.149 2.39816 30.2743 1.00 0.00 WATR
-ATOM 611 OT HOH 62 -10.392 -0.6509 32.7375 1.00 0.00 WATR
-ATOM 612 HT HOH 62 -9.6352 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 613 HT HOH 62 -11.149 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 614 OT HOH 63 -12.855 1.81228 32.7375 1.00 0.00 WATR
-ATOM 615 HT HOH 63 -12.098 2.39816 32.7375 1.00 0.00 WATR
-ATOM 616 HT HOH 63 -13.612 2.39816 32.7375 1.00 0.00 WATR
-ATOM 617 OT HOH 64 -12.855 4.27548 -4.2105 1.00 0.00 WATR
-ATOM 618 HT HOH 64 -12.098 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 619 HT HOH 64 -13.612 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 620 OT HOH 65 -10.392 6.73869 -4.2105 1.00 0.00 WATR
-ATOM 621 HT HOH 65 -9.6352 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 622 HT HOH 65 -11.149 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 623 OT HOH 66 -10.392 4.27548 -1.7473 1.00 0.00 WATR
-ATOM 624 HT HOH 66 -9.6352 4.86136 -1.7473 1.00 0.00 WATR
-ATOM 625 HT HOH 66 -11.149 4.86136 -1.7473 1.00 0.00 WATR
-ATOM 626 OT HOH 67 -12.855 6.73869 -1.7473 1.00 0.00 WATR
-ATOM 627 HT HOH 67 -12.098 7.32457 -1.7473 1.00 0.00 WATR
-ATOM 628 HT HOH 67 -13.612 7.32457 -1.7473 1.00 0.00 WATR
-ATOM 629 OT HOH 68 -12.855 4.27548 0.71587 1.00 0.00 WATR
-ATOM 630 HT HOH 68 -12.098 4.86136 0.71587 1.00 0.00 WATR
-ATOM 631 HT HOH 68 -13.612 4.86136 0.71587 1.00 0.00 WATR
-ATOM 632 OT HOH 69 -10.392 6.73869 0.71587 1.00 0.00 WATR
-ATOM 633 HT HOH 69 -9.6352 7.32457 0.71587 1.00 0.00 WATR
-ATOM 634 HT HOH 69 -11.149 7.32457 0.71587 1.00 0.00 WATR
-ATOM 635 OT HOH 70 -10.392 4.27548 3.17907 1.00 0.00 WATR
-ATOM 636 HT HOH 70 -9.6352 4.86136 3.17907 1.00 0.00 WATR
-ATOM 637 HT HOH 70 -11.149 4.86136 3.17907 1.00 0.00 WATR
-ATOM 638 OT HOH 71 -12.855 6.73869 3.17907 1.00 0.00 WATR
-ATOM 639 HT HOH 71 -12.098 7.32457 3.17907 1.00 0.00 WATR
-ATOM 640 HT HOH 71 -13.612 7.32457 3.17907 1.00 0.00 WATR
-ATOM 641 OT HOH 72 -12.855 4.27548 5.64228 1.00 0.00 WATR
-ATOM 642 HT HOH 72 -12.098 4.86136 5.64228 1.00 0.00 WATR
-ATOM 643 HT HOH 72 -13.612 4.86136 5.64228 1.00 0.00 WATR
-ATOM 644 OT HOH 73 -12.855 6.73869 13.0318 1.00 0.00 WATR
-ATOM 645 HT HOH 73 -12.098 7.32457 13.0318 1.00 0.00 WATR
-ATOM 646 HT HOH 73 -13.612 7.32457 13.0318 1.00 0.00 WATR
-ATOM 647 OT HOH 74 -12.855 4.27548 15.4951 1.00 0.00 WATR
-ATOM 648 HT HOH 74 -12.098 4.86136 15.4951 1.00 0.00 WATR
-ATOM 649 HT HOH 74 -13.612 4.86136 15.4951 1.00 0.00 WATR
-ATOM 650 OT HOH 75 -10.392 4.27548 17.9583 1.00 0.00 WATR
-ATOM 651 HT HOH 75 -9.6352 4.86136 17.9583 1.00 0.00 WATR
-ATOM 652 HT HOH 75 -11.149 4.86136 17.9583 1.00 0.00 WATR
-ATOM 653 OT HOH 76 -12.855 6.73869 17.9583 1.00 0.00 WATR
-ATOM 654 HT HOH 76 -12.098 7.32457 17.9583 1.00 0.00 WATR
-ATOM 655 HT HOH 76 -13.612 7.32457 17.9583 1.00 0.00 WATR
-ATOM 656 OT HOH 77 -12.855 4.27548 20.4215 1.00 0.00 WATR
-ATOM 657 HT HOH 77 -12.098 4.86136 20.4215 1.00 0.00 WATR
-ATOM 658 HT HOH 77 -13.612 4.86136 20.4215 1.00 0.00 WATR
-ATOM 659 OT HOH 78 -10.392 6.73869 20.4215 1.00 0.00 WATR
-ATOM 660 HT HOH 78 -9.6352 7.32457 20.4215 1.00 0.00 WATR
-ATOM 661 HT HOH 78 -11.149 7.32457 20.4215 1.00 0.00 WATR
-ATOM 662 OT HOH 79 -10.392 4.27548 22.8847 1.00 0.00 WATR
-ATOM 663 HT HOH 79 -9.6352 4.86136 22.8847 1.00 0.00 WATR
-ATOM 664 HT HOH 79 -11.149 4.86136 22.8847 1.00 0.00 WATR
-ATOM 665 OT HOH 80 -12.855 6.73869 22.8847 1.00 0.00 WATR
-ATOM 666 HT HOH 80 -12.098 7.32457 22.8847 1.00 0.00 WATR
-ATOM 667 HT HOH 80 -13.612 7.32457 22.8847 1.00 0.00 WATR
-ATOM 668 OT HOH 81 -12.855 4.27548 25.3479 1.00 0.00 WATR
-ATOM 669 HT HOH 81 -12.098 4.86136 25.3479 1.00 0.00 WATR
-ATOM 670 HT HOH 81 -13.612 4.86136 25.3479 1.00 0.00 WATR
-ATOM 671 OT HOH 82 -10.392 6.73869 25.3479 1.00 0.00 WATR
-ATOM 672 HT HOH 82 -9.6352 7.32457 25.3479 1.00 0.00 WATR
-ATOM 673 HT HOH 82 -11.149 7.32457 25.3479 1.00 0.00 WATR
-ATOM 674 OT HOH 83 -10.392 4.27548 27.8111 1.00 0.00 WATR
-ATOM 675 HT HOH 83 -9.6352 4.86136 27.8111 1.00 0.00 WATR
-ATOM 676 HT HOH 83 -11.149 4.86136 27.8111 1.00 0.00 WATR
-ATOM 677 OT HOH 84 -12.855 6.73869 27.8111 1.00 0.00 WATR
-ATOM 678 HT HOH 84 -12.098 7.32457 27.8111 1.00 0.00 WATR
-ATOM 679 HT HOH 84 -13.612 7.32457 27.8111 1.00 0.00 WATR
-ATOM 680 OT HOH 85 -12.855 4.27548 30.2743 1.00 0.00 WATR
-ATOM 681 HT HOH 85 -12.098 4.86136 30.2743 1.00 0.00 WATR
-ATOM 682 HT HOH 85 -13.612 4.86136 30.2743 1.00 0.00 WATR
-ATOM 683 OT HOH 86 -10.392 6.73869 30.2743 1.00 0.00 WATR
-ATOM 684 HT HOH 86 -9.6352 7.32457 30.2743 1.00 0.00 WATR
-ATOM 685 HT HOH 86 -11.149 7.32457 30.2743 1.00 0.00 WATR
-ATOM 686 OT HOH 87 -10.392 4.27548 32.7375 1.00 0.00 WATR
-ATOM 687 HT HOH 87 -9.6352 4.86136 32.7375 1.00 0.00 WATR
-ATOM 688 HT HOH 87 -11.149 4.86136 32.7375 1.00 0.00 WATR
-ATOM 689 OT HOH 88 -12.855 6.73869 32.7375 1.00 0.00 WATR
-ATOM 690 HT HOH 88 -12.098 7.32457 32.7375 1.00 0.00 WATR
-ATOM 691 HT HOH 88 -13.612 7.32457 32.7375 1.00 0.00 WATR
-ATOM 692 OT HOH 89 -12.855 9.20189 -4.2105 1.00 0.00 WATR
-ATOM 693 HT HOH 89 -12.098 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 694 HT HOH 89 -13.612 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 695 OT HOH 90 -10.392 11.6651 -4.2105 1.00 0.00 WATR
-ATOM 696 HT HOH 90 -9.6352 12.2509 -4.2105 1.00 0.00 WATR
-ATOM 697 HT HOH 90 -11.149 12.2509 -4.2105 1.00 0.00 WATR
-ATOM 698 OT HOH 91 -10.392 9.20189 -1.7473 1.00 0.00 WATR
-ATOM 699 HT HOH 91 -9.6352 9.78777 -1.7473 1.00 0.00 WATR
-ATOM 700 HT HOH 91 -11.149 9.78777 -1.7473 1.00 0.00 WATR
-ATOM 701 OT HOH 92 -12.855 11.6651 -1.7473 1.00 0.00 WATR
-ATOM 702 HT HOH 92 -12.098 12.2509 -1.7473 1.00 0.00 WATR
-ATOM 703 HT HOH 92 -13.612 12.2509 -1.7473 1.00 0.00 WATR
-ATOM 704 OT HOH 93 -12.855 9.20189 0.71587 1.00 0.00 WATR
-ATOM 705 HT HOH 93 -12.098 9.78777 0.71587 1.00 0.00 WATR
-ATOM 706 HT HOH 93 -13.612 9.78777 0.71587 1.00 0.00 WATR
-ATOM 707 OT HOH 94 -10.392 11.6651 10.5686 1.00 0.00 WATR
-ATOM 708 HT HOH 94 -9.6352 12.2509 10.5686 1.00 0.00 WATR
-ATOM 709 HT HOH 94 -11.149 12.2509 10.5686 1.00 0.00 WATR
-ATOM 710 OT HOH 95 -12.855 11.6651 13.0318 1.00 0.00 WATR
-ATOM 711 HT HOH 95 -12.098 12.2509 13.0318 1.00 0.00 WATR
-ATOM 712 HT HOH 95 -13.612 12.2509 13.0318 1.00 0.00 WATR
-ATOM 713 OT HOH 96 -12.855 9.20189 15.4951 1.00 0.00 WATR
-ATOM 714 HT HOH 96 -12.098 9.78777 15.4951 1.00 0.00 WATR
-ATOM 715 HT HOH 96 -13.612 9.78777 15.4951 1.00 0.00 WATR
-ATOM 716 OT HOH 97 -10.392 11.6651 15.4951 1.00 0.00 WATR
-ATOM 717 HT HOH 97 -9.6352 12.2509 15.4951 1.00 0.00 WATR
-ATOM 718 HT HOH 97 -11.149 12.2509 15.4951 1.00 0.00 WATR
-ATOM 719 OT HOH 98 -10.392 9.20189 17.9583 1.00 0.00 WATR
-ATOM 720 HT HOH 98 -9.6352 9.78777 17.9583 1.00 0.00 WATR
-ATOM 721 HT HOH 98 -11.149 9.78777 17.9583 1.00 0.00 WATR
-ATOM 722 OT HOH 99 -12.855 11.6651 17.9583 1.00 0.00 WATR
-ATOM 723 HT HOH 99 -12.098 12.2509 17.9583 1.00 0.00 WATR
-ATOM 724 HT HOH 99 -13.612 12.2509 17.9583 1.00 0.00 WATR
-ATOM 725 OT HOH 100 -12.855 9.20189 20.4215 1.00 0.00 WATR
-ATOM 726 HT HOH 100 -12.098 9.78777 20.4215 1.00 0.00 WATR
-ATOM 727 HT HOH 100 -13.612 9.78777 20.4215 1.00 0.00 WATR
-ATOM 728 OT HOH 101 -12.855 9.20189 25.3479 1.00 0.00 WATR
-ATOM 729 HT HOH 101 -12.098 9.78777 25.3479 1.00 0.00 WATR
-ATOM 730 HT HOH 101 -13.612 9.78777 25.3479 1.00 0.00 WATR
-ATOM 731 OT HOH 102 -10.392 9.20189 27.8111 1.00 0.00 WATR
-ATOM 732 HT HOH 102 -9.6352 9.78777 27.8111 1.00 0.00 WATR
-ATOM 733 HT HOH 102 -11.149 9.78777 27.8111 1.00 0.00 WATR
-ATOM 734 OT HOH 103 -12.855 11.6651 27.8111 1.00 0.00 WATR
-ATOM 735 HT HOH 103 -12.098 12.2509 27.8111 1.00 0.00 WATR
-ATOM 736 HT HOH 103 -13.612 12.2509 27.8111 1.00 0.00 WATR
-ATOM 737 OT HOH 104 -12.855 9.20189 30.2743 1.00 0.00 WATR
-ATOM 738 HT HOH 104 -12.098 9.78777 30.2743 1.00 0.00 WATR
-ATOM 739 HT HOH 104 -13.612 9.78777 30.2743 1.00 0.00 WATR
+ATOM 534 OT HOH 35 -10.392 -0.6509 -1.7473 1.00 0.00 WATR
+ATOM 535 HT HOH 35 -9.6352 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 536 HT HOH 35 -11.149 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 537 OT HOH 36 -12.855 1.81228 -1.7473 1.00 0.00 WATR
+ATOM 538 HT HOH 36 -12.098 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 539 HT HOH 36 -13.612 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 540 OT HOH 37 -12.855 -0.6509 0.71587 1.00 0.00 WATR
+ATOM 541 HT HOH 37 -12.098 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 542 HT HOH 37 -13.612 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 543 OT HOH 38 -10.392 1.81228 0.71587 1.00 0.00 WATR
+ATOM 544 HT HOH 38 -9.6352 2.39816 0.71587 1.00 0.00 WATR
+ATOM 545 HT HOH 38 -11.149 2.39816 0.71587 1.00 0.00 WATR
+ATOM 546 OT HOH 39 -10.392 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 547 HT HOH 39 -9.6352 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 548 HT HOH 39 -11.149 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 549 OT HOH 40 -12.855 1.81228 3.17907 1.00 0.00 WATR
+ATOM 550 HT HOH 40 -12.098 2.39816 3.17907 1.00 0.00 WATR
+ATOM 551 HT HOH 40 -13.612 2.39816 3.17907 1.00 0.00 WATR
+ATOM 552 OT HOH 41 -12.855 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 553 HT HOH 41 -12.098 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 554 HT HOH 41 -13.612 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 555 OT HOH 42 -10.392 1.81228 5.64228 1.00 0.00 WATR
+ATOM 556 HT HOH 42 -9.6352 2.39816 5.64228 1.00 0.00 WATR
+ATOM 557 HT HOH 42 -11.149 2.39816 5.64228 1.00 0.00 WATR
+ATOM 558 OT HOH 43 -10.392 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 559 HT HOH 43 -9.6352 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 560 HT HOH 43 -11.149 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 561 OT HOH 44 -12.855 1.81228 8.10548 1.00 0.00 WATR
+ATOM 562 HT HOH 44 -12.098 2.39816 8.10548 1.00 0.00 WATR
+ATOM 563 HT HOH 44 -13.612 2.39816 8.10548 1.00 0.00 WATR
+ATOM 564 OT HOH 45 -12.855 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 565 HT HOH 45 -12.098 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 566 HT HOH 45 -13.612 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 567 OT HOH 46 -10.392 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 568 HT HOH 46 -9.6352 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 569 HT HOH 46 -11.149 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 570 OT HOH 47 -12.855 1.81228 13.0318 1.00 0.00 WATR
+ATOM 571 HT HOH 47 -12.098 2.39816 13.0318 1.00 0.00 WATR
+ATOM 572 HT HOH 47 -13.612 2.39816 13.0318 1.00 0.00 WATR
+ATOM 573 SOD ION 48 -12.855 -0.6509 15.4951 1.00 0.00 SALT
+ATOM 574 OT HOH 49 -10.392 1.81228 15.4951 1.00 0.00 WATR
+ATOM 575 HT HOH 49 -9.6352 2.39816 15.4951 1.00 0.00 WATR
+ATOM 576 HT HOH 49 -11.149 2.39816 15.4951 1.00 0.00 WATR
+ATOM 577 OT HOH 50 -10.392 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 578 HT HOH 50 -9.6352 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 579 HT HOH 50 -11.149 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 580 OT HOH 51 -12.855 1.81228 17.9583 1.00 0.00 WATR
+ATOM 581 HT HOH 51 -12.098 2.39816 17.9583 1.00 0.00 WATR
+ATOM 582 HT HOH 51 -13.612 2.39816 17.9583 1.00 0.00 WATR
+ATOM 583 OT HOH 52 -12.855 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 584 HT HOH 52 -12.098 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 585 HT HOH 52 -13.612 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 586 OT HOH 53 -10.392 1.81228 20.4215 1.00 0.00 WATR
+ATOM 587 HT HOH 53 -9.6352 2.39816 20.4215 1.00 0.00 WATR
+ATOM 588 HT HOH 53 -11.149 2.39816 20.4215 1.00 0.00 WATR
+ATOM 589 OT HOH 54 -10.392 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 590 HT HOH 54 -9.6352 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 591 HT HOH 54 -11.149 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 592 OT HOH 55 -12.855 1.81228 22.8847 1.00 0.00 WATR
+ATOM 593 HT HOH 55 -12.098 2.39816 22.8847 1.00 0.00 WATR
+ATOM 594 HT HOH 55 -13.612 2.39816 22.8847 1.00 0.00 WATR
+ATOM 595 OT HOH 56 -12.855 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 596 HT HOH 56 -12.098 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 597 HT HOH 56 -13.612 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 598 OT HOH 57 -10.392 1.81228 25.3479 1.00 0.00 WATR
+ATOM 599 HT HOH 57 -9.6352 2.39816 25.3479 1.00 0.00 WATR
+ATOM 600 HT HOH 57 -11.149 2.39816 25.3479 1.00 0.00 WATR
+ATOM 601 OT HOH 58 -10.392 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 602 HT HOH 58 -9.6352 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 603 HT HOH 58 -11.149 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 604 OT HOH 59 -12.855 1.81228 27.8111 1.00 0.00 WATR
+ATOM 605 HT HOH 59 -12.098 2.39816 27.8111 1.00 0.00 WATR
+ATOM 606 HT HOH 59 -13.612 2.39816 27.8111 1.00 0.00 WATR
+ATOM 607 OT HOH 60 -12.855 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 608 HT HOH 60 -12.098 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 609 HT HOH 60 -13.612 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 610 OT HOH 61 -10.392 1.81228 30.2743 1.00 0.00 WATR
+ATOM 611 HT HOH 61 -9.6352 2.39816 30.2743 1.00 0.00 WATR
+ATOM 612 HT HOH 61 -11.149 2.39816 30.2743 1.00 0.00 WATR
+ATOM 613 OT HOH 62 -10.392 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 614 HT HOH 62 -9.6352 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 615 HT HOH 62 -11.149 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 616 OT HOH 63 -12.855 1.81228 32.7375 1.00 0.00 WATR
+ATOM 617 HT HOH 63 -12.098 2.39816 32.7375 1.00 0.00 WATR
+ATOM 618 HT HOH 63 -13.612 2.39816 32.7375 1.00 0.00 WATR
+ATOM 619 OT HOH 64 -12.855 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 620 HT HOH 64 -12.098 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 621 HT HOH 64 -13.612 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 622 OT HOH 65 -10.392 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 623 HT HOH 65 -9.6352 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 624 HT HOH 65 -11.149 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 625 OT HOH 66 -10.392 4.27548 -1.7473 1.00 0.00 WATR
+ATOM 626 HT HOH 66 -9.6352 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 627 HT HOH 66 -11.149 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 628 OT HOH 67 -12.855 6.73869 -1.7473 1.00 0.00 WATR
+ATOM 629 HT HOH 67 -12.098 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 630 HT HOH 67 -13.612 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 631 OT HOH 68 -12.855 4.27548 0.71587 1.00 0.00 WATR
+ATOM 632 HT HOH 68 -12.098 4.86136 0.71587 1.00 0.00 WATR
+ATOM 633 HT HOH 68 -13.612 4.86136 0.71587 1.00 0.00 WATR
+ATOM 634 OT HOH 69 -10.392 6.73869 0.71587 1.00 0.00 WATR
+ATOM 635 HT HOH 69 -9.6352 7.32457 0.71587 1.00 0.00 WATR
+ATOM 636 HT HOH 69 -11.149 7.32457 0.71587 1.00 0.00 WATR
+ATOM 637 OT HOH 70 -10.392 4.27548 3.17907 1.00 0.00 WATR
+ATOM 638 HT HOH 70 -9.6352 4.86136 3.17907 1.00 0.00 WATR
+ATOM 639 HT HOH 70 -11.149 4.86136 3.17907 1.00 0.00 WATR
+ATOM 640 OT HOH 71 -12.855 6.73869 3.17907 1.00 0.00 WATR
+ATOM 641 HT HOH 71 -12.098 7.32457 3.17907 1.00 0.00 WATR
+ATOM 642 HT HOH 71 -13.612 7.32457 3.17907 1.00 0.00 WATR
+ATOM 643 OT HOH 72 -12.855 4.27548 5.64228 1.00 0.00 WATR
+ATOM 644 HT HOH 72 -12.098 4.86136 5.64228 1.00 0.00 WATR
+ATOM 645 HT HOH 72 -13.612 4.86136 5.64228 1.00 0.00 WATR
+ATOM 646 OT HOH 73 -12.855 6.73869 13.0318 1.00 0.00 WATR
+ATOM 647 HT HOH 73 -12.098 7.32457 13.0318 1.00 0.00 WATR
+ATOM 648 HT HOH 73 -13.612 7.32457 13.0318 1.00 0.00 WATR
+ATOM 649 OT HOH 74 -12.855 4.27548 15.4951 1.00 0.00 WATR
+ATOM 650 HT HOH 74 -12.098 4.86136 15.4951 1.00 0.00 WATR
+ATOM 651 HT HOH 74 -13.612 4.86136 15.4951 1.00 0.00 WATR
+ATOM 652 OT HOH 75 -10.392 4.27548 17.9583 1.00 0.00 WATR
+ATOM 653 HT HOH 75 -9.6352 4.86136 17.9583 1.00 0.00 WATR
+ATOM 654 HT HOH 75 -11.149 4.86136 17.9583 1.00 0.00 WATR
+ATOM 655 OT HOH 76 -12.855 6.73869 17.9583 1.00 0.00 WATR
+ATOM 656 HT HOH 76 -12.098 7.32457 17.9583 1.00 0.00 WATR
+ATOM 657 HT HOH 76 -13.612 7.32457 17.9583 1.00 0.00 WATR
+ATOM 658 OT HOH 77 -12.855 4.27548 20.4215 1.00 0.00 WATR
+ATOM 659 HT HOH 77 -12.098 4.86136 20.4215 1.00 0.00 WATR
+ATOM 660 HT HOH 77 -13.612 4.86136 20.4215 1.00 0.00 WATR
+ATOM 661 OT HOH 78 -10.392 6.73869 20.4215 1.00 0.00 WATR
+ATOM 662 HT HOH 78 -9.6352 7.32457 20.4215 1.00 0.00 WATR
+ATOM 663 HT HOH 78 -11.149 7.32457 20.4215 1.00 0.00 WATR
+ATOM 664 OT HOH 79 -10.392 4.27548 22.8847 1.00 0.00 WATR
+ATOM 665 HT HOH 79 -9.6352 4.86136 22.8847 1.00 0.00 WATR
+ATOM 666 HT HOH 79 -11.149 4.86136 22.8847 1.00 0.00 WATR
+ATOM 667 OT HOH 80 -12.855 6.73869 22.8847 1.00 0.00 WATR
+ATOM 668 HT HOH 80 -12.098 7.32457 22.8847 1.00 0.00 WATR
+ATOM 669 HT HOH 80 -13.612 7.32457 22.8847 1.00 0.00 WATR
+ATOM 670 OT HOH 81 -12.855 4.27548 25.3479 1.00 0.00 WATR
+ATOM 671 HT HOH 81 -12.098 4.86136 25.3479 1.00 0.00 WATR
+ATOM 672 HT HOH 81 -13.612 4.86136 25.3479 1.00 0.00 WATR
+ATOM 673 OT HOH 82 -10.392 6.73869 25.3479 1.00 0.00 WATR
+ATOM 674 HT HOH 82 -9.6352 7.32457 25.3479 1.00 0.00 WATR
+ATOM 675 HT HOH 82 -11.149 7.32457 25.3479 1.00 0.00 WATR
+ATOM 676 OT HOH 83 -10.392 4.27548 27.8111 1.00 0.00 WATR
+ATOM 677 HT HOH 83 -9.6352 4.86136 27.8111 1.00 0.00 WATR
+ATOM 678 HT HOH 83 -11.149 4.86136 27.8111 1.00 0.00 WATR
+ATOM 679 OT HOH 84 -12.855 6.73869 27.8111 1.00 0.00 WATR
+ATOM 680 HT HOH 84 -12.098 7.32457 27.8111 1.00 0.00 WATR
+ATOM 681 HT HOH 84 -13.612 7.32457 27.8111 1.00 0.00 WATR
+ATOM 682 OT HOH 85 -12.855 4.27548 30.2743 1.00 0.00 WATR
+ATOM 683 HT HOH 85 -12.098 4.86136 30.2743 1.00 0.00 WATR
+ATOM 684 HT HOH 85 -13.612 4.86136 30.2743 1.00 0.00 WATR
+ATOM 685 OT HOH 86 -10.392 6.73869 30.2743 1.00 0.00 WATR
+ATOM 686 HT HOH 86 -9.6352 7.32457 30.2743 1.00 0.00 WATR
+ATOM 687 HT HOH 86 -11.149 7.32457 30.2743 1.00 0.00 WATR
+ATOM 688 OT HOH 87 -10.392 4.27548 32.7375 1.00 0.00 WATR
+ATOM 689 HT HOH 87 -9.6352 4.86136 32.7375 1.00 0.00 WATR
+ATOM 690 HT HOH 87 -11.149 4.86136 32.7375 1.00 0.00 WATR
+ATOM 691 OT HOH 88 -12.855 6.73869 32.7375 1.00 0.00 WATR
+ATOM 692 HT HOH 88 -12.098 7.32457 32.7375 1.00 0.00 WATR
+ATOM 693 HT HOH 88 -13.612 7.32457 32.7375 1.00 0.00 WATR
+ATOM 694 OT HOH 89 -12.855 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 695 HT HOH 89 -12.098 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 696 HT HOH 89 -13.612 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 697 OT HOH 90 -10.392 11.6651 -4.2105 1.00 0.00 WATR
+ATOM 698 HT HOH 90 -9.6352 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 699 HT HOH 90 -11.149 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 700 OT HOH 91 -10.392 9.20189 -1.7473 1.00 0.00 WATR
+ATOM 701 HT HOH 91 -9.6352 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 702 HT HOH 91 -11.149 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 703 OT HOH 92 -12.855 11.6651 -1.7473 1.00 0.00 WATR
+ATOM 704 HT HOH 92 -12.098 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 705 HT HOH 92 -13.612 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 706 OT HOH 93 -12.855 9.20189 0.71587 1.00 0.00 WATR
+ATOM 707 HT HOH 93 -12.098 9.78777 0.71587 1.00 0.00 WATR
+ATOM 708 HT HOH 93 -13.612 9.78777 0.71587 1.00 0.00 WATR
+ATOM 709 OT HOH 94 -10.392 11.6651 10.5686 1.00 0.00 WATR
+ATOM 710 HT HOH 94 -9.6352 12.2509 10.5686 1.00 0.00 WATR
+ATOM 711 HT HOH 94 -11.149 12.2509 10.5686 1.00 0.00 WATR
+ATOM 712 OT HOH 95 -12.855 11.6651 13.0318 1.00 0.00 WATR
+ATOM 713 HT HOH 95 -12.098 12.2509 13.0318 1.00 0.00 WATR
+ATOM 714 HT HOH 95 -13.612 12.2509 13.0318 1.00 0.00 WATR
+ATOM 715 OT HOH 96 -12.855 9.20189 15.4951 1.00 0.00 WATR
+ATOM 716 HT HOH 96 -12.098 9.78777 15.4951 1.00 0.00 WATR
+ATOM 717 HT HOH 96 -13.612 9.78777 15.4951 1.00 0.00 WATR
+ATOM 718 OT HOH 97 -10.392 11.6651 15.4951 1.00 0.00 WATR
+ATOM 719 HT HOH 97 -9.6352 12.2509 15.4951 1.00 0.00 WATR
+ATOM 720 HT HOH 97 -11.149 12.2509 15.4951 1.00 0.00 WATR
+ATOM 721 OT HOH 98 -10.392 9.20189 17.9583 1.00 0.00 WATR
+ATOM 722 HT HOH 98 -9.6352 9.78777 17.9583 1.00 0.00 WATR
+ATOM 723 HT HOH 98 -11.149 9.78777 17.9583 1.00 0.00 WATR
+ATOM 724 OT HOH 99 -12.855 11.6651 17.9583 1.00 0.00 WATR
+ATOM 725 HT HOH 99 -12.098 12.2509 17.9583 1.00 0.00 WATR
+ATOM 726 HT HOH 99 -13.612 12.2509 17.9583 1.00 0.00 WATR
+ATOM 727 OT HOH 100 -12.855 9.20189 20.4215 1.00 0.00 WATR
+ATOM 728 HT HOH 100 -12.098 9.78777 20.4215 1.00 0.00 WATR
+ATOM 729 HT HOH 100 -13.612 9.78777 20.4215 1.00 0.00 WATR
+ATOM 730 OT HOH 101 -12.855 9.20189 25.3479 1.00 0.00 WATR
+ATOM 731 HT HOH 101 -12.098 9.78777 25.3479 1.00 0.00 WATR
+ATOM 732 HT HOH 101 -13.612 9.78777 25.3479 1.00 0.00 WATR
+ATOM 733 OT HOH 102 -10.392 9.20189 27.8111 1.00 0.00 WATR
+ATOM 734 HT HOH 102 -9.6352 9.78777 27.8111 1.00 0.00 WATR
+ATOM 735 HT HOH 102 -11.149 9.78777 27.8111 1.00 0.00 WATR
+ATOM 736 OT HOH 103 -12.855 11.6651 27.8111 1.00 0.00 WATR
+ATOM 737 HT HOH 103 -12.098 12.2509 27.8111 1.00 0.00 WATR
+ATOM 738 HT HOH 103 -13.612 12.2509 27.8111 1.00 0.00 WATR
+ATOM 739 SOD ION 104 -12.855 9.20189 30.2743 1.00 0.00 SALT
ATOM 740 OT HOH 105 -10.392 11.6651 30.2743 1.00 0.00 WATR
ATOM 741 HT HOH 105 -9.6352 12.2509 30.2743 1.00 0.00 WATR
ATOM 742 HT HOH 105 -11.149 12.2509 30.2743 1.00 0.00 WATR
@@ -786,46 +786,46 @@ ATOM 781 HT HOH 118 -11.149 14.7141 27.8111 1.00 0.00 WATR
ATOM 782 OT HOH 119 -12.855 16.5915 27.8111 1.00 0.00 WATR
ATOM 783 HT HOH 119 -12.098 17.1773 27.8111 1.00 0.00 WATR
ATOM 784 HT HOH 119 -13.612 17.1773 27.8111 1.00 0.00 WATR
-ATOM 785 OT HOH 120 -12.855 14.1283 30.2743 1.00 0.00 WATR
-ATOM 786 HT HOH 120 -12.098 14.7141 30.2743 1.00 0.00 WATR
-ATOM 787 HT HOH 120 -13.612 14.7141 30.2743 1.00 0.00 WATR
-ATOM 788 OT HOH 121 -10.392 16.5915 30.2743 1.00 0.00 WATR
-ATOM 789 HT HOH 121 -9.6352 17.1773 30.2743 1.00 0.00 WATR
-ATOM 790 HT HOH 121 -11.149 17.1773 30.2743 1.00 0.00 WATR
-ATOM 791 OT HOH 122 -10.392 14.1283 32.7375 1.00 0.00 WATR
-ATOM 792 HT HOH 122 -9.6352 14.7141 32.7375 1.00 0.00 WATR
-ATOM 793 HT HOH 122 -11.149 14.7141 32.7375 1.00 0.00 WATR
-ATOM 794 OT HOH 123 -12.855 16.5915 32.7375 1.00 0.00 WATR
-ATOM 795 HT HOH 123 -12.098 17.1773 32.7375 1.00 0.00 WATR
-ATOM 796 HT HOH 123 -13.612 17.1773 32.7375 1.00 0.00 WATR
-ATOM 797 OT HOH 124 -12.855 19.0547 -4.2105 1.00 0.00 WATR
-ATOM 798 HT HOH 124 -12.098 19.6406 -4.2105 1.00 0.00 WATR
-ATOM 799 HT HOH 124 -13.612 19.6406 -4.2105 1.00 0.00 WATR
-ATOM 800 OT HOH 125 -10.392 21.5179 -4.2105 1.00 0.00 WATR
-ATOM 801 HT HOH 125 -9.6352 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 802 HT HOH 125 -11.149 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 803 OT HOH 126 -10.392 19.0547 -1.7473 1.00 0.00 WATR
-ATOM 804 HT HOH 126 -9.6352 19.6406 -1.7473 1.00 0.00 WATR
-ATOM 805 HT HOH 126 -11.149 19.6406 -1.7473 1.00 0.00 WATR
-ATOM 806 OT HOH 127 -12.855 21.5179 -1.7473 1.00 0.00 WATR
-ATOM 807 HT HOH 127 -12.098 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 808 HT HOH 127 -13.612 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 809 OT HOH 128 -12.855 19.0547 0.71587 1.00 0.00 WATR
-ATOM 810 HT HOH 128 -12.098 19.6406 0.71587 1.00 0.00 WATR
-ATOM 811 HT HOH 128 -13.612 19.6406 0.71587 1.00 0.00 WATR
-ATOM 812 OT HOH 129 -10.392 21.5179 0.71587 1.00 0.00 WATR
-ATOM 813 HT HOH 129 -9.6352 22.1038 0.71587 1.00 0.00 WATR
-ATOM 814 HT HOH 129 -11.149 22.1038 0.71587 1.00 0.00 WATR
-ATOM 815 OT HOH 130 -10.392 19.0547 3.17907 1.00 0.00 WATR
-ATOM 816 HT HOH 130 -9.6352 19.6406 3.17907 1.00 0.00 WATR
-ATOM 817 HT HOH 130 -11.149 19.6406 3.17907 1.00 0.00 WATR
-ATOM 818 OT HOH 131 -12.855 21.5179 3.17907 1.00 0.00 WATR
-ATOM 819 HT HOH 131 -12.098 22.1038 3.17907 1.00 0.00 WATR
-ATOM 820 HT HOH 131 -13.612 22.1038 3.17907 1.00 0.00 WATR
-ATOM 821 OT HOH 132 -12.855 19.0547 5.64228 1.00 0.00 WATR
-ATOM 822 HT HOH 132 -12.098 19.6406 5.64228 1.00 0.00 WATR
-ATOM 823 HT HOH 132 -13.612 19.6406 5.64228 1.00 0.00 WATR
-ATOM 824 SOD ION 133 -10.392 21.5179 5.64228 1.00 0.00 SALT
+ATOM 785 SOD ION 120 -12.855 14.1283 30.2743 1.00 0.00 SALT
+ATOM 786 OT HOH 121 -10.392 16.5915 30.2743 1.00 0.00 WATR
+ATOM 787 HT HOH 121 -9.6352 17.1773 30.2743 1.00 0.00 WATR
+ATOM 788 HT HOH 121 -11.149 17.1773 30.2743 1.00 0.00 WATR
+ATOM 789 OT HOH 122 -10.392 14.1283 32.7375 1.00 0.00 WATR
+ATOM 790 HT HOH 122 -9.6352 14.7141 32.7375 1.00 0.00 WATR
+ATOM 791 HT HOH 122 -11.149 14.7141 32.7375 1.00 0.00 WATR
+ATOM 792 OT HOH 123 -12.855 16.5915 32.7375 1.00 0.00 WATR
+ATOM 793 HT HOH 123 -12.098 17.1773 32.7375 1.00 0.00 WATR
+ATOM 794 HT HOH 123 -13.612 17.1773 32.7375 1.00 0.00 WATR
+ATOM 795 OT HOH 124 -12.855 19.0547 -4.2105 1.00 0.00 WATR
+ATOM 796 HT HOH 124 -12.098 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 797 HT HOH 124 -13.612 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 798 OT HOH 125 -10.392 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 799 HT HOH 125 -9.6352 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 800 HT HOH 125 -11.149 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 801 OT HOH 126 -10.392 19.0547 -1.7473 1.00 0.00 WATR
+ATOM 802 HT HOH 126 -9.6352 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 803 HT HOH 126 -11.149 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 804 OT HOH 127 -12.855 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 805 HT HOH 127 -12.098 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 806 HT HOH 127 -13.612 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 807 OT HOH 128 -12.855 19.0547 0.71587 1.00 0.00 WATR
+ATOM 808 HT HOH 128 -12.098 19.6406 0.71587 1.00 0.00 WATR
+ATOM 809 HT HOH 128 -13.612 19.6406 0.71587 1.00 0.00 WATR
+ATOM 810 OT HOH 129 -10.392 21.5179 0.71587 1.00 0.00 WATR
+ATOM 811 HT HOH 129 -9.6352 22.1038 0.71587 1.00 0.00 WATR
+ATOM 812 HT HOH 129 -11.149 22.1038 0.71587 1.00 0.00 WATR
+ATOM 813 OT HOH 130 -10.392 19.0547 3.17907 1.00 0.00 WATR
+ATOM 814 HT HOH 130 -9.6352 19.6406 3.17907 1.00 0.00 WATR
+ATOM 815 HT HOH 130 -11.149 19.6406 3.17907 1.00 0.00 WATR
+ATOM 816 OT HOH 131 -12.855 21.5179 3.17907 1.00 0.00 WATR
+ATOM 817 HT HOH 131 -12.098 22.1038 3.17907 1.00 0.00 WATR
+ATOM 818 HT HOH 131 -13.612 22.1038 3.17907 1.00 0.00 WATR
+ATOM 819 OT HOH 132 -12.855 19.0547 5.64228 1.00 0.00 WATR
+ATOM 820 HT HOH 132 -12.098 19.6406 5.64228 1.00 0.00 WATR
+ATOM 821 HT HOH 132 -13.612 19.6406 5.64228 1.00 0.00 WATR
+ATOM 822 OT HOH 133 -10.392 21.5179 5.64228 1.00 0.00 WATR
+ATOM 823 HT HOH 133 -9.6352 22.1038 5.64228 1.00 0.00 WATR
+ATOM 824 HT HOH 133 -11.149 22.1038 5.64228 1.00 0.00 WATR
ATOM 825 OT HOH 134 -10.392 19.0547 8.10548 1.00 0.00 WATR
ATOM 826 HT HOH 134 -9.6352 19.6406 8.10548 1.00 0.00 WATR
ATOM 827 HT HOH 134 -11.149 19.6406 8.10548 1.00 0.00 WATR
@@ -859,1114 +859,1114 @@ ATOM 854 HT HOH 143 -11.149 19.6406 22.8847 1.00 0.00 WATR
ATOM 855 OT HOH 144 -12.855 21.5179 22.8847 1.00 0.00 WATR
ATOM 856 HT HOH 144 -12.098 22.1038 22.8847 1.00 0.00 WATR
ATOM 857 HT HOH 144 -13.612 22.1038 22.8847 1.00 0.00 WATR
-ATOM 858 SOD ION 145 -12.855 19.0547 25.3479 1.00 0.00 SALT
-ATOM 859 OT HOH 146 -10.392 21.5179 25.3479 1.00 0.00 WATR
-ATOM 860 HT HOH 146 -9.6352 22.1038 25.3479 1.00 0.00 WATR
-ATOM 861 HT HOH 146 -11.149 22.1038 25.3479 1.00 0.00 WATR
-ATOM 862 OT HOH 147 -10.392 19.0547 27.8111 1.00 0.00 WATR
-ATOM 863 HT HOH 147 -9.6352 19.6406 27.8111 1.00 0.00 WATR
-ATOM 864 HT HOH 147 -11.149 19.6406 27.8111 1.00 0.00 WATR
-ATOM 865 SOD ION 148 -12.855 21.5179 27.8111 1.00 0.00 SALT
-ATOM 866 OT HOH 149 -12.855 19.0547 30.2743 1.00 0.00 WATR
-ATOM 867 HT HOH 149 -12.098 19.6406 30.2743 1.00 0.00 WATR
-ATOM 868 HT HOH 149 -13.612 19.6406 30.2743 1.00 0.00 WATR
-ATOM 869 OT HOH 150 -10.392 21.5179 30.2743 1.00 0.00 WATR
-ATOM 870 HT HOH 150 -9.6352 22.1038 30.2743 1.00 0.00 WATR
-ATOM 871 HT HOH 150 -11.149 22.1038 30.2743 1.00 0.00 WATR
-ATOM 872 OT HOH 151 -10.392 19.0547 32.7375 1.00 0.00 WATR
-ATOM 873 HT HOH 151 -9.6352 19.6406 32.7375 1.00 0.00 WATR
-ATOM 874 HT HOH 151 -11.149 19.6406 32.7375 1.00 0.00 WATR
-ATOM 875 OT HOH 152 -12.855 21.5179 32.7375 1.00 0.00 WATR
-ATOM 876 HT HOH 152 -12.098 22.1038 32.7375 1.00 0.00 WATR
-ATOM 877 HT HOH 152 -13.612 22.1038 32.7375 1.00 0.00 WATR
-ATOM 878 OT HOH 153 -7.9290 -0.6509 -4.2105 1.00 0.00 WATR
-ATOM 879 HT HOH 153 -7.1720 -0.0650 -4.2105 1.00 0.00 WATR
-ATOM 880 HT HOH 153 -8.6859 -0.0650 -4.2105 1.00 0.00 WATR
-ATOM 881 OT HOH 154 -5.4658 1.81228 -4.2105 1.00 0.00 WATR
-ATOM 882 HT HOH 154 -4.7088 2.39816 -4.2105 1.00 0.00 WATR
-ATOM 883 HT HOH 154 -6.2227 2.39816 -4.2105 1.00 0.00 WATR
-ATOM 884 OT HOH 155 -5.4658 -0.6509 -1.7473 1.00 0.00 WATR
-ATOM 885 HT HOH 155 -4.7088 -0.0650 -1.7473 1.00 0.00 WATR
-ATOM 886 HT HOH 155 -6.2227 -0.0650 -1.7473 1.00 0.00 WATR
-ATOM 887 OT HOH 156 -7.9290 1.81228 -1.7473 1.00 0.00 WATR
-ATOM 888 HT HOH 156 -7.1720 2.39816 -1.7473 1.00 0.00 WATR
-ATOM 889 HT HOH 156 -8.6859 2.39816 -1.7473 1.00 0.00 WATR
-ATOM 890 OT HOH 157 -7.9290 -0.6509 0.71587 1.00 0.00 WATR
-ATOM 891 HT HOH 157 -7.1720 -0.0650 0.71587 1.00 0.00 WATR
-ATOM 892 HT HOH 157 -8.6859 -0.0650 0.71587 1.00 0.00 WATR
-ATOM 893 OT HOH 158 -5.4658 1.81228 0.71587 1.00 0.00 WATR
-ATOM 894 HT HOH 158 -4.7088 2.39816 0.71587 1.00 0.00 WATR
-ATOM 895 HT HOH 158 -6.2227 2.39816 0.71587 1.00 0.00 WATR
-ATOM 896 OT HOH 159 -5.4658 -0.6509 3.17907 1.00 0.00 WATR
-ATOM 897 HT HOH 159 -4.7088 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 898 HT HOH 159 -6.2227 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 899 OT HOH 160 -7.9290 1.81228 3.17907 1.00 0.00 WATR
-ATOM 900 HT HOH 160 -7.1720 2.39816 3.17907 1.00 0.00 WATR
-ATOM 901 HT HOH 160 -8.6859 2.39816 3.17907 1.00 0.00 WATR
-ATOM 902 OT HOH 161 -7.9290 -0.6509 5.64228 1.00 0.00 WATR
-ATOM 903 HT HOH 161 -7.1720 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 904 HT HOH 161 -8.6859 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 905 OT HOH 162 -5.4658 1.81228 5.64228 1.00 0.00 WATR
-ATOM 906 HT HOH 162 -4.7088 2.39816 5.64228 1.00 0.00 WATR
-ATOM 907 HT HOH 162 -6.2227 2.39816 5.64228 1.00 0.00 WATR
-ATOM 908 OT HOH 163 -5.4658 -0.6509 8.10548 1.00 0.00 WATR
-ATOM 909 HT HOH 163 -4.7088 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 910 HT HOH 163 -6.2227 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 911 OT HOH 164 -7.9290 -0.6509 10.5686 1.00 0.00 WATR
-ATOM 912 HT HOH 164 -7.1720 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 913 HT HOH 164 -8.6859 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 914 OT HOH 165 -5.4658 1.81228 10.5686 1.00 0.00 WATR
-ATOM 915 HT HOH 165 -4.7088 2.39816 10.5686 1.00 0.00 WATR
-ATOM 916 HT HOH 165 -6.2227 2.39816 10.5686 1.00 0.00 WATR
-ATOM 917 OT HOH 166 -5.4658 -0.6509 17.9583 1.00 0.00 WATR
-ATOM 918 HT HOH 166 -4.7088 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 919 HT HOH 166 -6.2227 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 920 OT HOH 167 -7.9290 1.81228 17.9583 1.00 0.00 WATR
-ATOM 921 HT HOH 167 -7.1720 2.39816 17.9583 1.00 0.00 WATR
-ATOM 922 HT HOH 167 -8.6859 2.39816 17.9583 1.00 0.00 WATR
-ATOM 923 OT HOH 168 -7.9290 -0.6509 20.4215 1.00 0.00 WATR
-ATOM 924 HT HOH 168 -7.1720 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 925 HT HOH 168 -8.6859 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 926 OT HOH 169 -5.4658 -0.6509 22.8847 1.00 0.00 WATR
-ATOM 927 HT HOH 169 -4.7088 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 928 HT HOH 169 -6.2227 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 929 OT HOH 170 -7.9290 1.81228 22.8847 1.00 0.00 WATR
-ATOM 930 HT HOH 170 -7.1720 2.39816 22.8847 1.00 0.00 WATR
-ATOM 931 HT HOH 170 -8.6859 2.39816 22.8847 1.00 0.00 WATR
-ATOM 932 OT HOH 171 -7.9290 -0.6509 25.3479 1.00 0.00 WATR
-ATOM 933 HT HOH 171 -7.1720 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 934 HT HOH 171 -8.6859 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 935 OT HOH 172 -5.4658 1.81228 25.3479 1.00 0.00 WATR
-ATOM 936 HT HOH 172 -4.7088 2.39816 25.3479 1.00 0.00 WATR
-ATOM 937 HT HOH 172 -6.2227 2.39816 25.3479 1.00 0.00 WATR
-ATOM 938 OT HOH 173 -5.4658 -0.6509 27.8111 1.00 0.00 WATR
-ATOM 939 HT HOH 173 -4.7088 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 940 HT HOH 173 -6.2227 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 941 OT HOH 174 -7.9290 1.81228 27.8111 1.00 0.00 WATR
-ATOM 942 HT HOH 174 -7.1720 2.39816 27.8111 1.00 0.00 WATR
-ATOM 943 HT HOH 174 -8.6859 2.39816 27.8111 1.00 0.00 WATR
-ATOM 944 OT HOH 175 -7.9290 -0.6509 30.2743 1.00 0.00 WATR
-ATOM 945 HT HOH 175 -7.1720 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 946 HT HOH 175 -8.6859 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 947 OT HOH 176 -5.4658 1.81228 30.2743 1.00 0.00 WATR
-ATOM 948 HT HOH 176 -4.7088 2.39816 30.2743 1.00 0.00 WATR
-ATOM 949 HT HOH 176 -6.2227 2.39816 30.2743 1.00 0.00 WATR
-ATOM 950 OT HOH 177 -5.4658 -0.6509 32.7375 1.00 0.00 WATR
-ATOM 951 HT HOH 177 -4.7088 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 952 HT HOH 177 -6.2227 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 953 OT HOH 178 -7.9290 1.81228 32.7375 1.00 0.00 WATR
-ATOM 954 HT HOH 178 -7.1720 2.39816 32.7375 1.00 0.00 WATR
-ATOM 955 HT HOH 178 -8.6859 2.39816 32.7375 1.00 0.00 WATR
-ATOM 956 OT HOH 179 -7.9290 4.27548 -4.2105 1.00 0.00 WATR
-ATOM 957 HT HOH 179 -7.1720 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 958 HT HOH 179 -8.6859 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 959 OT HOH 180 -5.4658 6.73869 -4.2105 1.00 0.00 WATR
-ATOM 960 HT HOH 180 -4.7088 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 961 HT HOH 180 -6.2227 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 962 OT HOH 181 -5.4658 4.27548 -1.7473 1.00 0.00 WATR
-ATOM 963 HT HOH 181 -4.7088 4.86136 -1.7473 1.00 0.00 WATR
-ATOM 964 HT HOH 181 -6.2227 4.86136 -1.7473 1.00 0.00 WATR
-ATOM 965 OT HOH 182 -7.9290 6.73869 -1.7473 1.00 0.00 WATR
-ATOM 966 HT HOH 182 -7.1720 7.32457 -1.7473 1.00 0.00 WATR
-ATOM 967 HT HOH 182 -8.6859 7.32457 -1.7473 1.00 0.00 WATR
-ATOM 968 OT HOH 183 -7.9290 4.27548 0.71587 1.00 0.00 WATR
-ATOM 969 HT HOH 183 -7.1720 4.86136 0.71587 1.00 0.00 WATR
-ATOM 970 HT HOH 183 -8.6859 4.86136 0.71587 1.00 0.00 WATR
-ATOM 971 OT HOH 184 -5.4658 6.73869 0.71587 1.00 0.00 WATR
-ATOM 972 HT HOH 184 -4.7088 7.32457 0.71587 1.00 0.00 WATR
-ATOM 973 HT HOH 184 -6.2227 7.32457 0.71587 1.00 0.00 WATR
-ATOM 974 OT HOH 185 -5.4658 4.27548 3.17907 1.00 0.00 WATR
-ATOM 975 HT HOH 185 -4.7088 4.86136 3.17907 1.00 0.00 WATR
-ATOM 976 HT HOH 185 -6.2227 4.86136 3.17907 1.00 0.00 WATR
-ATOM 977 OT HOH 186 -7.9290 6.73869 3.17907 1.00 0.00 WATR
-ATOM 978 HT HOH 186 -7.1720 7.32457 3.17907 1.00 0.00 WATR
-ATOM 979 HT HOH 186 -8.6859 7.32457 3.17907 1.00 0.00 WATR
-ATOM 980 OT HOH 187 -7.9290 4.27548 5.64228 1.00 0.00 WATR
-ATOM 981 HT HOH 187 -7.1720 4.86136 5.64228 1.00 0.00 WATR
-ATOM 982 HT HOH 187 -8.6859 4.86136 5.64228 1.00 0.00 WATR
-ATOM 983 OT HOH 188 -7.9290 6.73869 17.9583 1.00 0.00 WATR
-ATOM 984 HT HOH 188 -7.1720 7.32457 17.9583 1.00 0.00 WATR
-ATOM 985 HT HOH 188 -8.6859 7.32457 17.9583 1.00 0.00 WATR
-ATOM 986 OT HOH 189 -7.9290 4.27548 20.4215 1.00 0.00 WATR
-ATOM 987 HT HOH 189 -7.1720 4.86136 20.4215 1.00 0.00 WATR
-ATOM 988 HT HOH 189 -8.6859 4.86136 20.4215 1.00 0.00 WATR
-ATOM 989 OT HOH 190 -7.9290 4.27548 25.3479 1.00 0.00 WATR
-ATOM 990 HT HOH 190 -7.1720 4.86136 25.3479 1.00 0.00 WATR
-ATOM 991 HT HOH 190 -8.6859 4.86136 25.3479 1.00 0.00 WATR
-ATOM 992 OT HOH 191 -5.4658 4.27548 27.8111 1.00 0.00 WATR
-ATOM 993 HT HOH 191 -4.7088 4.86136 27.8111 1.00 0.00 WATR
-ATOM 994 HT HOH 191 -6.2227 4.86136 27.8111 1.00 0.00 WATR
-ATOM 995 OT HOH 192 -7.9290 4.27548 30.2743 1.00 0.00 WATR
-ATOM 996 HT HOH 192 -7.1720 4.86136 30.2743 1.00 0.00 WATR
-ATOM 997 HT HOH 192 -8.6859 4.86136 30.2743 1.00 0.00 WATR
-ATOM 998 OT HOH 193 -5.4658 6.73869 30.2743 1.00 0.00 WATR
-ATOM 999 HT HOH 193 -4.7088 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1000 HT HOH 193 -6.2227 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1001 OT HOH 194 -5.4658 4.27548 32.7375 1.00 0.00 WATR
-ATOM 1002 HT HOH 194 -4.7088 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1003 HT HOH 194 -6.2227 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1004 OT HOH 195 -7.9290 6.73869 32.7375 1.00 0.00 WATR
-ATOM 1005 HT HOH 195 -7.1720 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1006 HT HOH 195 -8.6859 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1007 OT HOH 196 -7.9290 9.20189 -4.2105 1.00 0.00 WATR
-ATOM 1008 HT HOH 196 -7.1720 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 1009 HT HOH 196 -8.6859 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 1010 SOD ION 197 -7.9290 9.20189 0.71587 1.00 0.00 SALT
-ATOM 1011 OT HOH 198 -7.9290 9.20189 15.4951 1.00 0.00 WATR
-ATOM 1012 HT HOH 198 -7.1720 9.78777 15.4951 1.00 0.00 WATR
-ATOM 1013 HT HOH 198 -8.6859 9.78777 15.4951 1.00 0.00 WATR
-ATOM 1014 OT HOH 199 -5.4658 9.20189 32.7375 1.00 0.00 WATR
-ATOM 1015 HT HOH 199 -4.7088 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1016 HT HOH 199 -6.2227 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1017 OT HOH 200 -7.9290 11.6651 32.7375 1.00 0.00 WATR
-ATOM 1018 HT HOH 200 -7.1720 12.2509 32.7375 1.00 0.00 WATR
-ATOM 1019 HT HOH 200 -8.6859 12.2509 32.7375 1.00 0.00 WATR
-ATOM 1020 OT HOH 201 -7.9290 14.1283 -4.2105 1.00 0.00 WATR
-ATOM 1021 HT HOH 201 -7.1720 14.7141 -4.2105 1.00 0.00 WATR
-ATOM 1022 HT HOH 201 -8.6859 14.7141 -4.2105 1.00 0.00 WATR
-ATOM 1023 OT HOH 202 -7.9290 16.5915 8.10548 1.00 0.00 WATR
-ATOM 1024 HT HOH 202 -7.1720 17.1773 8.10548 1.00 0.00 WATR
-ATOM 1025 HT HOH 202 -8.6859 17.1773 8.10548 1.00 0.00 WATR
-ATOM 1026 OT HOH 203 -7.9290 14.1283 10.5686 1.00 0.00 WATR
-ATOM 1027 HT HOH 203 -7.1720 14.7141 10.5686 1.00 0.00 WATR
-ATOM 1028 HT HOH 203 -8.6859 14.7141 10.5686 1.00 0.00 WATR
-ATOM 1029 OT HOH 204 -7.9290 16.5915 27.8111 1.00 0.00 WATR
-ATOM 1030 HT HOH 204 -7.1720 17.1773 27.8111 1.00 0.00 WATR
-ATOM 1031 HT HOH 204 -8.6859 17.1773 27.8111 1.00 0.00 WATR
-ATOM 1032 OT HOH 205 -7.9290 14.1283 30.2743 1.00 0.00 WATR
-ATOM 1033 HT HOH 205 -7.1720 14.7141 30.2743 1.00 0.00 WATR
-ATOM 1034 HT HOH 205 -8.6859 14.7141 30.2743 1.00 0.00 WATR
-ATOM 1035 OT HOH 206 -5.4658 16.5915 30.2743 1.00 0.00 WATR
-ATOM 1036 HT HOH 206 -4.7088 17.1773 30.2743 1.00 0.00 WATR
-ATOM 1037 HT HOH 206 -6.2227 17.1773 30.2743 1.00 0.00 WATR
-ATOM 1038 OT HOH 207 -7.9290 16.5915 32.7375 1.00 0.00 WATR
-ATOM 1039 HT HOH 207 -7.1720 17.1773 32.7375 1.00 0.00 WATR
-ATOM 1040 HT HOH 207 -8.6859 17.1773 32.7375 1.00 0.00 WATR
-ATOM 1041 OT HOH 208 -7.9290 19.0547 -4.2105 1.00 0.00 WATR
-ATOM 1042 HT HOH 208 -7.1720 19.6406 -4.2105 1.00 0.00 WATR
-ATOM 1043 HT HOH 208 -8.6859 19.6406 -4.2105 1.00 0.00 WATR
-ATOM 1044 OT HOH 209 -5.4658 21.5179 -4.2105 1.00 0.00 WATR
-ATOM 1045 HT HOH 209 -4.7088 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1046 HT HOH 209 -6.2227 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1047 OT HOH 210 -7.9290 21.5179 -1.7473 1.00 0.00 WATR
-ATOM 1048 HT HOH 210 -7.1720 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1049 HT HOH 210 -8.6859 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1050 OT HOH 211 -7.9290 21.5179 3.17907 1.00 0.00 WATR
-ATOM 1051 HT HOH 211 -7.1720 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1052 HT HOH 211 -8.6859 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1053 OT HOH 212 -7.9290 19.0547 5.64228 1.00 0.00 WATR
-ATOM 1054 HT HOH 212 -7.1720 19.6406 5.64228 1.00 0.00 WATR
-ATOM 1055 HT HOH 212 -8.6859 19.6406 5.64228 1.00 0.00 WATR
-ATOM 1056 OT HOH 213 -5.4658 21.5179 5.64228 1.00 0.00 WATR
-ATOM 1057 HT HOH 213 -4.7088 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1058 HT HOH 213 -6.2227 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1059 OT HOH 214 -7.9290 21.5179 8.10548 1.00 0.00 WATR
-ATOM 1060 HT HOH 214 -7.1720 22.1038 8.10548 1.00 0.00 WATR
-ATOM 1061 HT HOH 214 -8.6859 22.1038 8.10548 1.00 0.00 WATR
-ATOM 1062 SOD ION 215 -5.4658 21.5179 20.4215 1.00 0.00 SALT
-ATOM 1063 OT HOH 216 -7.9290 21.5179 22.8847 1.00 0.00 WATR
-ATOM 1064 HT HOH 216 -7.1720 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1065 HT HOH 216 -8.6859 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1066 OT HOH 217 -5.4658 21.5179 25.3479 1.00 0.00 WATR
-ATOM 1067 HT HOH 217 -4.7088 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1068 HT HOH 217 -6.2227 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1069 OT HOH 218 -5.4658 19.0547 27.8111 1.00 0.00 WATR
-ATOM 1070 HT HOH 218 -4.7088 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1071 HT HOH 218 -6.2227 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1072 OT HOH 219 -7.9290 21.5179 27.8111 1.00 0.00 WATR
-ATOM 1073 HT HOH 219 -7.1720 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1074 HT HOH 219 -8.6859 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1075 OT HOH 220 -7.9290 19.0547 30.2743 1.00 0.00 WATR
-ATOM 1076 HT HOH 220 -7.1720 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1077 HT HOH 220 -8.6859 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1078 OT HOH 221 -5.4658 21.5179 30.2743 1.00 0.00 WATR
-ATOM 1079 HT HOH 221 -4.7088 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1080 HT HOH 221 -6.2227 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1081 OT HOH 222 -5.4658 19.0547 32.7375 1.00 0.00 WATR
-ATOM 1082 HT HOH 222 -4.7088 19.6406 32.7375 1.00 0.00 WATR
-ATOM 1083 HT HOH 222 -6.2227 19.6406 32.7375 1.00 0.00 WATR
-ATOM 1084 OT HOH 223 -7.9290 21.5179 32.7375 1.00 0.00 WATR
-ATOM 1085 HT HOH 223 -7.1720 22.1038 32.7375 1.00 0.00 WATR
-ATOM 1086 HT HOH 223 -8.6859 22.1038 32.7375 1.00 0.00 WATR
-ATOM 1087 OT HOH 224 -3.0026 -0.6509 -4.2105 1.00 0.00 WATR
-ATOM 1088 HT HOH 224 -2.2456 -0.0650 -4.2105 1.00 0.00 WATR
-ATOM 1089 HT HOH 224 -3.7595 -0.0650 -4.2105 1.00 0.00 WATR
-ATOM 1090 OT HOH 225 -0.5393 1.81228 -4.2105 1.00 0.00 WATR
-ATOM 1091 HT HOH 225 0.21755 2.39816 -4.2105 1.00 0.00 WATR
-ATOM 1092 HT HOH 225 -1.2963 2.39816 -4.2105 1.00 0.00 WATR
-ATOM 1093 OT HOH 226 -0.5393 -0.6509 -1.7473 1.00 0.00 WATR
-ATOM 1094 HT HOH 226 0.21755 -0.0650 -1.7473 1.00 0.00 WATR
-ATOM 1095 HT HOH 226 -1.2963 -0.0650 -1.7473 1.00 0.00 WATR
-ATOM 1096 OT HOH 227 -3.0026 1.81228 -1.7473 1.00 0.00 WATR
-ATOM 1097 HT HOH 227 -2.2456 2.39816 -1.7473 1.00 0.00 WATR
-ATOM 1098 HT HOH 227 -3.7595 2.39816 -1.7473 1.00 0.00 WATR
-ATOM 1099 OT HOH 228 -3.0026 -0.6509 0.71587 1.00 0.00 WATR
-ATOM 1100 HT HOH 228 -2.2456 -0.0650 0.71587 1.00 0.00 WATR
-ATOM 1101 HT HOH 228 -3.7595 -0.0650 0.71587 1.00 0.00 WATR
-ATOM 1102 OT HOH 229 -0.5393 1.81228 0.71587 1.00 0.00 WATR
-ATOM 1103 HT HOH 229 0.21755 2.39816 0.71587 1.00 0.00 WATR
-ATOM 1104 HT HOH 229 -1.2963 2.39816 0.71587 1.00 0.00 WATR
-ATOM 1105 OT HOH 230 -0.5393 -0.6509 3.17907 1.00 0.00 WATR
-ATOM 1106 HT HOH 230 0.21755 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 1107 HT HOH 230 -1.2963 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 1108 OT HOH 231 -3.0026 1.81228 3.17907 1.00 0.00 WATR
-ATOM 1109 HT HOH 231 -2.2456 2.39816 3.17907 1.00 0.00 WATR
-ATOM 1110 HT HOH 231 -3.7595 2.39816 3.17907 1.00 0.00 WATR
-ATOM 1111 OT HOH 232 -3.0026 -0.6509 5.64228 1.00 0.00 WATR
-ATOM 1112 HT HOH 232 -2.2456 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 1113 HT HOH 232 -3.7595 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 1114 OT HOH 233 -0.5393 1.81228 5.64228 1.00 0.00 WATR
-ATOM 1115 HT HOH 233 0.21755 2.39816 5.64228 1.00 0.00 WATR
-ATOM 1116 HT HOH 233 -1.2963 2.39816 5.64228 1.00 0.00 WATR
-ATOM 1117 OT HOH 234 -0.5393 -0.6509 8.10548 1.00 0.00 WATR
-ATOM 1118 HT HOH 234 0.21755 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 1119 HT HOH 234 -1.2963 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 1120 OT HOH 235 -3.0026 1.81228 8.10548 1.00 0.00 WATR
-ATOM 1121 HT HOH 235 -2.2456 2.39816 8.10548 1.00 0.00 WATR
-ATOM 1122 HT HOH 235 -3.7595 2.39816 8.10548 1.00 0.00 WATR
-ATOM 1123 OT HOH 236 -3.0026 -0.6509 10.5686 1.00 0.00 WATR
-ATOM 1124 HT HOH 236 -2.2456 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 1125 HT HOH 236 -3.7595 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 1126 OT HOH 237 -0.5393 1.81228 10.5686 1.00 0.00 WATR
-ATOM 1127 HT HOH 237 0.21755 2.39816 10.5686 1.00 0.00 WATR
-ATOM 1128 HT HOH 237 -1.2963 2.39816 10.5686 1.00 0.00 WATR
-ATOM 1129 OT HOH 238 -0.5393 -0.6509 13.0318 1.00 0.00 WATR
-ATOM 1130 HT HOH 238 0.21755 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 1131 HT HOH 238 -1.2963 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 1132 OT HOH 239 -0.5393 -0.6509 17.9583 1.00 0.00 WATR
-ATOM 1133 HT HOH 239 0.21755 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 1134 HT HOH 239 -1.2963 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 1135 OT HOH 240 -3.0026 -0.6509 20.4215 1.00 0.00 WATR
-ATOM 1136 HT HOH 240 -2.2456 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 1137 HT HOH 240 -3.7595 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 1138 OT HOH 241 -0.5393 -0.6509 22.8847 1.00 0.00 WATR
-ATOM 1139 HT HOH 241 0.21755 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 1140 HT HOH 241 -1.2963 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 1141 OT HOH 242 -3.0026 1.81228 22.8847 1.00 0.00 WATR
-ATOM 1142 HT HOH 242 -2.2456 2.39816 22.8847 1.00 0.00 WATR
-ATOM 1143 HT HOH 242 -3.7595 2.39816 22.8847 1.00 0.00 WATR
-ATOM 1144 OT HOH 243 -3.0026 -0.6509 25.3479 1.00 0.00 WATR
-ATOM 1145 HT HOH 243 -2.2456 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 1146 HT HOH 243 -3.7595 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 1147 OT HOH 244 -0.5393 1.81228 25.3479 1.00 0.00 WATR
-ATOM 1148 HT HOH 244 0.21755 2.39816 25.3479 1.00 0.00 WATR
-ATOM 1149 HT HOH 244 -1.2963 2.39816 25.3479 1.00 0.00 WATR
-ATOM 1150 OT HOH 245 -0.5393 -0.6509 27.8111 1.00 0.00 WATR
-ATOM 1151 HT HOH 245 0.21755 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 1152 HT HOH 245 -1.2963 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 1153 OT HOH 246 -3.0026 1.81228 27.8111 1.00 0.00 WATR
-ATOM 1154 HT HOH 246 -2.2456 2.39816 27.8111 1.00 0.00 WATR
-ATOM 1155 HT HOH 246 -3.7595 2.39816 27.8111 1.00 0.00 WATR
-ATOM 1156 OT HOH 247 -3.0026 -0.6509 30.2743 1.00 0.00 WATR
-ATOM 1157 HT HOH 247 -2.2456 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 1158 HT HOH 247 -3.7595 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 1159 OT HOH 248 -0.5393 1.81228 30.2743 1.00 0.00 WATR
-ATOM 1160 HT HOH 248 0.21755 2.39816 30.2743 1.00 0.00 WATR
-ATOM 1161 HT HOH 248 -1.2963 2.39816 30.2743 1.00 0.00 WATR
-ATOM 1162 OT HOH 249 -0.5393 -0.6509 32.7375 1.00 0.00 WATR
-ATOM 1163 HT HOH 249 0.21755 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 1164 HT HOH 249 -1.2963 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 1165 OT HOH 250 -3.0026 1.81228 32.7375 1.00 0.00 WATR
-ATOM 1166 HT HOH 250 -2.2456 2.39816 32.7375 1.00 0.00 WATR
-ATOM 1167 HT HOH 250 -3.7595 2.39816 32.7375 1.00 0.00 WATR
-ATOM 1168 OT HOH 251 -3.0026 4.27548 -4.2105 1.00 0.00 WATR
-ATOM 1169 HT HOH 251 -2.2456 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 1170 HT HOH 251 -3.7595 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 1171 OT HOH 252 -0.5393 6.73869 -4.2105 1.00 0.00 WATR
-ATOM 1172 HT HOH 252 0.21755 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 1173 HT HOH 252 -1.2963 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 1174 OT HOH 253 -3.0026 4.27548 0.71587 1.00 0.00 WATR
-ATOM 1175 HT HOH 253 -2.2456 4.86136 0.71587 1.00 0.00 WATR
-ATOM 1176 HT HOH 253 -3.7595 4.86136 0.71587 1.00 0.00 WATR
-ATOM 1177 OT HOH 254 -3.0026 4.27548 5.64228 1.00 0.00 WATR
-ATOM 1178 HT HOH 254 -2.2456 4.86136 5.64228 1.00 0.00 WATR
-ATOM 1179 HT HOH 254 -3.7595 4.86136 5.64228 1.00 0.00 WATR
-ATOM 1180 OT HOH 255 -0.5393 4.27548 8.10548 1.00 0.00 WATR
-ATOM 1181 HT HOH 255 0.21755 4.86136 8.10548 1.00 0.00 WATR
-ATOM 1182 HT HOH 255 -1.2963 4.86136 8.10548 1.00 0.00 WATR
-ATOM 1183 OT HOH 256 -3.0026 4.27548 10.5686 1.00 0.00 WATR
-ATOM 1184 HT HOH 256 -2.2456 4.86136 10.5686 1.00 0.00 WATR
-ATOM 1185 HT HOH 256 -3.7595 4.86136 10.5686 1.00 0.00 WATR
-ATOM 1186 OT HOH 257 -0.5393 4.27548 13.0318 1.00 0.00 WATR
-ATOM 1187 HT HOH 257 0.21755 4.86136 13.0318 1.00 0.00 WATR
-ATOM 1188 HT HOH 257 -1.2963 4.86136 13.0318 1.00 0.00 WATR
-ATOM 1189 OT HOH 258 -0.5393 4.27548 27.8111 1.00 0.00 WATR
-ATOM 1190 HT HOH 258 0.21755 4.86136 27.8111 1.00 0.00 WATR
-ATOM 1191 HT HOH 258 -1.2963 4.86136 27.8111 1.00 0.00 WATR
-ATOM 1192 OT HOH 259 -3.0026 4.27548 30.2743 1.00 0.00 WATR
-ATOM 1193 HT HOH 259 -2.2456 4.86136 30.2743 1.00 0.00 WATR
-ATOM 1194 HT HOH 259 -3.7595 4.86136 30.2743 1.00 0.00 WATR
-ATOM 1195 OT HOH 260 -0.5393 6.73869 30.2743 1.00 0.00 WATR
-ATOM 1196 HT HOH 260 0.21755 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1197 HT HOH 260 -1.2963 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1198 OT HOH 261 -0.5393 4.27548 32.7375 1.00 0.00 WATR
-ATOM 1199 HT HOH 261 0.21755 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1200 HT HOH 261 -1.2963 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1201 OT HOH 262 -3.0026 6.73869 32.7375 1.00 0.00 WATR
-ATOM 1202 HT HOH 262 -2.2456 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1203 HT HOH 262 -3.7595 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1204 OT HOH 263 -0.5393 9.20189 32.7375 1.00 0.00 WATR
-ATOM 1205 HT HOH 263 0.21755 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1206 HT HOH 263 -1.2963 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1207 OT HOH 264 -0.5393 21.5179 -4.2105 1.00 0.00 WATR
-ATOM 1208 HT HOH 264 0.21755 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1209 HT HOH 264 -1.2963 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1210 OT HOH 265 -3.0026 21.5179 -1.7473 1.00 0.00 WATR
-ATOM 1211 HT HOH 265 -2.2456 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1212 HT HOH 265 -3.7595 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1213 OT HOH 266 -0.5393 21.5179 0.71587 1.00 0.00 WATR
-ATOM 1214 HT HOH 266 0.21755 22.1038 0.71587 1.00 0.00 WATR
-ATOM 1215 HT HOH 266 -1.2963 22.1038 0.71587 1.00 0.00 WATR
-ATOM 1216 OT HOH 267 -0.5393 19.0547 3.17907 1.00 0.00 WATR
-ATOM 1217 HT HOH 267 0.21755 19.6406 3.17907 1.00 0.00 WATR
-ATOM 1218 HT HOH 267 -1.2963 19.6406 3.17907 1.00 0.00 WATR
-ATOM 1219 OT HOH 268 -3.0026 21.5179 3.17907 1.00 0.00 WATR
-ATOM 1220 HT HOH 268 -2.2456 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1221 HT HOH 268 -3.7595 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1222 OT HOH 269 -3.0026 19.0547 5.64228 1.00 0.00 WATR
-ATOM 1223 HT HOH 269 -2.2456 19.6406 5.64228 1.00 0.00 WATR
-ATOM 1224 HT HOH 269 -3.7595 19.6406 5.64228 1.00 0.00 WATR
-ATOM 1225 OT HOH 270 -0.5393 21.5179 5.64228 1.00 0.00 WATR
-ATOM 1226 HT HOH 270 0.21755 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1227 HT HOH 270 -1.2963 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1228 OT HOH 271 -0.5393 21.5179 15.4951 1.00 0.00 WATR
-ATOM 1229 HT HOH 271 0.21755 22.1038 15.4951 1.00 0.00 WATR
-ATOM 1230 HT HOH 271 -1.2963 22.1038 15.4951 1.00 0.00 WATR
-ATOM 1231 OT HOH 272 -3.0026 21.5179 17.9583 1.00 0.00 WATR
-ATOM 1232 HT HOH 272 -2.2456 22.1038 17.9583 1.00 0.00 WATR
-ATOM 1233 HT HOH 272 -3.7595 22.1038 17.9583 1.00 0.00 WATR
-ATOM 1234 OT HOH 273 -0.5393 21.5179 20.4215 1.00 0.00 WATR
-ATOM 1235 HT HOH 273 0.21755 22.1038 20.4215 1.00 0.00 WATR
-ATOM 1236 HT HOH 273 -1.2963 22.1038 20.4215 1.00 0.00 WATR
-ATOM 1237 OT HOH 274 -0.5393 19.0547 22.8847 1.00 0.00 WATR
-ATOM 1238 HT HOH 274 0.21755 19.6406 22.8847 1.00 0.00 WATR
-ATOM 1239 HT HOH 274 -1.2963 19.6406 22.8847 1.00 0.00 WATR
-ATOM 1240 OT HOH 275 -3.0026 21.5179 22.8847 1.00 0.00 WATR
-ATOM 1241 HT HOH 275 -2.2456 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1242 HT HOH 275 -3.7595 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1243 OT HOH 276 -0.5393 21.5179 25.3479 1.00 0.00 WATR
-ATOM 1244 HT HOH 276 0.21755 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1245 HT HOH 276 -1.2963 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1246 OT HOH 277 -0.5393 19.0547 27.8111 1.00 0.00 WATR
-ATOM 1247 HT HOH 277 0.21755 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1248 HT HOH 277 -1.2963 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1249 OT HOH 278 -3.0026 21.5179 27.8111 1.00 0.00 WATR
-ATOM 1250 HT HOH 278 -2.2456 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1251 HT HOH 278 -3.7595 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1252 OT HOH 279 -3.0026 19.0547 30.2743 1.00 0.00 WATR
-ATOM 1253 HT HOH 279 -2.2456 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1254 HT HOH 279 -3.7595 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1255 OT HOH 280 -0.5393 21.5179 30.2743 1.00 0.00 WATR
-ATOM 1256 HT HOH 280 0.21755 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1257 HT HOH 280 -1.2963 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1258 OT HOH 281 -0.5393 19.0547 32.7375 1.00 0.00 WATR
-ATOM 1259 HT HOH 281 0.21755 19.6406 32.7375 1.00 0.00 WATR
-ATOM 1260 HT HOH 281 -1.2963 19.6406 32.7375 1.00 0.00 WATR
-ATOM 1261 OT HOH 282 -3.0026 21.5179 32.7375 1.00 0.00 WATR
-ATOM 1262 HT HOH 282 -2.2456 22.1038 32.7375 1.00 0.00 WATR
-ATOM 1263 HT HOH 282 -3.7595 22.1038 32.7375 1.00 0.00 WATR
-ATOM 1264 SOD ION 283 1.92380 -0.6509 -4.2105 1.00 0.00 SALT
-ATOM 1265 OT HOH 284 1.92380 1.81228 3.17907 1.00 0.00 WATR
-ATOM 1266 HT HOH 284 2.68075 2.39816 3.17907 1.00 0.00 WATR
-ATOM 1267 HT HOH 284 1.16685 2.39816 3.17907 1.00 0.00 WATR
-ATOM 1268 OT HOH 285 1.92380 -0.6509 5.64228 1.00 0.00 WATR
-ATOM 1269 HT HOH 285 2.68075 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 1270 HT HOH 285 1.16685 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 1271 OT HOH 286 4.38701 1.81228 5.64228 1.00 0.00 WATR
-ATOM 1272 HT HOH 286 5.14396 2.39816 5.64228 1.00 0.00 WATR
-ATOM 1273 HT HOH 286 3.63006 2.39816 5.64228 1.00 0.00 WATR
-ATOM 1274 OT HOH 287 4.38701 -0.6509 8.10548 1.00 0.00 WATR
-ATOM 1275 HT HOH 287 5.14396 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 1276 HT HOH 287 3.63006 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 1277 OT HOH 288 1.92380 1.81228 8.10548 1.00 0.00 WATR
-ATOM 1278 HT HOH 288 2.68075 2.39816 8.10548 1.00 0.00 WATR
-ATOM 1279 HT HOH 288 1.16685 2.39816 8.10548 1.00 0.00 WATR
-ATOM 1280 OT HOH 289 1.92380 -0.6509 10.5686 1.00 0.00 WATR
-ATOM 1281 HT HOH 289 2.68075 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 1282 HT HOH 289 1.16685 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 1283 OT HOH 290 4.38701 1.81228 10.5686 1.00 0.00 WATR
-ATOM 1284 HT HOH 290 5.14396 2.39816 10.5686 1.00 0.00 WATR
-ATOM 1285 HT HOH 290 3.63006 2.39816 10.5686 1.00 0.00 WATR
-ATOM 1286 OT HOH 291 4.38701 -0.6509 13.0318 1.00 0.00 WATR
-ATOM 1287 HT HOH 291 5.14396 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 1288 HT HOH 291 3.63006 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 1289 OT HOH 292 1.92380 1.81228 13.0318 1.00 0.00 WATR
-ATOM 1290 HT HOH 292 2.68075 2.39816 13.0318 1.00 0.00 WATR
-ATOM 1291 HT HOH 292 1.16685 2.39816 13.0318 1.00 0.00 WATR
-ATOM 1292 OT HOH 293 1.92380 -0.6509 15.4951 1.00 0.00 WATR
-ATOM 1293 HT HOH 293 2.68075 -0.0650 15.4951 1.00 0.00 WATR
-ATOM 1294 HT HOH 293 1.16685 -0.0650 15.4951 1.00 0.00 WATR
-ATOM 1295 OT HOH 294 4.38701 1.81228 15.4951 1.00 0.00 WATR
-ATOM 1296 HT HOH 294 5.14396 2.39816 15.4951 1.00 0.00 WATR
-ATOM 1297 HT HOH 294 3.63006 2.39816 15.4951 1.00 0.00 WATR
-ATOM 1298 OT HOH 295 4.38701 -0.6509 17.9583 1.00 0.00 WATR
-ATOM 1299 HT HOH 295 5.14396 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 1300 HT HOH 295 3.63006 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 1301 OT HOH 296 1.92380 -0.6509 20.4215 1.00 0.00 WATR
-ATOM 1302 HT HOH 296 2.68075 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 1303 HT HOH 296 1.16685 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 1304 OT HOH 297 4.38701 1.81228 20.4215 1.00 0.00 WATR
-ATOM 1305 HT HOH 297 5.14396 2.39816 20.4215 1.00 0.00 WATR
-ATOM 1306 HT HOH 297 3.63006 2.39816 20.4215 1.00 0.00 WATR
-ATOM 1307 OT HOH 298 4.38701 -0.6509 22.8847 1.00 0.00 WATR
-ATOM 1308 HT HOH 298 5.14396 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 1309 HT HOH 298 3.63006 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 1310 OT HOH 299 1.92380 1.81228 22.8847 1.00 0.00 WATR
-ATOM 1311 HT HOH 299 2.68075 2.39816 22.8847 1.00 0.00 WATR
-ATOM 1312 HT HOH 299 1.16685 2.39816 22.8847 1.00 0.00 WATR
-ATOM 1313 OT HOH 300 1.92380 -0.6509 25.3479 1.00 0.00 WATR
-ATOM 1314 HT HOH 300 2.68075 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 1315 HT HOH 300 1.16685 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 1316 OT HOH 301 4.38701 1.81228 25.3479 1.00 0.00 WATR
-ATOM 1317 HT HOH 301 5.14396 2.39816 25.3479 1.00 0.00 WATR
-ATOM 1318 HT HOH 301 3.63006 2.39816 25.3479 1.00 0.00 WATR
-ATOM 1319 OT HOH 302 4.38701 -0.6509 27.8111 1.00 0.00 WATR
-ATOM 1320 HT HOH 302 5.14396 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 1321 HT HOH 302 3.63006 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 1322 OT HOH 303 1.92380 1.81228 27.8111 1.00 0.00 WATR
-ATOM 1323 HT HOH 303 2.68075 2.39816 27.8111 1.00 0.00 WATR
-ATOM 1324 HT HOH 303 1.16685 2.39816 27.8111 1.00 0.00 WATR
-ATOM 1325 OT HOH 304 1.92380 -0.6509 30.2743 1.00 0.00 WATR
-ATOM 1326 HT HOH 304 2.68075 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 1327 HT HOH 304 1.16685 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 1328 OT HOH 305 4.38701 1.81228 30.2743 1.00 0.00 WATR
-ATOM 1329 HT HOH 305 5.14396 2.39816 30.2743 1.00 0.00 WATR
-ATOM 1330 HT HOH 305 3.63006 2.39816 30.2743 1.00 0.00 WATR
-ATOM 1331 OT HOH 306 4.38701 -0.6509 32.7375 1.00 0.00 WATR
-ATOM 1332 HT HOH 306 5.14396 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 1333 HT HOH 306 3.63006 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 1334 OT HOH 307 1.92380 1.81228 32.7375 1.00 0.00 WATR
-ATOM 1335 HT HOH 307 2.68075 2.39816 32.7375 1.00 0.00 WATR
-ATOM 1336 HT HOH 307 1.16685 2.39816 32.7375 1.00 0.00 WATR
-ATOM 1337 OT HOH 308 1.92380 4.27548 -4.2105 1.00 0.00 WATR
-ATOM 1338 HT HOH 308 2.68075 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 1339 HT HOH 308 1.16685 4.86136 -4.2105 1.00 0.00 WATR
-ATOM 1340 OT HOH 309 4.38701 6.73869 -4.2105 1.00 0.00 WATR
-ATOM 1341 HT HOH 309 5.14396 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 1342 HT HOH 309 3.63006 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 1343 OT HOH 310 4.38701 4.27548 8.10548 1.00 0.00 WATR
-ATOM 1344 HT HOH 310 5.14396 4.86136 8.10548 1.00 0.00 WATR
-ATOM 1345 HT HOH 310 3.63006 4.86136 8.10548 1.00 0.00 WATR
-ATOM 1346 OT HOH 311 1.92380 6.73869 8.10548 1.00 0.00 WATR
-ATOM 1347 HT HOH 311 2.68075 7.32457 8.10548 1.00 0.00 WATR
-ATOM 1348 HT HOH 311 1.16685 7.32457 8.10548 1.00 0.00 WATR
-ATOM 1349 OT HOH 312 1.92380 4.27548 10.5686 1.00 0.00 WATR
-ATOM 1350 HT HOH 312 2.68075 4.86136 10.5686 1.00 0.00 WATR
-ATOM 1351 HT HOH 312 1.16685 4.86136 10.5686 1.00 0.00 WATR
-ATOM 1352 OT HOH 313 4.38701 6.73869 10.5686 1.00 0.00 WATR
-ATOM 1353 HT HOH 313 5.14396 7.32457 10.5686 1.00 0.00 WATR
-ATOM 1354 HT HOH 313 3.63006 7.32457 10.5686 1.00 0.00 WATR
-ATOM 1355 OT HOH 314 4.38701 4.27548 13.0318 1.00 0.00 WATR
-ATOM 1356 HT HOH 314 5.14396 4.86136 13.0318 1.00 0.00 WATR
-ATOM 1357 HT HOH 314 3.63006 4.86136 13.0318 1.00 0.00 WATR
-ATOM 1358 OT HOH 315 1.92380 6.73869 13.0318 1.00 0.00 WATR
-ATOM 1359 HT HOH 315 2.68075 7.32457 13.0318 1.00 0.00 WATR
-ATOM 1360 HT HOH 315 1.16685 7.32457 13.0318 1.00 0.00 WATR
-ATOM 1361 OT HOH 316 1.92380 4.27548 15.4951 1.00 0.00 WATR
-ATOM 1362 HT HOH 316 2.68075 4.86136 15.4951 1.00 0.00 WATR
-ATOM 1363 HT HOH 316 1.16685 4.86136 15.4951 1.00 0.00 WATR
-ATOM 1364 OT HOH 317 4.38701 6.73869 15.4951 1.00 0.00 WATR
-ATOM 1365 HT HOH 317 5.14396 7.32457 15.4951 1.00 0.00 WATR
-ATOM 1366 HT HOH 317 3.63006 7.32457 15.4951 1.00 0.00 WATR
-ATOM 1367 OT HOH 318 4.38701 4.27548 17.9583 1.00 0.00 WATR
-ATOM 1368 HT HOH 318 5.14396 4.86136 17.9583 1.00 0.00 WATR
-ATOM 1369 HT HOH 318 3.63006 4.86136 17.9583 1.00 0.00 WATR
-ATOM 1370 OT HOH 319 4.38701 6.73869 20.4215 1.00 0.00 WATR
-ATOM 1371 HT HOH 319 5.14396 7.32457 20.4215 1.00 0.00 WATR
-ATOM 1372 HT HOH 319 3.63006 7.32457 20.4215 1.00 0.00 WATR
-ATOM 1373 OT HOH 320 4.38701 4.27548 22.8847 1.00 0.00 WATR
-ATOM 1374 HT HOH 320 5.14396 4.86136 22.8847 1.00 0.00 WATR
-ATOM 1375 HT HOH 320 3.63006 4.86136 22.8847 1.00 0.00 WATR
-ATOM 1376 OT HOH 321 1.92380 4.27548 25.3479 1.00 0.00 WATR
-ATOM 1377 HT HOH 321 2.68075 4.86136 25.3479 1.00 0.00 WATR
-ATOM 1378 HT HOH 321 1.16685 4.86136 25.3479 1.00 0.00 WATR
-ATOM 1379 OT HOH 322 4.38701 6.73869 25.3479 1.00 0.00 WATR
-ATOM 1380 HT HOH 322 5.14396 7.32457 25.3479 1.00 0.00 WATR
-ATOM 1381 HT HOH 322 3.63006 7.32457 25.3479 1.00 0.00 WATR
-ATOM 1382 OT HOH 323 4.38701 4.27548 27.8111 1.00 0.00 WATR
-ATOM 1383 HT HOH 323 5.14396 4.86136 27.8111 1.00 0.00 WATR
-ATOM 1384 HT HOH 323 3.63006 4.86136 27.8111 1.00 0.00 WATR
-ATOM 1385 OT HOH 324 1.92380 6.73869 27.8111 1.00 0.00 WATR
-ATOM 1386 HT HOH 324 2.68075 7.32457 27.8111 1.00 0.00 WATR
-ATOM 1387 HT HOH 324 1.16685 7.32457 27.8111 1.00 0.00 WATR
-ATOM 1388 OT HOH 325 1.92380 4.27548 30.2743 1.00 0.00 WATR
-ATOM 1389 HT HOH 325 2.68075 4.86136 30.2743 1.00 0.00 WATR
-ATOM 1390 HT HOH 325 1.16685 4.86136 30.2743 1.00 0.00 WATR
-ATOM 1391 OT HOH 326 4.38701 6.73869 30.2743 1.00 0.00 WATR
-ATOM 1392 HT HOH 326 5.14396 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1393 HT HOH 326 3.63006 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1394 OT HOH 327 4.38701 4.27548 32.7375 1.00 0.00 WATR
-ATOM 1395 HT HOH 327 5.14396 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1396 HT HOH 327 3.63006 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1397 OT HOH 328 1.92380 6.73869 32.7375 1.00 0.00 WATR
-ATOM 1398 HT HOH 328 2.68075 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1399 HT HOH 328 1.16685 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1400 OT HOH 329 1.92380 9.20189 -4.2105 1.00 0.00 WATR
-ATOM 1401 HT HOH 329 2.68075 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 1402 HT HOH 329 1.16685 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 1403 OT HOH 330 4.38701 11.6651 -4.2105 1.00 0.00 WATR
-ATOM 1404 HT HOH 330 5.14396 12.2509 -4.2105 1.00 0.00 WATR
-ATOM 1405 HT HOH 330 3.63006 12.2509 -4.2105 1.00 0.00 WATR
-ATOM 1406 OT HOH 331 4.38701 9.20189 13.0318 1.00 0.00 WATR
-ATOM 1407 HT HOH 331 5.14396 9.78777 13.0318 1.00 0.00 WATR
-ATOM 1408 HT HOH 331 3.63006 9.78777 13.0318 1.00 0.00 WATR
-ATOM 1409 OT HOH 332 4.38701 11.6651 15.4951 1.00 0.00 WATR
-ATOM 1410 HT HOH 332 5.14396 12.2509 15.4951 1.00 0.00 WATR
-ATOM 1411 HT HOH 332 3.63006 12.2509 15.4951 1.00 0.00 WATR
-ATOM 1412 OT HOH 333 4.38701 9.20189 17.9583 1.00 0.00 WATR
-ATOM 1413 HT HOH 333 5.14396 9.78777 17.9583 1.00 0.00 WATR
-ATOM 1414 HT HOH 333 3.63006 9.78777 17.9583 1.00 0.00 WATR
-ATOM 1415 OT HOH 334 1.92380 11.6651 17.9583 1.00 0.00 WATR
-ATOM 1416 HT HOH 334 2.68075 12.2509 17.9583 1.00 0.00 WATR
-ATOM 1417 HT HOH 334 1.16685 12.2509 17.9583 1.00 0.00 WATR
-ATOM 1418 OT HOH 335 4.38701 11.6651 20.4215 1.00 0.00 WATR
-ATOM 1419 HT HOH 335 5.14396 12.2509 20.4215 1.00 0.00 WATR
-ATOM 1420 HT HOH 335 3.63006 12.2509 20.4215 1.00 0.00 WATR
-ATOM 1421 OT HOH 336 4.38701 9.20189 22.8847 1.00 0.00 WATR
-ATOM 1422 HT HOH 336 5.14396 9.78777 22.8847 1.00 0.00 WATR
-ATOM 1423 HT HOH 336 3.63006 9.78777 22.8847 1.00 0.00 WATR
-ATOM 1424 OT HOH 337 1.92380 11.6651 22.8847 1.00 0.00 WATR
-ATOM 1425 HT HOH 337 2.68075 12.2509 22.8847 1.00 0.00 WATR
-ATOM 1426 HT HOH 337 1.16685 12.2509 22.8847 1.00 0.00 WATR
-ATOM 1427 OT HOH 338 4.38701 11.6651 25.3479 1.00 0.00 WATR
-ATOM 1428 HT HOH 338 5.14396 12.2509 25.3479 1.00 0.00 WATR
-ATOM 1429 HT HOH 338 3.63006 12.2509 25.3479 1.00 0.00 WATR
-ATOM 1430 OT HOH 339 4.38701 9.20189 27.8111 1.00 0.00 WATR
-ATOM 1431 HT HOH 339 5.14396 9.78777 27.8111 1.00 0.00 WATR
-ATOM 1432 HT HOH 339 3.63006 9.78777 27.8111 1.00 0.00 WATR
-ATOM 1433 OT HOH 340 1.92380 9.20189 30.2743 1.00 0.00 WATR
-ATOM 1434 HT HOH 340 2.68075 9.78777 30.2743 1.00 0.00 WATR
-ATOM 1435 HT HOH 340 1.16685 9.78777 30.2743 1.00 0.00 WATR
-ATOM 1436 OT HOH 341 4.38701 11.6651 30.2743 1.00 0.00 WATR
-ATOM 1437 HT HOH 341 5.14396 12.2509 30.2743 1.00 0.00 WATR
-ATOM 1438 HT HOH 341 3.63006 12.2509 30.2743 1.00 0.00 WATR
-ATOM 1439 OT HOH 342 4.38701 9.20189 32.7375 1.00 0.00 WATR
-ATOM 1440 HT HOH 342 5.14396 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1441 HT HOH 342 3.63006 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1442 OT HOH 343 1.92380 11.6651 32.7375 1.00 0.00 WATR
-ATOM 1443 HT HOH 343 2.68075 12.2509 32.7375 1.00 0.00 WATR
-ATOM 1444 HT HOH 343 1.16685 12.2509 32.7375 1.00 0.00 WATR
-ATOM 1445 OT HOH 344 4.38701 16.5915 -4.2105 1.00 0.00 WATR
-ATOM 1446 HT HOH 344 5.14396 17.1773 -4.2105 1.00 0.00 WATR
-ATOM 1447 HT HOH 344 3.63006 17.1773 -4.2105 1.00 0.00 WATR
-ATOM 1448 OT HOH 345 4.38701 14.1283 -1.7473 1.00 0.00 WATR
-ATOM 1449 HT HOH 345 5.14396 14.7141 -1.7473 1.00 0.00 WATR
-ATOM 1450 HT HOH 345 3.63006 14.7141 -1.7473 1.00 0.00 WATR
-ATOM 1451 OT HOH 346 4.38701 16.5915 0.71587 1.00 0.00 WATR
-ATOM 1452 HT HOH 346 5.14396 17.1773 0.71587 1.00 0.00 WATR
-ATOM 1453 HT HOH 346 3.63006 17.1773 0.71587 1.00 0.00 WATR
-ATOM 1454 OT HOH 347 1.92380 16.5915 3.17907 1.00 0.00 WATR
-ATOM 1455 HT HOH 347 2.68075 17.1773 3.17907 1.00 0.00 WATR
-ATOM 1456 HT HOH 347 1.16685 17.1773 3.17907 1.00 0.00 WATR
-ATOM 1457 OT HOH 348 4.38701 16.5915 15.4951 1.00 0.00 WATR
-ATOM 1458 HT HOH 348 5.14396 17.1773 15.4951 1.00 0.00 WATR
-ATOM 1459 HT HOH 348 3.63006 17.1773 15.4951 1.00 0.00 WATR
-ATOM 1460 OT HOH 349 4.38701 14.1283 17.9583 1.00 0.00 WATR
-ATOM 1461 HT HOH 349 5.14396 14.7141 17.9583 1.00 0.00 WATR
-ATOM 1462 HT HOH 349 3.63006 14.7141 17.9583 1.00 0.00 WATR
-ATOM 1463 OT HOH 350 1.92380 16.5915 17.9583 1.00 0.00 WATR
-ATOM 1464 HT HOH 350 2.68075 17.1773 17.9583 1.00 0.00 WATR
-ATOM 1465 HT HOH 350 1.16685 17.1773 17.9583 1.00 0.00 WATR
-ATOM 1466 OT HOH 351 1.92380 14.1283 20.4215 1.00 0.00 WATR
-ATOM 1467 HT HOH 351 2.68075 14.7141 20.4215 1.00 0.00 WATR
-ATOM 1468 HT HOH 351 1.16685 14.7141 20.4215 1.00 0.00 WATR
-ATOM 1469 SOD ION 352 4.38701 16.5915 20.4215 1.00 0.00 SALT
-ATOM 1470 OT HOH 353 4.38701 14.1283 22.8847 1.00 0.00 WATR
-ATOM 1471 HT HOH 353 5.14396 14.7141 22.8847 1.00 0.00 WATR
-ATOM 1472 HT HOH 353 3.63006 14.7141 22.8847 1.00 0.00 WATR
-ATOM 1473 OT HOH 354 1.92380 16.5915 22.8847 1.00 0.00 WATR
-ATOM 1474 HT HOH 354 2.68075 17.1773 22.8847 1.00 0.00 WATR
-ATOM 1475 HT HOH 354 1.16685 17.1773 22.8847 1.00 0.00 WATR
-ATOM 1476 OT HOH 355 4.38701 16.5915 25.3479 1.00 0.00 WATR
-ATOM 1477 HT HOH 355 5.14396 17.1773 25.3479 1.00 0.00 WATR
-ATOM 1478 HT HOH 355 3.63006 17.1773 25.3479 1.00 0.00 WATR
-ATOM 1479 OT HOH 356 4.38701 14.1283 27.8111 1.00 0.00 WATR
-ATOM 1480 HT HOH 356 5.14396 14.7141 27.8111 1.00 0.00 WATR
-ATOM 1481 HT HOH 356 3.63006 14.7141 27.8111 1.00 0.00 WATR
-ATOM 1482 OT HOH 357 1.92380 16.5915 27.8111 1.00 0.00 WATR
-ATOM 1483 HT HOH 357 2.68075 17.1773 27.8111 1.00 0.00 WATR
-ATOM 1484 HT HOH 357 1.16685 17.1773 27.8111 1.00 0.00 WATR
-ATOM 1485 OT HOH 358 1.92380 14.1283 30.2743 1.00 0.00 WATR
-ATOM 1486 HT HOH 358 2.68075 14.7141 30.2743 1.00 0.00 WATR
-ATOM 1487 HT HOH 358 1.16685 14.7141 30.2743 1.00 0.00 WATR
-ATOM 1488 OT HOH 359 4.38701 16.5915 30.2743 1.00 0.00 WATR
-ATOM 1489 HT HOH 359 5.14396 17.1773 30.2743 1.00 0.00 WATR
-ATOM 1490 HT HOH 359 3.63006 17.1773 30.2743 1.00 0.00 WATR
-ATOM 1491 OT HOH 360 4.38701 14.1283 32.7375 1.00 0.00 WATR
-ATOM 1492 HT HOH 360 5.14396 14.7141 32.7375 1.00 0.00 WATR
-ATOM 1493 HT HOH 360 3.63006 14.7141 32.7375 1.00 0.00 WATR
-ATOM 1494 OT HOH 361 1.92380 16.5915 32.7375 1.00 0.00 WATR
-ATOM 1495 HT HOH 361 2.68075 17.1773 32.7375 1.00 0.00 WATR
-ATOM 1496 HT HOH 361 1.16685 17.1773 32.7375 1.00 0.00 WATR
-ATOM 1497 OT HOH 362 4.38701 21.5179 -4.2105 1.00 0.00 WATR
-ATOM 1498 HT HOH 362 5.14396 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1499 HT HOH 362 3.63006 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1500 OT HOH 363 4.38701 19.0547 -1.7473 1.00 0.00 WATR
-ATOM 1501 HT HOH 363 5.14396 19.6406 -1.7473 1.00 0.00 WATR
-ATOM 1502 HT HOH 363 3.63006 19.6406 -1.7473 1.00 0.00 WATR
-ATOM 1503 OT HOH 364 1.92380 21.5179 -1.7473 1.00 0.00 WATR
-ATOM 1504 HT HOH 364 2.68075 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1505 HT HOH 364 1.16685 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1506 OT HOH 365 1.92380 19.0547 0.71587 1.00 0.00 WATR
-ATOM 1507 HT HOH 365 2.68075 19.6406 0.71587 1.00 0.00 WATR
-ATOM 1508 HT HOH 365 1.16685 19.6406 0.71587 1.00 0.00 WATR
-ATOM 1509 OT HOH 366 4.38701 21.5179 0.71587 1.00 0.00 WATR
-ATOM 1510 HT HOH 366 5.14396 22.1038 0.71587 1.00 0.00 WATR
-ATOM 1511 HT HOH 366 3.63006 22.1038 0.71587 1.00 0.00 WATR
-ATOM 1512 OT HOH 367 4.38701 19.0547 3.17907 1.00 0.00 WATR
-ATOM 1513 HT HOH 367 5.14396 19.6406 3.17907 1.00 0.00 WATR
-ATOM 1514 HT HOH 367 3.63006 19.6406 3.17907 1.00 0.00 WATR
-ATOM 1515 OT HOH 368 1.92380 21.5179 3.17907 1.00 0.00 WATR
-ATOM 1516 HT HOH 368 2.68075 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1517 HT HOH 368 1.16685 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1518 OT HOH 369 4.38701 21.5179 5.64228 1.00 0.00 WATR
-ATOM 1519 HT HOH 369 5.14396 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1520 HT HOH 369 3.63006 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1521 OT HOH 370 4.38701 21.5179 10.5686 1.00 0.00 WATR
-ATOM 1522 HT HOH 370 5.14396 22.1038 10.5686 1.00 0.00 WATR
-ATOM 1523 HT HOH 370 3.63006 22.1038 10.5686 1.00 0.00 WATR
-ATOM 1524 OT HOH 371 4.38701 19.0547 13.0318 1.00 0.00 WATR
-ATOM 1525 HT HOH 371 5.14396 19.6406 13.0318 1.00 0.00 WATR
-ATOM 1526 HT HOH 371 3.63006 19.6406 13.0318 1.00 0.00 WATR
-ATOM 1527 OT HOH 372 1.92380 19.0547 15.4951 1.00 0.00 WATR
-ATOM 1528 HT HOH 372 2.68075 19.6406 15.4951 1.00 0.00 WATR
-ATOM 1529 HT HOH 372 1.16685 19.6406 15.4951 1.00 0.00 WATR
-ATOM 1530 OT HOH 373 4.38701 21.5179 15.4951 1.00 0.00 WATR
-ATOM 1531 HT HOH 373 5.14396 22.1038 15.4951 1.00 0.00 WATR
-ATOM 1532 HT HOH 373 3.63006 22.1038 15.4951 1.00 0.00 WATR
-ATOM 1533 OT HOH 374 4.38701 19.0547 17.9583 1.00 0.00 WATR
-ATOM 1534 HT HOH 374 5.14396 19.6406 17.9583 1.00 0.00 WATR
-ATOM 1535 HT HOH 374 3.63006 19.6406 17.9583 1.00 0.00 WATR
-ATOM 1536 OT HOH 375 1.92380 21.5179 17.9583 1.00 0.00 WATR
-ATOM 1537 HT HOH 375 2.68075 22.1038 17.9583 1.00 0.00 WATR
-ATOM 1538 HT HOH 375 1.16685 22.1038 17.9583 1.00 0.00 WATR
-ATOM 1539 OT HOH 376 1.92380 19.0547 20.4215 1.00 0.00 WATR
-ATOM 1540 HT HOH 376 2.68075 19.6406 20.4215 1.00 0.00 WATR
-ATOM 1541 HT HOH 376 1.16685 19.6406 20.4215 1.00 0.00 WATR
-ATOM 1542 OT HOH 377 4.38701 21.5179 20.4215 1.00 0.00 WATR
-ATOM 1543 HT HOH 377 5.14396 22.1038 20.4215 1.00 0.00 WATR
-ATOM 1544 HT HOH 377 3.63006 22.1038 20.4215 1.00 0.00 WATR
-ATOM 1545 OT HOH 378 4.38701 19.0547 22.8847 1.00 0.00 WATR
-ATOM 1546 HT HOH 378 5.14396 19.6406 22.8847 1.00 0.00 WATR
-ATOM 1547 HT HOH 378 3.63006 19.6406 22.8847 1.00 0.00 WATR
-ATOM 1548 OT HOH 379 1.92380 21.5179 22.8847 1.00 0.00 WATR
-ATOM 1549 HT HOH 379 2.68075 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1550 HT HOH 379 1.16685 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1551 OT HOH 380 1.92380 19.0547 25.3479 1.00 0.00 WATR
-ATOM 1552 HT HOH 380 2.68075 19.6406 25.3479 1.00 0.00 WATR
-ATOM 1553 HT HOH 380 1.16685 19.6406 25.3479 1.00 0.00 WATR
-ATOM 1554 OT HOH 381 4.38701 21.5179 25.3479 1.00 0.00 WATR
-ATOM 1555 HT HOH 381 5.14396 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1556 HT HOH 381 3.63006 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1557 OT HOH 382 4.38701 19.0547 27.8111 1.00 0.00 WATR
-ATOM 1558 HT HOH 382 5.14396 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1559 HT HOH 382 3.63006 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1560 OT HOH 383 1.92380 21.5179 27.8111 1.00 0.00 WATR
-ATOM 1561 HT HOH 383 2.68075 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1562 HT HOH 383 1.16685 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1563 OT HOH 384 1.92380 19.0547 30.2743 1.00 0.00 WATR
-ATOM 1564 HT HOH 384 2.68075 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1565 HT HOH 384 1.16685 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1566 OT HOH 385 4.38701 21.5179 30.2743 1.00 0.00 WATR
-ATOM 1567 HT HOH 385 5.14396 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1568 HT HOH 385 3.63006 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1569 OT HOH 386 4.38701 19.0547 32.7375 1.00 0.00 WATR
-ATOM 1570 HT HOH 386 5.14396 19.6406 32.7375 1.00 0.00 WATR
-ATOM 1571 HT HOH 386 3.63006 19.6406 32.7375 1.00 0.00 WATR
-ATOM 1572 OT HOH 387 1.92380 21.5179 32.7375 1.00 0.00 WATR
-ATOM 1573 HT HOH 387 2.68075 22.1038 32.7375 1.00 0.00 WATR
-ATOM 1574 HT HOH 387 1.16685 22.1038 32.7375 1.00 0.00 WATR
-ATOM 1575 OT HOH 388 6.85021 -0.6509 -4.2105 1.00 0.00 WATR
-ATOM 1576 HT HOH 388 7.60716 -0.0650 -4.2105 1.00 0.00 WATR
-ATOM 1577 HT HOH 388 6.09326 -0.0650 -4.2105 1.00 0.00 WATR
-ATOM 1578 OT HOH 389 9.31342 1.81228 -4.2105 1.00 0.00 WATR
-ATOM 1579 HT HOH 389 10.0703 2.39816 -4.2105 1.00 0.00 WATR
-ATOM 1580 HT HOH 389 8.55647 2.39816 -4.2105 1.00 0.00 WATR
-ATOM 1581 OT HOH 390 9.31342 -0.6509 -1.7473 1.00 0.00 WATR
-ATOM 1582 HT HOH 390 10.0703 -0.0650 -1.7473 1.00 0.00 WATR
-ATOM 1583 HT HOH 390 8.55647 -0.0650 -1.7473 1.00 0.00 WATR
-ATOM 1584 OT HOH 391 9.31342 1.81228 0.71587 1.00 0.00 WATR
-ATOM 1585 HT HOH 391 10.0703 2.39816 0.71587 1.00 0.00 WATR
-ATOM 1586 HT HOH 391 8.55647 2.39816 0.71587 1.00 0.00 WATR
-ATOM 1587 OT HOH 392 9.31342 -0.6509 3.17907 1.00 0.00 WATR
-ATOM 1588 HT HOH 392 10.0703 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 1589 HT HOH 392 8.55647 -0.0650 3.17907 1.00 0.00 WATR
-ATOM 1590 OT HOH 393 6.85021 -0.6509 5.64228 1.00 0.00 WATR
-ATOM 1591 HT HOH 393 7.60716 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 1592 HT HOH 393 6.09326 -0.0650 5.64228 1.00 0.00 WATR
-ATOM 1593 OT HOH 394 9.31342 1.81228 5.64228 1.00 0.00 WATR
-ATOM 1594 HT HOH 394 10.0703 2.39816 5.64228 1.00 0.00 WATR
-ATOM 1595 HT HOH 394 8.55647 2.39816 5.64228 1.00 0.00 WATR
-ATOM 1596 OT HOH 395 9.31342 -0.6509 8.10548 1.00 0.00 WATR
-ATOM 1597 HT HOH 395 10.0703 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 1598 HT HOH 395 8.55647 -0.0650 8.10548 1.00 0.00 WATR
-ATOM 1599 OT HOH 396 6.85021 1.81228 8.10548 1.00 0.00 WATR
-ATOM 1600 HT HOH 396 7.60716 2.39816 8.10548 1.00 0.00 WATR
-ATOM 1601 HT HOH 396 6.09326 2.39816 8.10548 1.00 0.00 WATR
-ATOM 1602 OT HOH 397 6.85021 -0.6509 10.5686 1.00 0.00 WATR
-ATOM 1603 HT HOH 397 7.60716 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 1604 HT HOH 397 6.09326 -0.0650 10.5686 1.00 0.00 WATR
-ATOM 1605 OT HOH 398 9.31342 1.81228 10.5686 1.00 0.00 WATR
-ATOM 1606 HT HOH 398 10.0703 2.39816 10.5686 1.00 0.00 WATR
-ATOM 1607 HT HOH 398 8.55647 2.39816 10.5686 1.00 0.00 WATR
-ATOM 1608 OT HOH 399 9.31342 -0.6509 13.0318 1.00 0.00 WATR
-ATOM 1609 HT HOH 399 10.0703 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 1610 HT HOH 399 8.55647 -0.0650 13.0318 1.00 0.00 WATR
-ATOM 1611 OT HOH 400 6.85021 1.81228 13.0318 1.00 0.00 WATR
-ATOM 1612 HT HOH 400 7.60716 2.39816 13.0318 1.00 0.00 WATR
-ATOM 1613 HT HOH 400 6.09326 2.39816 13.0318 1.00 0.00 WATR
-ATOM 1614 OT HOH 401 6.85021 -0.6509 15.4951 1.00 0.00 WATR
-ATOM 1615 HT HOH 401 7.60716 -0.0650 15.4951 1.00 0.00 WATR
-ATOM 1616 HT HOH 401 6.09326 -0.0650 15.4951 1.00 0.00 WATR
-ATOM 1617 OT HOH 402 9.31342 1.81228 15.4951 1.00 0.00 WATR
-ATOM 1618 HT HOH 402 10.0703 2.39816 15.4951 1.00 0.00 WATR
-ATOM 1619 HT HOH 402 8.55647 2.39816 15.4951 1.00 0.00 WATR
-ATOM 1620 OT HOH 403 9.31342 -0.6509 17.9583 1.00 0.00 WATR
-ATOM 1621 HT HOH 403 10.0703 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 1622 HT HOH 403 8.55647 -0.0650 17.9583 1.00 0.00 WATR
-ATOM 1623 OT HOH 404 6.85021 1.81228 17.9583 1.00 0.00 WATR
-ATOM 1624 HT HOH 404 7.60716 2.39816 17.9583 1.00 0.00 WATR
-ATOM 1625 HT HOH 404 6.09326 2.39816 17.9583 1.00 0.00 WATR
-ATOM 1626 OT HOH 405 6.85021 -0.6509 20.4215 1.00 0.00 WATR
-ATOM 1627 HT HOH 405 7.60716 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 1628 HT HOH 405 6.09326 -0.0650 20.4215 1.00 0.00 WATR
-ATOM 1629 OT HOH 406 9.31342 1.81228 20.4215 1.00 0.00 WATR
-ATOM 1630 HT HOH 406 10.0703 2.39816 20.4215 1.00 0.00 WATR
-ATOM 1631 HT HOH 406 8.55647 2.39816 20.4215 1.00 0.00 WATR
-ATOM 1632 OT HOH 407 9.31342 -0.6509 22.8847 1.00 0.00 WATR
-ATOM 1633 HT HOH 407 10.0703 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 1634 HT HOH 407 8.55647 -0.0650 22.8847 1.00 0.00 WATR
-ATOM 1635 OT HOH 408 6.85021 1.81228 22.8847 1.00 0.00 WATR
-ATOM 1636 HT HOH 408 7.60716 2.39816 22.8847 1.00 0.00 WATR
-ATOM 1637 HT HOH 408 6.09326 2.39816 22.8847 1.00 0.00 WATR
-ATOM 1638 OT HOH 409 6.85021 -0.6509 25.3479 1.00 0.00 WATR
-ATOM 1639 HT HOH 409 7.60716 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 1640 HT HOH 409 6.09326 -0.0650 25.3479 1.00 0.00 WATR
-ATOM 1641 OT HOH 410 9.31342 1.81228 25.3479 1.00 0.00 WATR
-ATOM 1642 HT HOH 410 10.0703 2.39816 25.3479 1.00 0.00 WATR
-ATOM 1643 HT HOH 410 8.55647 2.39816 25.3479 1.00 0.00 WATR
-ATOM 1644 OT HOH 411 9.31342 -0.6509 27.8111 1.00 0.00 WATR
-ATOM 1645 HT HOH 411 10.0703 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 1646 HT HOH 411 8.55647 -0.0650 27.8111 1.00 0.00 WATR
-ATOM 1647 OT HOH 412 6.85021 1.81228 27.8111 1.00 0.00 WATR
-ATOM 1648 HT HOH 412 7.60716 2.39816 27.8111 1.00 0.00 WATR
-ATOM 1649 HT HOH 412 6.09326 2.39816 27.8111 1.00 0.00 WATR
-ATOM 1650 OT HOH 413 6.85021 -0.6509 30.2743 1.00 0.00 WATR
-ATOM 1651 HT HOH 413 7.60716 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 1652 HT HOH 413 6.09326 -0.0650 30.2743 1.00 0.00 WATR
-ATOM 1653 OT HOH 414 9.31342 1.81228 30.2743 1.00 0.00 WATR
-ATOM 1654 HT HOH 414 10.0703 2.39816 30.2743 1.00 0.00 WATR
-ATOM 1655 HT HOH 414 8.55647 2.39816 30.2743 1.00 0.00 WATR
-ATOM 1656 OT HOH 415 9.31342 -0.6509 32.7375 1.00 0.00 WATR
-ATOM 1657 HT HOH 415 10.0703 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 1658 HT HOH 415 8.55647 -0.0650 32.7375 1.00 0.00 WATR
-ATOM 1659 OT HOH 416 6.85021 1.81228 32.7375 1.00 0.00 WATR
-ATOM 1660 HT HOH 416 7.60716 2.39816 32.7375 1.00 0.00 WATR
-ATOM 1661 HT HOH 416 6.09326 2.39816 32.7375 1.00 0.00 WATR
-ATOM 1662 OT HOH 417 9.31342 6.73869 -4.2105 1.00 0.00 WATR
-ATOM 1663 HT HOH 417 10.0703 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 1664 HT HOH 417 8.55647 7.32457 -4.2105 1.00 0.00 WATR
-ATOM 1665 OT HOH 418 9.31342 6.73869 5.64228 1.00 0.00 WATR
-ATOM 1666 HT HOH 418 10.0703 7.32457 5.64228 1.00 0.00 WATR
-ATOM 1667 HT HOH 418 8.55647 7.32457 5.64228 1.00 0.00 WATR
-ATOM 1668 OT HOH 419 9.31342 4.27548 8.10548 1.00 0.00 WATR
-ATOM 1669 HT HOH 419 10.0703 4.86136 8.10548 1.00 0.00 WATR
-ATOM 1670 HT HOH 419 8.55647 4.86136 8.10548 1.00 0.00 WATR
-ATOM 1671 OT HOH 420 6.85021 6.73869 8.10548 1.00 0.00 WATR
-ATOM 1672 HT HOH 420 7.60716 7.32457 8.10548 1.00 0.00 WATR
-ATOM 1673 HT HOH 420 6.09326 7.32457 8.10548 1.00 0.00 WATR
-ATOM 1674 OT HOH 421 6.85021 4.27548 10.5686 1.00 0.00 WATR
-ATOM 1675 HT HOH 421 7.60716 4.86136 10.5686 1.00 0.00 WATR
-ATOM 1676 HT HOH 421 6.09326 4.86136 10.5686 1.00 0.00 WATR
-ATOM 1677 OT HOH 422 9.31342 6.73869 10.5686 1.00 0.00 WATR
-ATOM 1678 HT HOH 422 10.0703 7.32457 10.5686 1.00 0.00 WATR
-ATOM 1679 HT HOH 422 8.55647 7.32457 10.5686 1.00 0.00 WATR
-ATOM 1680 OT HOH 423 9.31342 4.27548 13.0318 1.00 0.00 WATR
-ATOM 1681 HT HOH 423 10.0703 4.86136 13.0318 1.00 0.00 WATR
-ATOM 1682 HT HOH 423 8.55647 4.86136 13.0318 1.00 0.00 WATR
-ATOM 1683 OT HOH 424 6.85021 6.73869 13.0318 1.00 0.00 WATR
-ATOM 1684 HT HOH 424 7.60716 7.32457 13.0318 1.00 0.00 WATR
-ATOM 1685 HT HOH 424 6.09326 7.32457 13.0318 1.00 0.00 WATR
-ATOM 1686 OT HOH 425 6.85021 4.27548 15.4951 1.00 0.00 WATR
-ATOM 1687 HT HOH 425 7.60716 4.86136 15.4951 1.00 0.00 WATR
-ATOM 1688 HT HOH 425 6.09326 4.86136 15.4951 1.00 0.00 WATR
-ATOM 1689 OT HOH 426 9.31342 6.73869 15.4951 1.00 0.00 WATR
-ATOM 1690 HT HOH 426 10.0703 7.32457 15.4951 1.00 0.00 WATR
-ATOM 1691 HT HOH 426 8.55647 7.32457 15.4951 1.00 0.00 WATR
-ATOM 1692 OT HOH 427 9.31342 4.27548 17.9583 1.00 0.00 WATR
-ATOM 1693 HT HOH 427 10.0703 4.86136 17.9583 1.00 0.00 WATR
-ATOM 1694 HT HOH 427 8.55647 4.86136 17.9583 1.00 0.00 WATR
-ATOM 1695 OT HOH 428 6.85021 6.73869 17.9583 1.00 0.00 WATR
-ATOM 1696 HT HOH 428 7.60716 7.32457 17.9583 1.00 0.00 WATR
-ATOM 1697 HT HOH 428 6.09326 7.32457 17.9583 1.00 0.00 WATR
-ATOM 1698 OT HOH 429 6.85021 4.27548 20.4215 1.00 0.00 WATR
-ATOM 1699 HT HOH 429 7.60716 4.86136 20.4215 1.00 0.00 WATR
-ATOM 1700 HT HOH 429 6.09326 4.86136 20.4215 1.00 0.00 WATR
-ATOM 1701 OT HOH 430 9.31342 6.73869 20.4215 1.00 0.00 WATR
-ATOM 1702 HT HOH 430 10.0703 7.32457 20.4215 1.00 0.00 WATR
-ATOM 1703 HT HOH 430 8.55647 7.32457 20.4215 1.00 0.00 WATR
-ATOM 1704 OT HOH 431 9.31342 4.27548 22.8847 1.00 0.00 WATR
-ATOM 1705 HT HOH 431 10.0703 4.86136 22.8847 1.00 0.00 WATR
-ATOM 1706 HT HOH 431 8.55647 4.86136 22.8847 1.00 0.00 WATR
-ATOM 1707 OT HOH 432 6.85021 6.73869 22.8847 1.00 0.00 WATR
-ATOM 1708 HT HOH 432 7.60716 7.32457 22.8847 1.00 0.00 WATR
-ATOM 1709 HT HOH 432 6.09326 7.32457 22.8847 1.00 0.00 WATR
-ATOM 1710 OT HOH 433 6.85021 4.27548 25.3479 1.00 0.00 WATR
-ATOM 1711 HT HOH 433 7.60716 4.86136 25.3479 1.00 0.00 WATR
-ATOM 1712 HT HOH 433 6.09326 4.86136 25.3479 1.00 0.00 WATR
-ATOM 1713 OT HOH 434 9.31342 6.73869 25.3479 1.00 0.00 WATR
-ATOM 1714 HT HOH 434 10.0703 7.32457 25.3479 1.00 0.00 WATR
-ATOM 1715 HT HOH 434 8.55647 7.32457 25.3479 1.00 0.00 WATR
-ATOM 1716 OT HOH 435 9.31342 4.27548 27.8111 1.00 0.00 WATR
-ATOM 1717 HT HOH 435 10.0703 4.86136 27.8111 1.00 0.00 WATR
-ATOM 1718 HT HOH 435 8.55647 4.86136 27.8111 1.00 0.00 WATR
-ATOM 1719 OT HOH 436 6.85021 6.73869 27.8111 1.00 0.00 WATR
-ATOM 1720 HT HOH 436 7.60716 7.32457 27.8111 1.00 0.00 WATR
-ATOM 1721 HT HOH 436 6.09326 7.32457 27.8111 1.00 0.00 WATR
-ATOM 1722 SOD ION 437 6.85021 4.27548 30.2743 1.00 0.00 SALT
-ATOM 1723 OT HOH 438 9.31342 6.73869 30.2743 1.00 0.00 WATR
-ATOM 1724 HT HOH 438 10.0703 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1725 HT HOH 438 8.55647 7.32457 30.2743 1.00 0.00 WATR
-ATOM 1726 OT HOH 439 9.31342 4.27548 32.7375 1.00 0.00 WATR
-ATOM 1727 HT HOH 439 10.0703 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1728 HT HOH 439 8.55647 4.86136 32.7375 1.00 0.00 WATR
-ATOM 1729 OT HOH 440 6.85021 6.73869 32.7375 1.00 0.00 WATR
-ATOM 1730 HT HOH 440 7.60716 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1731 HT HOH 440 6.09326 7.32457 32.7375 1.00 0.00 WATR
-ATOM 1732 OT HOH 441 6.85021 9.20189 -4.2105 1.00 0.00 WATR
-ATOM 1733 HT HOH 441 7.60716 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 1734 HT HOH 441 6.09326 9.78777 -4.2105 1.00 0.00 WATR
-ATOM 1735 OT HOH 442 9.31342 11.6651 -4.2105 1.00 0.00 WATR
-ATOM 1736 HT HOH 442 10.0703 12.2509 -4.2105 1.00 0.00 WATR
-ATOM 1737 HT HOH 442 8.55647 12.2509 -4.2105 1.00 0.00 WATR
-ATOM 1738 OT HOH 443 9.31342 9.20189 -1.7473 1.00 0.00 WATR
-ATOM 1739 HT HOH 443 10.0703 9.78777 -1.7473 1.00 0.00 WATR
-ATOM 1740 HT HOH 443 8.55647 9.78777 -1.7473 1.00 0.00 WATR
-ATOM 1741 OT HOH 444 6.85021 11.6651 -1.7473 1.00 0.00 WATR
-ATOM 1742 HT HOH 444 7.60716 12.2509 -1.7473 1.00 0.00 WATR
-ATOM 1743 HT HOH 444 6.09326 12.2509 -1.7473 1.00 0.00 WATR
-ATOM 1744 OT HOH 445 9.31342 11.6651 0.71587 1.00 0.00 WATR
-ATOM 1745 HT HOH 445 10.0703 12.2509 0.71587 1.00 0.00 WATR
-ATOM 1746 HT HOH 445 8.55647 12.2509 0.71587 1.00 0.00 WATR
-ATOM 1747 OT HOH 446 6.85021 9.20189 10.5686 1.00 0.00 WATR
-ATOM 1748 HT HOH 446 7.60716 9.78777 10.5686 1.00 0.00 WATR
-ATOM 1749 HT HOH 446 6.09326 9.78777 10.5686 1.00 0.00 WATR
-ATOM 1750 OT HOH 447 9.31342 11.6651 10.5686 1.00 0.00 WATR
-ATOM 1751 HT HOH 447 10.0703 12.2509 10.5686 1.00 0.00 WATR
-ATOM 1752 HT HOH 447 8.55647 12.2509 10.5686 1.00 0.00 WATR
-ATOM 1753 OT HOH 448 9.31342 9.20189 13.0318 1.00 0.00 WATR
-ATOM 1754 HT HOH 448 10.0703 9.78777 13.0318 1.00 0.00 WATR
-ATOM 1755 HT HOH 448 8.55647 9.78777 13.0318 1.00 0.00 WATR
-ATOM 1756 OT HOH 449 6.85021 11.6651 13.0318 1.00 0.00 WATR
-ATOM 1757 HT HOH 449 7.60716 12.2509 13.0318 1.00 0.00 WATR
-ATOM 1758 HT HOH 449 6.09326 12.2509 13.0318 1.00 0.00 WATR
-ATOM 1759 OT HOH 450 6.85021 9.20189 15.4951 1.00 0.00 WATR
-ATOM 1760 HT HOH 450 7.60716 9.78777 15.4951 1.00 0.00 WATR
-ATOM 1761 HT HOH 450 6.09326 9.78777 15.4951 1.00 0.00 WATR
-ATOM 1762 OT HOH 451 9.31342 11.6651 15.4951 1.00 0.00 WATR
-ATOM 1763 HT HOH 451 10.0703 12.2509 15.4951 1.00 0.00 WATR
-ATOM 1764 HT HOH 451 8.55647 12.2509 15.4951 1.00 0.00 WATR
-ATOM 1765 OT HOH 452 9.31342 9.20189 17.9583 1.00 0.00 WATR
-ATOM 1766 HT HOH 452 10.0703 9.78777 17.9583 1.00 0.00 WATR
-ATOM 1767 HT HOH 452 8.55647 9.78777 17.9583 1.00 0.00 WATR
-ATOM 1768 OT HOH 453 6.85021 11.6651 17.9583 1.00 0.00 WATR
-ATOM 1769 HT HOH 453 7.60716 12.2509 17.9583 1.00 0.00 WATR
-ATOM 1770 HT HOH 453 6.09326 12.2509 17.9583 1.00 0.00 WATR
-ATOM 1771 OT HOH 454 6.85021 9.20189 20.4215 1.00 0.00 WATR
-ATOM 1772 HT HOH 454 7.60716 9.78777 20.4215 1.00 0.00 WATR
-ATOM 1773 HT HOH 454 6.09326 9.78777 20.4215 1.00 0.00 WATR
-ATOM 1774 OT HOH 455 9.31342 11.6651 20.4215 1.00 0.00 WATR
-ATOM 1775 HT HOH 455 10.0703 12.2509 20.4215 1.00 0.00 WATR
-ATOM 1776 HT HOH 455 8.55647 12.2509 20.4215 1.00 0.00 WATR
-ATOM 1777 OT HOH 456 9.31342 9.20189 22.8847 1.00 0.00 WATR
-ATOM 1778 HT HOH 456 10.0703 9.78777 22.8847 1.00 0.00 WATR
-ATOM 1779 HT HOH 456 8.55647 9.78777 22.8847 1.00 0.00 WATR
-ATOM 1780 OT HOH 457 6.85021 11.6651 22.8847 1.00 0.00 WATR
-ATOM 1781 HT HOH 457 7.60716 12.2509 22.8847 1.00 0.00 WATR
-ATOM 1782 HT HOH 457 6.09326 12.2509 22.8847 1.00 0.00 WATR
-ATOM 1783 SOD ION 458 6.85021 9.20189 25.3479 1.00 0.00 SALT
-ATOM 1784 OT HOH 459 9.31342 11.6651 25.3479 1.00 0.00 WATR
-ATOM 1785 HT HOH 459 10.0703 12.2509 25.3479 1.00 0.00 WATR
-ATOM 1786 HT HOH 459 8.55647 12.2509 25.3479 1.00 0.00 WATR
-ATOM 1787 OT HOH 460 9.31342 9.20189 27.8111 1.00 0.00 WATR
-ATOM 1788 HT HOH 460 10.0703 9.78777 27.8111 1.00 0.00 WATR
-ATOM 1789 HT HOH 460 8.55647 9.78777 27.8111 1.00 0.00 WATR
-ATOM 1790 OT HOH 461 6.85021 11.6651 27.8111 1.00 0.00 WATR
-ATOM 1791 HT HOH 461 7.60716 12.2509 27.8111 1.00 0.00 WATR
-ATOM 1792 HT HOH 461 6.09326 12.2509 27.8111 1.00 0.00 WATR
-ATOM 1793 OT HOH 462 6.85021 9.20189 30.2743 1.00 0.00 WATR
-ATOM 1794 HT HOH 462 7.60716 9.78777 30.2743 1.00 0.00 WATR
-ATOM 1795 HT HOH 462 6.09326 9.78777 30.2743 1.00 0.00 WATR
-ATOM 1796 OT HOH 463 9.31342 11.6651 30.2743 1.00 0.00 WATR
-ATOM 1797 HT HOH 463 10.0703 12.2509 30.2743 1.00 0.00 WATR
-ATOM 1798 HT HOH 463 8.55647 12.2509 30.2743 1.00 0.00 WATR
-ATOM 1799 OT HOH 464 9.31342 9.20189 32.7375 1.00 0.00 WATR
-ATOM 1800 HT HOH 464 10.0703 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1801 HT HOH 464 8.55647 9.78777 32.7375 1.00 0.00 WATR
-ATOM 1802 OT HOH 465 6.85021 11.6651 32.7375 1.00 0.00 WATR
-ATOM 1803 HT HOH 465 7.60716 12.2509 32.7375 1.00 0.00 WATR
-ATOM 1804 HT HOH 465 6.09326 12.2509 32.7375 1.00 0.00 WATR
-ATOM 1805 OT HOH 466 6.85021 14.1283 -4.2105 1.00 0.00 WATR
-ATOM 1806 HT HOH 466 7.60716 14.7141 -4.2105 1.00 0.00 WATR
-ATOM 1807 HT HOH 466 6.09326 14.7141 -4.2105 1.00 0.00 WATR
-ATOM 1808 OT HOH 467 9.31342 16.5915 -4.2105 1.00 0.00 WATR
-ATOM 1809 HT HOH 467 10.0703 17.1773 -4.2105 1.00 0.00 WATR
-ATOM 1810 HT HOH 467 8.55647 17.1773 -4.2105 1.00 0.00 WATR
-ATOM 1811 SOD ION 468 9.31342 14.1283 -1.7473 1.00 0.00 SALT
-ATOM 1812 OT HOH 469 6.85021 16.5915 -1.7473 1.00 0.00 WATR
-ATOM 1813 HT HOH 469 7.60716 17.1773 -1.7473 1.00 0.00 WATR
-ATOM 1814 HT HOH 469 6.09326 17.1773 -1.7473 1.00 0.00 WATR
-ATOM 1815 OT HOH 470 6.85021 14.1283 0.71587 1.00 0.00 WATR
-ATOM 1816 HT HOH 470 7.60716 14.7141 0.71587 1.00 0.00 WATR
-ATOM 1817 HT HOH 470 6.09326 14.7141 0.71587 1.00 0.00 WATR
-ATOM 1818 OT HOH 471 9.31342 16.5915 0.71587 1.00 0.00 WATR
-ATOM 1819 HT HOH 471 10.0703 17.1773 0.71587 1.00 0.00 WATR
-ATOM 1820 HT HOH 471 8.55647 17.1773 0.71587 1.00 0.00 WATR
-ATOM 1821 OT HOH 472 9.31342 16.5915 5.64228 1.00 0.00 WATR
-ATOM 1822 HT HOH 472 10.0703 17.1773 5.64228 1.00 0.00 WATR
-ATOM 1823 HT HOH 472 8.55647 17.1773 5.64228 1.00 0.00 WATR
-ATOM 1824 OT HOH 473 9.31342 14.1283 8.10548 1.00 0.00 WATR
-ATOM 1825 HT HOH 473 10.0703 14.7141 8.10548 1.00 0.00 WATR
-ATOM 1826 HT HOH 473 8.55647 14.7141 8.10548 1.00 0.00 WATR
-ATOM 1827 OT HOH 474 9.31342 16.5915 10.5686 1.00 0.00 WATR
-ATOM 1828 HT HOH 474 10.0703 17.1773 10.5686 1.00 0.00 WATR
-ATOM 1829 HT HOH 474 8.55647 17.1773 10.5686 1.00 0.00 WATR
-ATOM 1830 OT HOH 475 9.31342 14.1283 13.0318 1.00 0.00 WATR
-ATOM 1831 HT HOH 475 10.0703 14.7141 13.0318 1.00 0.00 WATR
-ATOM 1832 HT HOH 475 8.55647 14.7141 13.0318 1.00 0.00 WATR
-ATOM 1833 OT HOH 476 6.85021 16.5915 13.0318 1.00 0.00 WATR
-ATOM 1834 HT HOH 476 7.60716 17.1773 13.0318 1.00 0.00 WATR
-ATOM 1835 HT HOH 476 6.09326 17.1773 13.0318 1.00 0.00 WATR
-ATOM 1836 OT HOH 477 6.85021 14.1283 15.4951 1.00 0.00 WATR
-ATOM 1837 HT HOH 477 7.60716 14.7141 15.4951 1.00 0.00 WATR
-ATOM 1838 HT HOH 477 6.09326 14.7141 15.4951 1.00 0.00 WATR
-ATOM 1839 OT HOH 478 9.31342 16.5915 15.4951 1.00 0.00 WATR
-ATOM 1840 HT HOH 478 10.0703 17.1773 15.4951 1.00 0.00 WATR
-ATOM 1841 HT HOH 478 8.55647 17.1773 15.4951 1.00 0.00 WATR
-ATOM 1842 OT HOH 479 9.31342 14.1283 17.9583 1.00 0.00 WATR
-ATOM 1843 HT HOH 479 10.0703 14.7141 17.9583 1.00 0.00 WATR
-ATOM 1844 HT HOH 479 8.55647 14.7141 17.9583 1.00 0.00 WATR
-ATOM 1845 SOD ION 480 6.85021 16.5915 17.9583 1.00 0.00 SALT
-ATOM 1846 OT HOH 481 6.85021 14.1283 20.4215 1.00 0.00 WATR
-ATOM 1847 HT HOH 481 7.60716 14.7141 20.4215 1.00 0.00 WATR
-ATOM 1848 HT HOH 481 6.09326 14.7141 20.4215 1.00 0.00 WATR
-ATOM 1849 OT HOH 482 9.31342 16.5915 20.4215 1.00 0.00 WATR
-ATOM 1850 HT HOH 482 10.0703 17.1773 20.4215 1.00 0.00 WATR
-ATOM 1851 HT HOH 482 8.55647 17.1773 20.4215 1.00 0.00 WATR
-ATOM 1852 OT HOH 483 9.31342 14.1283 22.8847 1.00 0.00 WATR
-ATOM 1853 HT HOH 483 10.0703 14.7141 22.8847 1.00 0.00 WATR
-ATOM 1854 HT HOH 483 8.55647 14.7141 22.8847 1.00 0.00 WATR
-ATOM 1855 OT HOH 484 6.85021 16.5915 22.8847 1.00 0.00 WATR
-ATOM 1856 HT HOH 484 7.60716 17.1773 22.8847 1.00 0.00 WATR
-ATOM 1857 HT HOH 484 6.09326 17.1773 22.8847 1.00 0.00 WATR
-ATOM 1858 OT HOH 485 6.85021 14.1283 25.3479 1.00 0.00 WATR
-ATOM 1859 HT HOH 485 7.60716 14.7141 25.3479 1.00 0.00 WATR
-ATOM 1860 HT HOH 485 6.09326 14.7141 25.3479 1.00 0.00 WATR
-ATOM 1861 OT HOH 486 9.31342 16.5915 25.3479 1.00 0.00 WATR
-ATOM 1862 HT HOH 486 10.0703 17.1773 25.3479 1.00 0.00 WATR
-ATOM 1863 HT HOH 486 8.55647 17.1773 25.3479 1.00 0.00 WATR
-ATOM 1864 OT HOH 487 9.31342 14.1283 27.8111 1.00 0.00 WATR
-ATOM 1865 HT HOH 487 10.0703 14.7141 27.8111 1.00 0.00 WATR
-ATOM 1866 HT HOH 487 8.55647 14.7141 27.8111 1.00 0.00 WATR
-ATOM 1867 OT HOH 488 6.85021 16.5915 27.8111 1.00 0.00 WATR
-ATOM 1868 HT HOH 488 7.60716 17.1773 27.8111 1.00 0.00 WATR
-ATOM 1869 HT HOH 488 6.09326 17.1773 27.8111 1.00 0.00 WATR
-ATOM 1870 OT HOH 489 6.85021 14.1283 30.2743 1.00 0.00 WATR
-ATOM 1871 HT HOH 489 7.60716 14.7141 30.2743 1.00 0.00 WATR
-ATOM 1872 HT HOH 489 6.09326 14.7141 30.2743 1.00 0.00 WATR
-ATOM 1873 OT HOH 490 9.31342 16.5915 30.2743 1.00 0.00 WATR
-ATOM 1874 HT HOH 490 10.0703 17.1773 30.2743 1.00 0.00 WATR
-ATOM 1875 HT HOH 490 8.55647 17.1773 30.2743 1.00 0.00 WATR
-ATOM 1876 OT HOH 491 9.31342 14.1283 32.7375 1.00 0.00 WATR
-ATOM 1877 HT HOH 491 10.0703 14.7141 32.7375 1.00 0.00 WATR
-ATOM 1878 HT HOH 491 8.55647 14.7141 32.7375 1.00 0.00 WATR
-ATOM 1879 OT HOH 492 6.85021 16.5915 32.7375 1.00 0.00 WATR
-ATOM 1880 HT HOH 492 7.60716 17.1773 32.7375 1.00 0.00 WATR
-ATOM 1881 HT HOH 492 6.09326 17.1773 32.7375 1.00 0.00 WATR
-ATOM 1882 OT HOH 493 6.85021 19.0547 -4.2105 1.00 0.00 WATR
-ATOM 1883 HT HOH 493 7.60716 19.6406 -4.2105 1.00 0.00 WATR
-ATOM 1884 HT HOH 493 6.09326 19.6406 -4.2105 1.00 0.00 WATR
-ATOM 1885 OT HOH 494 9.31342 21.5179 -4.2105 1.00 0.00 WATR
-ATOM 1886 HT HOH 494 10.0703 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1887 HT HOH 494 8.55647 22.1038 -4.2105 1.00 0.00 WATR
-ATOM 1888 OT HOH 495 9.31342 19.0547 -1.7473 1.00 0.00 WATR
-ATOM 1889 HT HOH 495 10.0703 19.6406 -1.7473 1.00 0.00 WATR
-ATOM 1890 HT HOH 495 8.55647 19.6406 -1.7473 1.00 0.00 WATR
-ATOM 1891 OT HOH 496 6.85021 21.5179 -1.7473 1.00 0.00 WATR
-ATOM 1892 HT HOH 496 7.60716 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1893 HT HOH 496 6.09326 22.1038 -1.7473 1.00 0.00 WATR
-ATOM 1894 OT HOH 497 6.85021 19.0547 0.71587 1.00 0.00 WATR
-ATOM 1895 HT HOH 497 7.60716 19.6406 0.71587 1.00 0.00 WATR
-ATOM 1896 HT HOH 497 6.09326 19.6406 0.71587 1.00 0.00 WATR
-ATOM 1897 OT HOH 498 9.31342 21.5179 0.71587 1.00 0.00 WATR
-ATOM 1898 HT HOH 498 10.0703 22.1038 0.71587 1.00 0.00 WATR
-ATOM 1899 HT HOH 498 8.55647 22.1038 0.71587 1.00 0.00 WATR
-ATOM 1900 OT HOH 499 9.31342 19.0547 3.17907 1.00 0.00 WATR
-ATOM 1901 HT HOH 499 10.0703 19.6406 3.17907 1.00 0.00 WATR
-ATOM 1902 HT HOH 499 8.55647 19.6406 3.17907 1.00 0.00 WATR
-ATOM 1903 OT HOH 500 6.85021 21.5179 3.17907 1.00 0.00 WATR
-ATOM 1904 HT HOH 500 7.60716 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1905 HT HOH 500 6.09326 22.1038 3.17907 1.00 0.00 WATR
-ATOM 1906 OT HOH 501 9.31342 21.5179 5.64228 1.00 0.00 WATR
-ATOM 1907 HT HOH 501 10.0703 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1908 HT HOH 501 8.55647 22.1038 5.64228 1.00 0.00 WATR
-ATOM 1909 OT HOH 502 9.31342 19.0547 8.10548 1.00 0.00 WATR
-ATOM 1910 HT HOH 502 10.0703 19.6406 8.10548 1.00 0.00 WATR
-ATOM 1911 HT HOH 502 8.55647 19.6406 8.10548 1.00 0.00 WATR
-ATOM 1912 OT HOH 503 6.85021 21.5179 8.10548 1.00 0.00 WATR
-ATOM 1913 HT HOH 503 7.60716 22.1038 8.10548 1.00 0.00 WATR
-ATOM 1914 HT HOH 503 6.09326 22.1038 8.10548 1.00 0.00 WATR
-ATOM 1915 SOD ION 504 6.85021 19.0547 10.5686 1.00 0.00 SALT
-ATOM 1916 OT HOH 505 9.31342 21.5179 10.5686 1.00 0.00 WATR
-ATOM 1917 HT HOH 505 10.0703 22.1038 10.5686 1.00 0.00 WATR
-ATOM 1918 HT HOH 505 8.55647 22.1038 10.5686 1.00 0.00 WATR
-ATOM 1919 OT HOH 506 9.31342 19.0547 13.0318 1.00 0.00 WATR
-ATOM 1920 HT HOH 506 10.0703 19.6406 13.0318 1.00 0.00 WATR
-ATOM 1921 HT HOH 506 8.55647 19.6406 13.0318 1.00 0.00 WATR
-ATOM 1922 OT HOH 507 6.85021 21.5179 13.0318 1.00 0.00 WATR
-ATOM 1923 HT HOH 507 7.60716 22.1038 13.0318 1.00 0.00 WATR
-ATOM 1924 HT HOH 507 6.09326 22.1038 13.0318 1.00 0.00 WATR
-ATOM 1925 OT HOH 508 6.85021 19.0547 15.4951 1.00 0.00 WATR
-ATOM 1926 HT HOH 508 7.60716 19.6406 15.4951 1.00 0.00 WATR
-ATOM 1927 HT HOH 508 6.09326 19.6406 15.4951 1.00 0.00 WATR
-ATOM 1928 OT HOH 509 9.31342 21.5179 15.4951 1.00 0.00 WATR
-ATOM 1929 HT HOH 509 10.0703 22.1038 15.4951 1.00 0.00 WATR
-ATOM 1930 HT HOH 509 8.55647 22.1038 15.4951 1.00 0.00 WATR
-ATOM 1931 OT HOH 510 9.31342 19.0547 17.9583 1.00 0.00 WATR
-ATOM 1932 HT HOH 510 10.0703 19.6406 17.9583 1.00 0.00 WATR
-ATOM 1933 HT HOH 510 8.55647 19.6406 17.9583 1.00 0.00 WATR
-ATOM 1934 SOD ION 511 6.85021 21.5179 17.9583 1.00 0.00 SALT
-ATOM 1935 OT HOH 512 6.85021 19.0547 20.4215 1.00 0.00 WATR
-ATOM 1936 HT HOH 512 7.60716 19.6406 20.4215 1.00 0.00 WATR
-ATOM 1937 HT HOH 512 6.09326 19.6406 20.4215 1.00 0.00 WATR
-ATOM 1938 OT HOH 513 9.31342 21.5179 20.4215 1.00 0.00 WATR
-ATOM 1939 HT HOH 513 10.0703 22.1038 20.4215 1.00 0.00 WATR
-ATOM 1940 HT HOH 513 8.55647 22.1038 20.4215 1.00 0.00 WATR
-ATOM 1941 OT HOH 514 9.31342 19.0547 22.8847 1.00 0.00 WATR
-ATOM 1942 HT HOH 514 10.0703 19.6406 22.8847 1.00 0.00 WATR
-ATOM 1943 HT HOH 514 8.55647 19.6406 22.8847 1.00 0.00 WATR
-ATOM 1944 OT HOH 515 6.85021 21.5179 22.8847 1.00 0.00 WATR
-ATOM 1945 HT HOH 515 7.60716 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1946 HT HOH 515 6.09326 22.1038 22.8847 1.00 0.00 WATR
-ATOM 1947 OT HOH 516 6.85021 19.0547 25.3479 1.00 0.00 WATR
-ATOM 1948 HT HOH 516 7.60716 19.6406 25.3479 1.00 0.00 WATR
-ATOM 1949 HT HOH 516 6.09326 19.6406 25.3479 1.00 0.00 WATR
-ATOM 1950 OT HOH 517 9.31342 21.5179 25.3479 1.00 0.00 WATR
-ATOM 1951 HT HOH 517 10.0703 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1952 HT HOH 517 8.55647 22.1038 25.3479 1.00 0.00 WATR
-ATOM 1953 OT HOH 518 9.31342 19.0547 27.8111 1.00 0.00 WATR
-ATOM 1954 HT HOH 518 10.0703 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1955 HT HOH 518 8.55647 19.6406 27.8111 1.00 0.00 WATR
-ATOM 1956 OT HOH 519 6.85021 21.5179 27.8111 1.00 0.00 WATR
-ATOM 1957 HT HOH 519 7.60716 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1958 HT HOH 519 6.09326 22.1038 27.8111 1.00 0.00 WATR
-ATOM 1959 OT HOH 520 6.85021 19.0547 30.2743 1.00 0.00 WATR
-ATOM 1960 HT HOH 520 7.60716 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1961 HT HOH 520 6.09326 19.6406 30.2743 1.00 0.00 WATR
-ATOM 1962 OT HOH 521 9.31342 21.5179 30.2743 1.00 0.00 WATR
-ATOM 1963 HT HOH 521 10.0703 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1964 HT HOH 521 8.55647 22.1038 30.2743 1.00 0.00 WATR
-ATOM 1965 SOD ION 522 9.31342 19.0547 32.7375 1.00 0.00 SALT
+ATOM 858 OT HOH 145 -12.855 19.0547 25.3479 1.00 0.00 WATR
+ATOM 859 HT HOH 145 -12.098 19.6406 25.3479 1.00 0.00 WATR
+ATOM 860 HT HOH 145 -13.612 19.6406 25.3479 1.00 0.00 WATR
+ATOM 861 OT HOH 146 -10.392 21.5179 25.3479 1.00 0.00 WATR
+ATOM 862 HT HOH 146 -9.6352 22.1038 25.3479 1.00 0.00 WATR
+ATOM 863 HT HOH 146 -11.149 22.1038 25.3479 1.00 0.00 WATR
+ATOM 864 OT HOH 147 -10.392 19.0547 27.8111 1.00 0.00 WATR
+ATOM 865 HT HOH 147 -9.6352 19.6406 27.8111 1.00 0.00 WATR
+ATOM 866 HT HOH 147 -11.149 19.6406 27.8111 1.00 0.00 WATR
+ATOM 867 OT HOH 148 -12.855 21.5179 27.8111 1.00 0.00 WATR
+ATOM 868 HT HOH 148 -12.098 22.1038 27.8111 1.00 0.00 WATR
+ATOM 869 HT HOH 148 -13.612 22.1038 27.8111 1.00 0.00 WATR
+ATOM 870 OT HOH 149 -12.855 19.0547 30.2743 1.00 0.00 WATR
+ATOM 871 HT HOH 149 -12.098 19.6406 30.2743 1.00 0.00 WATR
+ATOM 872 HT HOH 149 -13.612 19.6406 30.2743 1.00 0.00 WATR
+ATOM 873 OT HOH 150 -10.392 21.5179 30.2743 1.00 0.00 WATR
+ATOM 874 HT HOH 150 -9.6352 22.1038 30.2743 1.00 0.00 WATR
+ATOM 875 HT HOH 150 -11.149 22.1038 30.2743 1.00 0.00 WATR
+ATOM 876 OT HOH 151 -10.392 19.0547 32.7375 1.00 0.00 WATR
+ATOM 877 HT HOH 151 -9.6352 19.6406 32.7375 1.00 0.00 WATR
+ATOM 878 HT HOH 151 -11.149 19.6406 32.7375 1.00 0.00 WATR
+ATOM 879 OT HOH 152 -12.855 21.5179 32.7375 1.00 0.00 WATR
+ATOM 880 HT HOH 152 -12.098 22.1038 32.7375 1.00 0.00 WATR
+ATOM 881 HT HOH 152 -13.612 22.1038 32.7375 1.00 0.00 WATR
+ATOM 882 OT HOH 153 -7.9290 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 883 HT HOH 153 -7.1720 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 884 HT HOH 153 -8.6859 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 885 OT HOH 154 -5.4658 1.81228 -4.2105 1.00 0.00 WATR
+ATOM 886 HT HOH 154 -4.7088 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 887 HT HOH 154 -6.2227 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 888 OT HOH 155 -5.4658 -0.6509 -1.7473 1.00 0.00 WATR
+ATOM 889 HT HOH 155 -4.7088 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 890 HT HOH 155 -6.2227 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 891 OT HOH 156 -7.9290 1.81228 -1.7473 1.00 0.00 WATR
+ATOM 892 HT HOH 156 -7.1720 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 893 HT HOH 156 -8.6859 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 894 OT HOH 157 -7.9290 -0.6509 0.71587 1.00 0.00 WATR
+ATOM 895 HT HOH 157 -7.1720 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 896 HT HOH 157 -8.6859 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 897 OT HOH 158 -5.4658 1.81228 0.71587 1.00 0.00 WATR
+ATOM 898 HT HOH 158 -4.7088 2.39816 0.71587 1.00 0.00 WATR
+ATOM 899 HT HOH 158 -6.2227 2.39816 0.71587 1.00 0.00 WATR
+ATOM 900 OT HOH 159 -5.4658 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 901 HT HOH 159 -4.7088 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 902 HT HOH 159 -6.2227 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 903 OT HOH 160 -7.9290 1.81228 3.17907 1.00 0.00 WATR
+ATOM 904 HT HOH 160 -7.1720 2.39816 3.17907 1.00 0.00 WATR
+ATOM 905 HT HOH 160 -8.6859 2.39816 3.17907 1.00 0.00 WATR
+ATOM 906 OT HOH 161 -7.9290 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 907 HT HOH 161 -7.1720 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 908 HT HOH 161 -8.6859 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 909 OT HOH 162 -5.4658 1.81228 5.64228 1.00 0.00 WATR
+ATOM 910 HT HOH 162 -4.7088 2.39816 5.64228 1.00 0.00 WATR
+ATOM 911 HT HOH 162 -6.2227 2.39816 5.64228 1.00 0.00 WATR
+ATOM 912 OT HOH 163 -5.4658 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 913 HT HOH 163 -4.7088 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 914 HT HOH 163 -6.2227 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 915 OT HOH 164 -7.9290 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 916 HT HOH 164 -7.1720 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 917 HT HOH 164 -8.6859 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 918 OT HOH 165 -5.4658 1.81228 10.5686 1.00 0.00 WATR
+ATOM 919 HT HOH 165 -4.7088 2.39816 10.5686 1.00 0.00 WATR
+ATOM 920 HT HOH 165 -6.2227 2.39816 10.5686 1.00 0.00 WATR
+ATOM 921 OT HOH 166 -5.4658 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 922 HT HOH 166 -4.7088 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 923 HT HOH 166 -6.2227 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 924 OT HOH 167 -7.9290 1.81228 17.9583 1.00 0.00 WATR
+ATOM 925 HT HOH 167 -7.1720 2.39816 17.9583 1.00 0.00 WATR
+ATOM 926 HT HOH 167 -8.6859 2.39816 17.9583 1.00 0.00 WATR
+ATOM 927 OT HOH 168 -7.9290 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 928 HT HOH 168 -7.1720 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 929 HT HOH 168 -8.6859 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 930 OT HOH 169 -5.4658 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 931 HT HOH 169 -4.7088 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 932 HT HOH 169 -6.2227 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 933 OT HOH 170 -7.9290 1.81228 22.8847 1.00 0.00 WATR
+ATOM 934 HT HOH 170 -7.1720 2.39816 22.8847 1.00 0.00 WATR
+ATOM 935 HT HOH 170 -8.6859 2.39816 22.8847 1.00 0.00 WATR
+ATOM 936 OT HOH 171 -7.9290 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 937 HT HOH 171 -7.1720 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 938 HT HOH 171 -8.6859 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 939 OT HOH 172 -5.4658 1.81228 25.3479 1.00 0.00 WATR
+ATOM 940 HT HOH 172 -4.7088 2.39816 25.3479 1.00 0.00 WATR
+ATOM 941 HT HOH 172 -6.2227 2.39816 25.3479 1.00 0.00 WATR
+ATOM 942 OT HOH 173 -5.4658 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 943 HT HOH 173 -4.7088 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 944 HT HOH 173 -6.2227 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 945 OT HOH 174 -7.9290 1.81228 27.8111 1.00 0.00 WATR
+ATOM 946 HT HOH 174 -7.1720 2.39816 27.8111 1.00 0.00 WATR
+ATOM 947 HT HOH 174 -8.6859 2.39816 27.8111 1.00 0.00 WATR
+ATOM 948 OT HOH 175 -7.9290 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 949 HT HOH 175 -7.1720 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 950 HT HOH 175 -8.6859 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 951 OT HOH 176 -5.4658 1.81228 30.2743 1.00 0.00 WATR
+ATOM 952 HT HOH 176 -4.7088 2.39816 30.2743 1.00 0.00 WATR
+ATOM 953 HT HOH 176 -6.2227 2.39816 30.2743 1.00 0.00 WATR
+ATOM 954 OT HOH 177 -5.4658 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 955 HT HOH 177 -4.7088 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 956 HT HOH 177 -6.2227 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 957 OT HOH 178 -7.9290 1.81228 32.7375 1.00 0.00 WATR
+ATOM 958 HT HOH 178 -7.1720 2.39816 32.7375 1.00 0.00 WATR
+ATOM 959 HT HOH 178 -8.6859 2.39816 32.7375 1.00 0.00 WATR
+ATOM 960 OT HOH 179 -7.9290 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 961 HT HOH 179 -7.1720 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 962 HT HOH 179 -8.6859 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 963 OT HOH 180 -5.4658 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 964 HT HOH 180 -4.7088 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 965 HT HOH 180 -6.2227 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 966 OT HOH 181 -5.4658 4.27548 -1.7473 1.00 0.00 WATR
+ATOM 967 HT HOH 181 -4.7088 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 968 HT HOH 181 -6.2227 4.86136 -1.7473 1.00 0.00 WATR
+ATOM 969 OT HOH 182 -7.9290 6.73869 -1.7473 1.00 0.00 WATR
+ATOM 970 HT HOH 182 -7.1720 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 971 HT HOH 182 -8.6859 7.32457 -1.7473 1.00 0.00 WATR
+ATOM 972 OT HOH 183 -7.9290 4.27548 0.71587 1.00 0.00 WATR
+ATOM 973 HT HOH 183 -7.1720 4.86136 0.71587 1.00 0.00 WATR
+ATOM 974 HT HOH 183 -8.6859 4.86136 0.71587 1.00 0.00 WATR
+ATOM 975 OT HOH 184 -5.4658 6.73869 0.71587 1.00 0.00 WATR
+ATOM 976 HT HOH 184 -4.7088 7.32457 0.71587 1.00 0.00 WATR
+ATOM 977 HT HOH 184 -6.2227 7.32457 0.71587 1.00 0.00 WATR
+ATOM 978 OT HOH 185 -5.4658 4.27548 3.17907 1.00 0.00 WATR
+ATOM 979 HT HOH 185 -4.7088 4.86136 3.17907 1.00 0.00 WATR
+ATOM 980 HT HOH 185 -6.2227 4.86136 3.17907 1.00 0.00 WATR
+ATOM 981 OT HOH 186 -7.9290 6.73869 3.17907 1.00 0.00 WATR
+ATOM 982 HT HOH 186 -7.1720 7.32457 3.17907 1.00 0.00 WATR
+ATOM 983 HT HOH 186 -8.6859 7.32457 3.17907 1.00 0.00 WATR
+ATOM 984 OT HOH 187 -7.9290 4.27548 5.64228 1.00 0.00 WATR
+ATOM 985 HT HOH 187 -7.1720 4.86136 5.64228 1.00 0.00 WATR
+ATOM 986 HT HOH 187 -8.6859 4.86136 5.64228 1.00 0.00 WATR
+ATOM 987 OT HOH 188 -7.9290 6.73869 17.9583 1.00 0.00 WATR
+ATOM 988 HT HOH 188 -7.1720 7.32457 17.9583 1.00 0.00 WATR
+ATOM 989 HT HOH 188 -8.6859 7.32457 17.9583 1.00 0.00 WATR
+ATOM 990 OT HOH 189 -7.9290 4.27548 20.4215 1.00 0.00 WATR
+ATOM 991 HT HOH 189 -7.1720 4.86136 20.4215 1.00 0.00 WATR
+ATOM 992 HT HOH 189 -8.6859 4.86136 20.4215 1.00 0.00 WATR
+ATOM 993 OT HOH 190 -7.9290 4.27548 25.3479 1.00 0.00 WATR
+ATOM 994 HT HOH 190 -7.1720 4.86136 25.3479 1.00 0.00 WATR
+ATOM 995 HT HOH 190 -8.6859 4.86136 25.3479 1.00 0.00 WATR
+ATOM 996 OT HOH 191 -5.4658 4.27548 27.8111 1.00 0.00 WATR
+ATOM 997 HT HOH 191 -4.7088 4.86136 27.8111 1.00 0.00 WATR
+ATOM 998 HT HOH 191 -6.2227 4.86136 27.8111 1.00 0.00 WATR
+ATOM 999 OT HOH 192 -7.9290 4.27548 30.2743 1.00 0.00 WATR
+ATOM 1000 HT HOH 192 -7.1720 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1001 HT HOH 192 -8.6859 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1002 OT HOH 193 -5.4658 6.73869 30.2743 1.00 0.00 WATR
+ATOM 1003 HT HOH 193 -4.7088 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1004 HT HOH 193 -6.2227 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1005 OT HOH 194 -5.4658 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1006 HT HOH 194 -4.7088 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1007 HT HOH 194 -6.2227 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1008 OT HOH 195 -7.9290 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1009 HT HOH 195 -7.1720 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1010 HT HOH 195 -8.6859 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1011 OT HOH 196 -7.9290 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 1012 HT HOH 196 -7.1720 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1013 HT HOH 196 -8.6859 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1014 OT HOH 197 -7.9290 9.20189 0.71587 1.00 0.00 WATR
+ATOM 1015 HT HOH 197 -7.1720 9.78777 0.71587 1.00 0.00 WATR
+ATOM 1016 HT HOH 197 -8.6859 9.78777 0.71587 1.00 0.00 WATR
+ATOM 1017 OT HOH 198 -7.9290 9.20189 15.4951 1.00 0.00 WATR
+ATOM 1018 HT HOH 198 -7.1720 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1019 HT HOH 198 -8.6859 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1020 OT HOH 199 -5.4658 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1021 HT HOH 199 -4.7088 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1022 HT HOH 199 -6.2227 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1023 OT HOH 200 -7.9290 11.6651 32.7375 1.00 0.00 WATR
+ATOM 1024 HT HOH 200 -7.1720 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1025 HT HOH 200 -8.6859 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1026 OT HOH 201 -7.9290 14.1283 -4.2105 1.00 0.00 WATR
+ATOM 1027 HT HOH 201 -7.1720 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 1028 HT HOH 201 -8.6859 14.7141 -4.2105 1.00 0.00 WATR
+ATOM 1029 OT HOH 202 -7.9290 16.5915 8.10548 1.00 0.00 WATR
+ATOM 1030 HT HOH 202 -7.1720 17.1773 8.10548 1.00 0.00 WATR
+ATOM 1031 HT HOH 202 -8.6859 17.1773 8.10548 1.00 0.00 WATR
+ATOM 1032 OT HOH 203 -7.9290 14.1283 10.5686 1.00 0.00 WATR
+ATOM 1033 HT HOH 203 -7.1720 14.7141 10.5686 1.00 0.00 WATR
+ATOM 1034 HT HOH 203 -8.6859 14.7141 10.5686 1.00 0.00 WATR
+ATOM 1035 OT HOH 204 -7.9290 16.5915 27.8111 1.00 0.00 WATR
+ATOM 1036 HT HOH 204 -7.1720 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1037 HT HOH 204 -8.6859 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1038 OT HOH 205 -7.9290 14.1283 30.2743 1.00 0.00 WATR
+ATOM 1039 HT HOH 205 -7.1720 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1040 HT HOH 205 -8.6859 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1041 OT HOH 206 -5.4658 16.5915 30.2743 1.00 0.00 WATR
+ATOM 1042 HT HOH 206 -4.7088 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1043 HT HOH 206 -6.2227 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1044 SOD ION 207 -7.9290 16.5915 32.7375 1.00 0.00 SALT
+ATOM 1045 OT HOH 208 -7.9290 19.0547 -4.2105 1.00 0.00 WATR
+ATOM 1046 HT HOH 208 -7.1720 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1047 HT HOH 208 -8.6859 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1048 OT HOH 209 -5.4658 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1049 HT HOH 209 -4.7088 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1050 HT HOH 209 -6.2227 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1051 OT HOH 210 -7.9290 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1052 HT HOH 210 -7.1720 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1053 HT HOH 210 -8.6859 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1054 OT HOH 211 -7.9290 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1055 HT HOH 211 -7.1720 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1056 HT HOH 211 -8.6859 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1057 OT HOH 212 -7.9290 19.0547 5.64228 1.00 0.00 WATR
+ATOM 1058 HT HOH 212 -7.1720 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1059 HT HOH 212 -8.6859 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1060 OT HOH 213 -5.4658 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1061 HT HOH 213 -4.7088 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1062 HT HOH 213 -6.2227 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1063 OT HOH 214 -7.9290 21.5179 8.10548 1.00 0.00 WATR
+ATOM 1064 HT HOH 214 -7.1720 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1065 HT HOH 214 -8.6859 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1066 OT HOH 215 -5.4658 21.5179 20.4215 1.00 0.00 WATR
+ATOM 1067 HT HOH 215 -4.7088 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1068 HT HOH 215 -6.2227 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1069 OT HOH 216 -7.9290 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1070 HT HOH 216 -7.1720 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1071 HT HOH 216 -8.6859 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1072 OT HOH 217 -5.4658 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1073 HT HOH 217 -4.7088 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1074 HT HOH 217 -6.2227 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1075 OT HOH 218 -5.4658 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1076 HT HOH 218 -4.7088 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1077 HT HOH 218 -6.2227 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1078 OT HOH 219 -7.9290 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1079 HT HOH 219 -7.1720 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1080 HT HOH 219 -8.6859 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1081 OT HOH 220 -7.9290 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1082 HT HOH 220 -7.1720 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1083 HT HOH 220 -8.6859 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1084 OT HOH 221 -5.4658 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1085 HT HOH 221 -4.7088 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1086 HT HOH 221 -6.2227 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1087 OT HOH 222 -5.4658 19.0547 32.7375 1.00 0.00 WATR
+ATOM 1088 HT HOH 222 -4.7088 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1089 HT HOH 222 -6.2227 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1090 OT HOH 223 -7.9290 21.5179 32.7375 1.00 0.00 WATR
+ATOM 1091 HT HOH 223 -7.1720 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1092 HT HOH 223 -8.6859 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1093 OT HOH 224 -3.0026 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 1094 HT HOH 224 -2.2456 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1095 HT HOH 224 -3.7595 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1096 OT HOH 225 -0.5393 1.81228 -4.2105 1.00 0.00 WATR
+ATOM 1097 HT HOH 225 0.21755 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1098 HT HOH 225 -1.2963 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1099 OT HOH 226 -0.5393 -0.6509 -1.7473 1.00 0.00 WATR
+ATOM 1100 HT HOH 226 0.21755 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1101 HT HOH 226 -1.2963 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1102 OT HOH 227 -3.0026 1.81228 -1.7473 1.00 0.00 WATR
+ATOM 1103 HT HOH 227 -2.2456 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 1104 HT HOH 227 -3.7595 2.39816 -1.7473 1.00 0.00 WATR
+ATOM 1105 OT HOH 228 -3.0026 -0.6509 0.71587 1.00 0.00 WATR
+ATOM 1106 HT HOH 228 -2.2456 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 1107 HT HOH 228 -3.7595 -0.0650 0.71587 1.00 0.00 WATR
+ATOM 1108 OT HOH 229 -0.5393 1.81228 0.71587 1.00 0.00 WATR
+ATOM 1109 HT HOH 229 0.21755 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1110 HT HOH 229 -1.2963 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1111 OT HOH 230 -0.5393 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 1112 HT HOH 230 0.21755 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1113 HT HOH 230 -1.2963 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1114 OT HOH 231 -3.0026 1.81228 3.17907 1.00 0.00 WATR
+ATOM 1115 HT HOH 231 -2.2456 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1116 HT HOH 231 -3.7595 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1117 OT HOH 232 -3.0026 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 1118 HT HOH 232 -2.2456 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1119 HT HOH 232 -3.7595 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1120 OT HOH 233 -0.5393 1.81228 5.64228 1.00 0.00 WATR
+ATOM 1121 HT HOH 233 0.21755 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1122 HT HOH 233 -1.2963 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1123 OT HOH 234 -0.5393 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 1124 HT HOH 234 0.21755 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1125 HT HOH 234 -1.2963 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1126 OT HOH 235 -3.0026 1.81228 8.10548 1.00 0.00 WATR
+ATOM 1127 HT HOH 235 -2.2456 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1128 HT HOH 235 -3.7595 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1129 OT HOH 236 -3.0026 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 1130 HT HOH 236 -2.2456 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1131 HT HOH 236 -3.7595 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1132 OT HOH 237 -0.5393 1.81228 10.5686 1.00 0.00 WATR
+ATOM 1133 HT HOH 237 0.21755 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1134 HT HOH 237 -1.2963 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1135 OT HOH 238 -0.5393 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 1136 HT HOH 238 0.21755 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1137 HT HOH 238 -1.2963 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1138 OT HOH 239 -0.5393 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 1139 HT HOH 239 0.21755 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1140 HT HOH 239 -1.2963 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1141 OT HOH 240 -3.0026 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 1142 HT HOH 240 -2.2456 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1143 HT HOH 240 -3.7595 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1144 OT HOH 241 -0.5393 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 1145 HT HOH 241 0.21755 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1146 HT HOH 241 -1.2963 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1147 OT HOH 242 -3.0026 1.81228 22.8847 1.00 0.00 WATR
+ATOM 1148 HT HOH 242 -2.2456 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1149 HT HOH 242 -3.7595 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1150 OT HOH 243 -3.0026 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 1151 HT HOH 243 -2.2456 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1152 HT HOH 243 -3.7595 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1153 OT HOH 244 -0.5393 1.81228 25.3479 1.00 0.00 WATR
+ATOM 1154 HT HOH 244 0.21755 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1155 HT HOH 244 -1.2963 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1156 OT HOH 245 -0.5393 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 1157 HT HOH 245 0.21755 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1158 HT HOH 245 -1.2963 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1159 OT HOH 246 -3.0026 1.81228 27.8111 1.00 0.00 WATR
+ATOM 1160 HT HOH 246 -2.2456 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1161 HT HOH 246 -3.7595 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1162 OT HOH 247 -3.0026 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 1163 HT HOH 247 -2.2456 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1164 HT HOH 247 -3.7595 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1165 OT HOH 248 -0.5393 1.81228 30.2743 1.00 0.00 WATR
+ATOM 1166 HT HOH 248 0.21755 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1167 HT HOH 248 -1.2963 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1168 OT HOH 249 -0.5393 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 1169 HT HOH 249 0.21755 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1170 HT HOH 249 -1.2963 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1171 OT HOH 250 -3.0026 1.81228 32.7375 1.00 0.00 WATR
+ATOM 1172 HT HOH 250 -2.2456 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1173 HT HOH 250 -3.7595 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1174 OT HOH 251 -3.0026 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 1175 HT HOH 251 -2.2456 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1176 HT HOH 251 -3.7595 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1177 OT HOH 252 -0.5393 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 1178 HT HOH 252 0.21755 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1179 HT HOH 252 -1.2963 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1180 OT HOH 253 -3.0026 4.27548 0.71587 1.00 0.00 WATR
+ATOM 1181 HT HOH 253 -2.2456 4.86136 0.71587 1.00 0.00 WATR
+ATOM 1182 HT HOH 253 -3.7595 4.86136 0.71587 1.00 0.00 WATR
+ATOM 1183 OT HOH 254 -3.0026 4.27548 5.64228 1.00 0.00 WATR
+ATOM 1184 HT HOH 254 -2.2456 4.86136 5.64228 1.00 0.00 WATR
+ATOM 1185 HT HOH 254 -3.7595 4.86136 5.64228 1.00 0.00 WATR
+ATOM 1186 OT HOH 255 -0.5393 4.27548 8.10548 1.00 0.00 WATR
+ATOM 1187 HT HOH 255 0.21755 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1188 HT HOH 255 -1.2963 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1189 OT HOH 256 -3.0026 4.27548 10.5686 1.00 0.00 WATR
+ATOM 1190 HT HOH 256 -2.2456 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1191 HT HOH 256 -3.7595 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1192 OT HOH 257 -0.5393 4.27548 13.0318 1.00 0.00 WATR
+ATOM 1193 HT HOH 257 0.21755 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1194 HT HOH 257 -1.2963 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1195 OT HOH 258 -0.5393 4.27548 27.8111 1.00 0.00 WATR
+ATOM 1196 HT HOH 258 0.21755 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1197 HT HOH 258 -1.2963 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1198 OT HOH 259 -3.0026 4.27548 30.2743 1.00 0.00 WATR
+ATOM 1199 HT HOH 259 -2.2456 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1200 HT HOH 259 -3.7595 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1201 OT HOH 260 -0.5393 6.73869 30.2743 1.00 0.00 WATR
+ATOM 1202 HT HOH 260 0.21755 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1203 HT HOH 260 -1.2963 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1204 OT HOH 261 -0.5393 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1205 HT HOH 261 0.21755 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1206 HT HOH 261 -1.2963 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1207 OT HOH 262 -3.0026 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1208 HT HOH 262 -2.2456 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1209 HT HOH 262 -3.7595 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1210 OT HOH 263 -0.5393 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1211 HT HOH 263 0.21755 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1212 HT HOH 263 -1.2963 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1213 OT HOH 264 -0.5393 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1214 HT HOH 264 0.21755 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1215 HT HOH 264 -1.2963 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1216 OT HOH 265 -3.0026 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1217 HT HOH 265 -2.2456 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1218 HT HOH 265 -3.7595 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1219 OT HOH 266 -0.5393 21.5179 0.71587 1.00 0.00 WATR
+ATOM 1220 HT HOH 266 0.21755 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1221 HT HOH 266 -1.2963 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1222 OT HOH 267 -0.5393 19.0547 3.17907 1.00 0.00 WATR
+ATOM 1223 HT HOH 267 0.21755 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1224 HT HOH 267 -1.2963 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1225 OT HOH 268 -3.0026 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1226 HT HOH 268 -2.2456 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1227 HT HOH 268 -3.7595 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1228 OT HOH 269 -3.0026 19.0547 5.64228 1.00 0.00 WATR
+ATOM 1229 HT HOH 269 -2.2456 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1230 HT HOH 269 -3.7595 19.6406 5.64228 1.00 0.00 WATR
+ATOM 1231 OT HOH 270 -0.5393 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1232 HT HOH 270 0.21755 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1233 HT HOH 270 -1.2963 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1234 OT HOH 271 -0.5393 21.5179 15.4951 1.00 0.00 WATR
+ATOM 1235 HT HOH 271 0.21755 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1236 HT HOH 271 -1.2963 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1237 OT HOH 272 -3.0026 21.5179 17.9583 1.00 0.00 WATR
+ATOM 1238 HT HOH 272 -2.2456 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1239 HT HOH 272 -3.7595 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1240 OT HOH 273 -0.5393 21.5179 20.4215 1.00 0.00 WATR
+ATOM 1241 HT HOH 273 0.21755 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1242 HT HOH 273 -1.2963 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1243 OT HOH 274 -0.5393 19.0547 22.8847 1.00 0.00 WATR
+ATOM 1244 HT HOH 274 0.21755 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1245 HT HOH 274 -1.2963 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1246 OT HOH 275 -3.0026 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1247 HT HOH 275 -2.2456 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1248 HT HOH 275 -3.7595 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1249 OT HOH 276 -0.5393 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1250 HT HOH 276 0.21755 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1251 HT HOH 276 -1.2963 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1252 OT HOH 277 -0.5393 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1253 HT HOH 277 0.21755 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1254 HT HOH 277 -1.2963 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1255 OT HOH 278 -3.0026 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1256 HT HOH 278 -2.2456 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1257 HT HOH 278 -3.7595 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1258 OT HOH 279 -3.0026 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1259 HT HOH 279 -2.2456 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1260 HT HOH 279 -3.7595 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1261 OT HOH 280 -0.5393 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1262 HT HOH 280 0.21755 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1263 HT HOH 280 -1.2963 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1264 SOD ION 281 -0.5393 19.0547 32.7375 1.00 0.00 SALT
+ATOM 1265 OT HOH 282 -3.0026 21.5179 32.7375 1.00 0.00 WATR
+ATOM 1266 HT HOH 282 -2.2456 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1267 HT HOH 282 -3.7595 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1268 OT HOH 283 1.92380 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 1269 HT HOH 283 2.68075 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1270 HT HOH 283 1.16685 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1271 OT HOH 284 1.92380 1.81228 3.17907 1.00 0.00 WATR
+ATOM 1272 HT HOH 284 2.68075 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1273 HT HOH 284 1.16685 2.39816 3.17907 1.00 0.00 WATR
+ATOM 1274 OT HOH 285 1.92380 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 1275 HT HOH 285 2.68075 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1276 HT HOH 285 1.16685 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1277 OT HOH 286 4.38701 1.81228 5.64228 1.00 0.00 WATR
+ATOM 1278 HT HOH 286 5.14396 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1279 HT HOH 286 3.63006 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1280 OT HOH 287 4.38701 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 1281 HT HOH 287 5.14396 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1282 HT HOH 287 3.63006 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1283 OT HOH 288 1.92380 1.81228 8.10548 1.00 0.00 WATR
+ATOM 1284 HT HOH 288 2.68075 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1285 HT HOH 288 1.16685 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1286 OT HOH 289 1.92380 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 1287 HT HOH 289 2.68075 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1288 HT HOH 289 1.16685 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1289 OT HOH 290 4.38701 1.81228 10.5686 1.00 0.00 WATR
+ATOM 1290 HT HOH 290 5.14396 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1291 HT HOH 290 3.63006 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1292 OT HOH 291 4.38701 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 1293 HT HOH 291 5.14396 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1294 HT HOH 291 3.63006 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1295 OT HOH 292 1.92380 1.81228 13.0318 1.00 0.00 WATR
+ATOM 1296 HT HOH 292 2.68075 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1297 HT HOH 292 1.16685 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1298 OT HOH 293 1.92380 -0.6509 15.4951 1.00 0.00 WATR
+ATOM 1299 HT HOH 293 2.68075 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1300 HT HOH 293 1.16685 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1301 OT HOH 294 4.38701 1.81228 15.4951 1.00 0.00 WATR
+ATOM 1302 HT HOH 294 5.14396 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1303 HT HOH 294 3.63006 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1304 OT HOH 295 4.38701 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 1305 HT HOH 295 5.14396 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1306 HT HOH 295 3.63006 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1307 OT HOH 296 1.92380 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 1308 HT HOH 296 2.68075 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1309 HT HOH 296 1.16685 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1310 OT HOH 297 4.38701 1.81228 20.4215 1.00 0.00 WATR
+ATOM 1311 HT HOH 297 5.14396 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1312 HT HOH 297 3.63006 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1313 OT HOH 298 4.38701 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 1314 HT HOH 298 5.14396 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1315 HT HOH 298 3.63006 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1316 OT HOH 299 1.92380 1.81228 22.8847 1.00 0.00 WATR
+ATOM 1317 HT HOH 299 2.68075 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1318 HT HOH 299 1.16685 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1319 OT HOH 300 1.92380 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 1320 HT HOH 300 2.68075 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1321 HT HOH 300 1.16685 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1322 OT HOH 301 4.38701 1.81228 25.3479 1.00 0.00 WATR
+ATOM 1323 HT HOH 301 5.14396 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1324 HT HOH 301 3.63006 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1325 OT HOH 302 4.38701 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 1326 HT HOH 302 5.14396 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1327 HT HOH 302 3.63006 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1328 OT HOH 303 1.92380 1.81228 27.8111 1.00 0.00 WATR
+ATOM 1329 HT HOH 303 2.68075 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1330 HT HOH 303 1.16685 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1331 OT HOH 304 1.92380 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 1332 HT HOH 304 2.68075 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1333 HT HOH 304 1.16685 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1334 SOD ION 305 4.38701 1.81228 30.2743 1.00 0.00 SALT
+ATOM 1335 OT HOH 306 4.38701 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 1336 HT HOH 306 5.14396 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1337 HT HOH 306 3.63006 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1338 OT HOH 307 1.92380 1.81228 32.7375 1.00 0.00 WATR
+ATOM 1339 HT HOH 307 2.68075 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1340 HT HOH 307 1.16685 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1341 OT HOH 308 1.92380 4.27548 -4.2105 1.00 0.00 WATR
+ATOM 1342 HT HOH 308 2.68075 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1343 HT HOH 308 1.16685 4.86136 -4.2105 1.00 0.00 WATR
+ATOM 1344 OT HOH 309 4.38701 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 1345 HT HOH 309 5.14396 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1346 HT HOH 309 3.63006 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1347 OT HOH 310 4.38701 4.27548 8.10548 1.00 0.00 WATR
+ATOM 1348 HT HOH 310 5.14396 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1349 HT HOH 310 3.63006 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1350 SOD ION 311 1.92380 6.73869 8.10548 1.00 0.00 SALT
+ATOM 1351 OT HOH 312 1.92380 4.27548 10.5686 1.00 0.00 WATR
+ATOM 1352 HT HOH 312 2.68075 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1353 HT HOH 312 1.16685 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1354 OT HOH 313 4.38701 6.73869 10.5686 1.00 0.00 WATR
+ATOM 1355 HT HOH 313 5.14396 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1356 HT HOH 313 3.63006 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1357 OT HOH 314 4.38701 4.27548 13.0318 1.00 0.00 WATR
+ATOM 1358 HT HOH 314 5.14396 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1359 HT HOH 314 3.63006 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1360 OT HOH 315 1.92380 6.73869 13.0318 1.00 0.00 WATR
+ATOM 1361 HT HOH 315 2.68075 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1362 HT HOH 315 1.16685 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1363 OT HOH 316 1.92380 4.27548 15.4951 1.00 0.00 WATR
+ATOM 1364 HT HOH 316 2.68075 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1365 HT HOH 316 1.16685 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1366 OT HOH 317 4.38701 6.73869 15.4951 1.00 0.00 WATR
+ATOM 1367 HT HOH 317 5.14396 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1368 HT HOH 317 3.63006 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1369 OT HOH 318 4.38701 4.27548 17.9583 1.00 0.00 WATR
+ATOM 1370 HT HOH 318 5.14396 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1371 HT HOH 318 3.63006 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1372 OT HOH 319 4.38701 6.73869 20.4215 1.00 0.00 WATR
+ATOM 1373 HT HOH 319 5.14396 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1374 HT HOH 319 3.63006 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1375 OT HOH 320 4.38701 4.27548 22.8847 1.00 0.00 WATR
+ATOM 1376 HT HOH 320 5.14396 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1377 HT HOH 320 3.63006 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1378 OT HOH 321 1.92380 4.27548 25.3479 1.00 0.00 WATR
+ATOM 1379 HT HOH 321 2.68075 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1380 HT HOH 321 1.16685 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1381 OT HOH 322 4.38701 6.73869 25.3479 1.00 0.00 WATR
+ATOM 1382 HT HOH 322 5.14396 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1383 HT HOH 322 3.63006 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1384 SOD ION 323 4.38701 4.27548 27.8111 1.00 0.00 SALT
+ATOM 1385 SOD ION 324 1.92380 6.73869 27.8111 1.00 0.00 SALT
+ATOM 1386 OT HOH 325 1.92380 4.27548 30.2743 1.00 0.00 WATR
+ATOM 1387 HT HOH 325 2.68075 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1388 HT HOH 325 1.16685 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1389 OT HOH 326 4.38701 6.73869 30.2743 1.00 0.00 WATR
+ATOM 1390 HT HOH 326 5.14396 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1391 HT HOH 326 3.63006 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1392 OT HOH 327 4.38701 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1393 HT HOH 327 5.14396 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1394 HT HOH 327 3.63006 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1395 OT HOH 328 1.92380 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1396 HT HOH 328 2.68075 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1397 HT HOH 328 1.16685 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1398 OT HOH 329 1.92380 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 1399 HT HOH 329 2.68075 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1400 HT HOH 329 1.16685 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1401 OT HOH 330 4.38701 11.6651 -4.2105 1.00 0.00 WATR
+ATOM 1402 HT HOH 330 5.14396 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1403 HT HOH 330 3.63006 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1404 OT HOH 331 4.38701 9.20189 13.0318 1.00 0.00 WATR
+ATOM 1405 HT HOH 331 5.14396 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1406 HT HOH 331 3.63006 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1407 OT HOH 332 4.38701 11.6651 15.4951 1.00 0.00 WATR
+ATOM 1408 HT HOH 332 5.14396 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1409 HT HOH 332 3.63006 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1410 OT HOH 333 4.38701 9.20189 17.9583 1.00 0.00 WATR
+ATOM 1411 HT HOH 333 5.14396 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1412 HT HOH 333 3.63006 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1413 OT HOH 334 1.92380 11.6651 17.9583 1.00 0.00 WATR
+ATOM 1414 HT HOH 334 2.68075 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1415 HT HOH 334 1.16685 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1416 OT HOH 335 4.38701 11.6651 20.4215 1.00 0.00 WATR
+ATOM 1417 HT HOH 335 5.14396 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1418 HT HOH 335 3.63006 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1419 OT HOH 336 4.38701 9.20189 22.8847 1.00 0.00 WATR
+ATOM 1420 HT HOH 336 5.14396 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1421 HT HOH 336 3.63006 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1422 OT HOH 337 1.92380 11.6651 22.8847 1.00 0.00 WATR
+ATOM 1423 HT HOH 337 2.68075 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1424 HT HOH 337 1.16685 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1425 OT HOH 338 4.38701 11.6651 25.3479 1.00 0.00 WATR
+ATOM 1426 HT HOH 338 5.14396 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1427 HT HOH 338 3.63006 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1428 SOD ION 339 4.38701 9.20189 27.8111 1.00 0.00 SALT
+ATOM 1429 SOD ION 340 1.92380 9.20189 30.2743 1.00 0.00 SALT
+ATOM 1430 OT HOH 341 4.38701 11.6651 30.2743 1.00 0.00 WATR
+ATOM 1431 HT HOH 341 5.14396 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1432 HT HOH 341 3.63006 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1433 OT HOH 342 4.38701 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1434 HT HOH 342 5.14396 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1435 HT HOH 342 3.63006 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1436 OT HOH 343 1.92380 11.6651 32.7375 1.00 0.00 WATR
+ATOM 1437 HT HOH 343 2.68075 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1438 HT HOH 343 1.16685 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1439 OT HOH 344 4.38701 16.5915 -4.2105 1.00 0.00 WATR
+ATOM 1440 HT HOH 344 5.14396 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1441 HT HOH 344 3.63006 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1442 OT HOH 345 4.38701 14.1283 -1.7473 1.00 0.00 WATR
+ATOM 1443 HT HOH 345 5.14396 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 1444 HT HOH 345 3.63006 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 1445 OT HOH 346 4.38701 16.5915 0.71587 1.00 0.00 WATR
+ATOM 1446 HT HOH 346 5.14396 17.1773 0.71587 1.00 0.00 WATR
+ATOM 1447 HT HOH 346 3.63006 17.1773 0.71587 1.00 0.00 WATR
+ATOM 1448 OT HOH 347 1.92380 16.5915 3.17907 1.00 0.00 WATR
+ATOM 1449 HT HOH 347 2.68075 17.1773 3.17907 1.00 0.00 WATR
+ATOM 1450 HT HOH 347 1.16685 17.1773 3.17907 1.00 0.00 WATR
+ATOM 1451 OT HOH 348 4.38701 16.5915 15.4951 1.00 0.00 WATR
+ATOM 1452 HT HOH 348 5.14396 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1453 HT HOH 348 3.63006 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1454 OT HOH 349 4.38701 14.1283 17.9583 1.00 0.00 WATR
+ATOM 1455 HT HOH 349 5.14396 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1456 HT HOH 349 3.63006 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1457 OT HOH 350 1.92380 16.5915 17.9583 1.00 0.00 WATR
+ATOM 1458 HT HOH 350 2.68075 17.1773 17.9583 1.00 0.00 WATR
+ATOM 1459 HT HOH 350 1.16685 17.1773 17.9583 1.00 0.00 WATR
+ATOM 1460 OT HOH 351 1.92380 14.1283 20.4215 1.00 0.00 WATR
+ATOM 1461 HT HOH 351 2.68075 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1462 HT HOH 351 1.16685 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1463 OT HOH 352 4.38701 16.5915 20.4215 1.00 0.00 WATR
+ATOM 1464 HT HOH 352 5.14396 17.1773 20.4215 1.00 0.00 WATR
+ATOM 1465 HT HOH 352 3.63006 17.1773 20.4215 1.00 0.00 WATR
+ATOM 1466 OT HOH 353 4.38701 14.1283 22.8847 1.00 0.00 WATR
+ATOM 1467 HT HOH 353 5.14396 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1468 HT HOH 353 3.63006 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1469 OT HOH 354 1.92380 16.5915 22.8847 1.00 0.00 WATR
+ATOM 1470 HT HOH 354 2.68075 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1471 HT HOH 354 1.16685 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1472 OT HOH 355 4.38701 16.5915 25.3479 1.00 0.00 WATR
+ATOM 1473 HT HOH 355 5.14396 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1474 HT HOH 355 3.63006 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1475 OT HOH 356 4.38701 14.1283 27.8111 1.00 0.00 WATR
+ATOM 1476 HT HOH 356 5.14396 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1477 HT HOH 356 3.63006 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1478 OT HOH 357 1.92380 16.5915 27.8111 1.00 0.00 WATR
+ATOM 1479 HT HOH 357 2.68075 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1480 HT HOH 357 1.16685 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1481 OT HOH 358 1.92380 14.1283 30.2743 1.00 0.00 WATR
+ATOM 1482 HT HOH 358 2.68075 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1483 HT HOH 358 1.16685 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1484 OT HOH 359 4.38701 16.5915 30.2743 1.00 0.00 WATR
+ATOM 1485 HT HOH 359 5.14396 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1486 HT HOH 359 3.63006 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1487 OT HOH 360 4.38701 14.1283 32.7375 1.00 0.00 WATR
+ATOM 1488 HT HOH 360 5.14396 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1489 HT HOH 360 3.63006 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1490 OT HOH 361 1.92380 16.5915 32.7375 1.00 0.00 WATR
+ATOM 1491 HT HOH 361 2.68075 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1492 HT HOH 361 1.16685 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1493 OT HOH 362 4.38701 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1494 HT HOH 362 5.14396 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1495 HT HOH 362 3.63006 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1496 OT HOH 363 4.38701 19.0547 -1.7473 1.00 0.00 WATR
+ATOM 1497 HT HOH 363 5.14396 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1498 HT HOH 363 3.63006 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1499 OT HOH 364 1.92380 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1500 HT HOH 364 2.68075 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1501 HT HOH 364 1.16685 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1502 OT HOH 365 1.92380 19.0547 0.71587 1.00 0.00 WATR
+ATOM 1503 HT HOH 365 2.68075 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1504 HT HOH 365 1.16685 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1505 OT HOH 366 4.38701 21.5179 0.71587 1.00 0.00 WATR
+ATOM 1506 HT HOH 366 5.14396 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1507 HT HOH 366 3.63006 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1508 OT HOH 367 4.38701 19.0547 3.17907 1.00 0.00 WATR
+ATOM 1509 HT HOH 367 5.14396 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1510 HT HOH 367 3.63006 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1511 OT HOH 368 1.92380 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1512 HT HOH 368 2.68075 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1513 HT HOH 368 1.16685 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1514 OT HOH 369 4.38701 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1515 HT HOH 369 5.14396 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1516 HT HOH 369 3.63006 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1517 OT HOH 370 4.38701 21.5179 10.5686 1.00 0.00 WATR
+ATOM 1518 HT HOH 370 5.14396 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1519 HT HOH 370 3.63006 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1520 OT HOH 371 4.38701 19.0547 13.0318 1.00 0.00 WATR
+ATOM 1521 HT HOH 371 5.14396 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1522 HT HOH 371 3.63006 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1523 SOD ION 372 1.92380 19.0547 15.4951 1.00 0.00 SALT
+ATOM 1524 OT HOH 373 4.38701 21.5179 15.4951 1.00 0.00 WATR
+ATOM 1525 HT HOH 373 5.14396 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1526 HT HOH 373 3.63006 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1527 OT HOH 374 4.38701 19.0547 17.9583 1.00 0.00 WATR
+ATOM 1528 HT HOH 374 5.14396 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1529 HT HOH 374 3.63006 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1530 OT HOH 375 1.92380 21.5179 17.9583 1.00 0.00 WATR
+ATOM 1531 HT HOH 375 2.68075 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1532 HT HOH 375 1.16685 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1533 OT HOH 376 1.92380 19.0547 20.4215 1.00 0.00 WATR
+ATOM 1534 HT HOH 376 2.68075 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1535 HT HOH 376 1.16685 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1536 OT HOH 377 4.38701 21.5179 20.4215 1.00 0.00 WATR
+ATOM 1537 HT HOH 377 5.14396 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1538 HT HOH 377 3.63006 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1539 OT HOH 378 4.38701 19.0547 22.8847 1.00 0.00 WATR
+ATOM 1540 HT HOH 378 5.14396 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1541 HT HOH 378 3.63006 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1542 OT HOH 379 1.92380 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1543 HT HOH 379 2.68075 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1544 HT HOH 379 1.16685 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1545 OT HOH 380 1.92380 19.0547 25.3479 1.00 0.00 WATR
+ATOM 1546 HT HOH 380 2.68075 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1547 HT HOH 380 1.16685 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1548 OT HOH 381 4.38701 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1549 HT HOH 381 5.14396 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1550 HT HOH 381 3.63006 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1551 OT HOH 382 4.38701 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1552 HT HOH 382 5.14396 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1553 HT HOH 382 3.63006 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1554 OT HOH 383 1.92380 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1555 HT HOH 383 2.68075 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1556 HT HOH 383 1.16685 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1557 OT HOH 384 1.92380 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1558 HT HOH 384 2.68075 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1559 HT HOH 384 1.16685 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1560 OT HOH 385 4.38701 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1561 HT HOH 385 5.14396 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1562 HT HOH 385 3.63006 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1563 OT HOH 386 4.38701 19.0547 32.7375 1.00 0.00 WATR
+ATOM 1564 HT HOH 386 5.14396 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1565 HT HOH 386 3.63006 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1566 OT HOH 387 1.92380 21.5179 32.7375 1.00 0.00 WATR
+ATOM 1567 HT HOH 387 2.68075 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1568 HT HOH 387 1.16685 22.1038 32.7375 1.00 0.00 WATR
+ATOM 1569 OT HOH 388 6.85021 -0.6509 -4.2105 1.00 0.00 WATR
+ATOM 1570 HT HOH 388 7.60716 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1571 HT HOH 388 6.09326 -0.0650 -4.2105 1.00 0.00 WATR
+ATOM 1572 OT HOH 389 9.31342 1.81228 -4.2105 1.00 0.00 WATR
+ATOM 1573 HT HOH 389 10.0703 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1574 HT HOH 389 8.55647 2.39816 -4.2105 1.00 0.00 WATR
+ATOM 1575 OT HOH 390 9.31342 -0.6509 -1.7473 1.00 0.00 WATR
+ATOM 1576 HT HOH 390 10.0703 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1577 HT HOH 390 8.55647 -0.0650 -1.7473 1.00 0.00 WATR
+ATOM 1578 OT HOH 391 9.31342 1.81228 0.71587 1.00 0.00 WATR
+ATOM 1579 HT HOH 391 10.0703 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1580 HT HOH 391 8.55647 2.39816 0.71587 1.00 0.00 WATR
+ATOM 1581 OT HOH 392 9.31342 -0.6509 3.17907 1.00 0.00 WATR
+ATOM 1582 HT HOH 392 10.0703 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1583 HT HOH 392 8.55647 -0.0650 3.17907 1.00 0.00 WATR
+ATOM 1584 OT HOH 393 6.85021 -0.6509 5.64228 1.00 0.00 WATR
+ATOM 1585 HT HOH 393 7.60716 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1586 HT HOH 393 6.09326 -0.0650 5.64228 1.00 0.00 WATR
+ATOM 1587 OT HOH 394 9.31342 1.81228 5.64228 1.00 0.00 WATR
+ATOM 1588 HT HOH 394 10.0703 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1589 HT HOH 394 8.55647 2.39816 5.64228 1.00 0.00 WATR
+ATOM 1590 OT HOH 395 9.31342 -0.6509 8.10548 1.00 0.00 WATR
+ATOM 1591 HT HOH 395 10.0703 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1592 HT HOH 395 8.55647 -0.0650 8.10548 1.00 0.00 WATR
+ATOM 1593 OT HOH 396 6.85021 1.81228 8.10548 1.00 0.00 WATR
+ATOM 1594 HT HOH 396 7.60716 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1595 HT HOH 396 6.09326 2.39816 8.10548 1.00 0.00 WATR
+ATOM 1596 OT HOH 397 6.85021 -0.6509 10.5686 1.00 0.00 WATR
+ATOM 1597 HT HOH 397 7.60716 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1598 HT HOH 397 6.09326 -0.0650 10.5686 1.00 0.00 WATR
+ATOM 1599 OT HOH 398 9.31342 1.81228 10.5686 1.00 0.00 WATR
+ATOM 1600 HT HOH 398 10.0703 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1601 HT HOH 398 8.55647 2.39816 10.5686 1.00 0.00 WATR
+ATOM 1602 OT HOH 399 9.31342 -0.6509 13.0318 1.00 0.00 WATR
+ATOM 1603 HT HOH 399 10.0703 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1604 HT HOH 399 8.55647 -0.0650 13.0318 1.00 0.00 WATR
+ATOM 1605 OT HOH 400 6.85021 1.81228 13.0318 1.00 0.00 WATR
+ATOM 1606 HT HOH 400 7.60716 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1607 HT HOH 400 6.09326 2.39816 13.0318 1.00 0.00 WATR
+ATOM 1608 OT HOH 401 6.85021 -0.6509 15.4951 1.00 0.00 WATR
+ATOM 1609 HT HOH 401 7.60716 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1610 HT HOH 401 6.09326 -0.0650 15.4951 1.00 0.00 WATR
+ATOM 1611 OT HOH 402 9.31342 1.81228 15.4951 1.00 0.00 WATR
+ATOM 1612 HT HOH 402 10.0703 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1613 HT HOH 402 8.55647 2.39816 15.4951 1.00 0.00 WATR
+ATOM 1614 OT HOH 403 9.31342 -0.6509 17.9583 1.00 0.00 WATR
+ATOM 1615 HT HOH 403 10.0703 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1616 HT HOH 403 8.55647 -0.0650 17.9583 1.00 0.00 WATR
+ATOM 1617 OT HOH 404 6.85021 1.81228 17.9583 1.00 0.00 WATR
+ATOM 1618 HT HOH 404 7.60716 2.39816 17.9583 1.00 0.00 WATR
+ATOM 1619 HT HOH 404 6.09326 2.39816 17.9583 1.00 0.00 WATR
+ATOM 1620 OT HOH 405 6.85021 -0.6509 20.4215 1.00 0.00 WATR
+ATOM 1621 HT HOH 405 7.60716 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1622 HT HOH 405 6.09326 -0.0650 20.4215 1.00 0.00 WATR
+ATOM 1623 OT HOH 406 9.31342 1.81228 20.4215 1.00 0.00 WATR
+ATOM 1624 HT HOH 406 10.0703 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1625 HT HOH 406 8.55647 2.39816 20.4215 1.00 0.00 WATR
+ATOM 1626 OT HOH 407 9.31342 -0.6509 22.8847 1.00 0.00 WATR
+ATOM 1627 HT HOH 407 10.0703 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1628 HT HOH 407 8.55647 -0.0650 22.8847 1.00 0.00 WATR
+ATOM 1629 OT HOH 408 6.85021 1.81228 22.8847 1.00 0.00 WATR
+ATOM 1630 HT HOH 408 7.60716 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1631 HT HOH 408 6.09326 2.39816 22.8847 1.00 0.00 WATR
+ATOM 1632 OT HOH 409 6.85021 -0.6509 25.3479 1.00 0.00 WATR
+ATOM 1633 HT HOH 409 7.60716 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1634 HT HOH 409 6.09326 -0.0650 25.3479 1.00 0.00 WATR
+ATOM 1635 OT HOH 410 9.31342 1.81228 25.3479 1.00 0.00 WATR
+ATOM 1636 HT HOH 410 10.0703 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1637 HT HOH 410 8.55647 2.39816 25.3479 1.00 0.00 WATR
+ATOM 1638 OT HOH 411 9.31342 -0.6509 27.8111 1.00 0.00 WATR
+ATOM 1639 HT HOH 411 10.0703 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1640 HT HOH 411 8.55647 -0.0650 27.8111 1.00 0.00 WATR
+ATOM 1641 OT HOH 412 6.85021 1.81228 27.8111 1.00 0.00 WATR
+ATOM 1642 HT HOH 412 7.60716 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1643 HT HOH 412 6.09326 2.39816 27.8111 1.00 0.00 WATR
+ATOM 1644 OT HOH 413 6.85021 -0.6509 30.2743 1.00 0.00 WATR
+ATOM 1645 HT HOH 413 7.60716 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1646 HT HOH 413 6.09326 -0.0650 30.2743 1.00 0.00 WATR
+ATOM 1647 OT HOH 414 9.31342 1.81228 30.2743 1.00 0.00 WATR
+ATOM 1648 HT HOH 414 10.0703 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1649 HT HOH 414 8.55647 2.39816 30.2743 1.00 0.00 WATR
+ATOM 1650 OT HOH 415 9.31342 -0.6509 32.7375 1.00 0.00 WATR
+ATOM 1651 HT HOH 415 10.0703 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1652 HT HOH 415 8.55647 -0.0650 32.7375 1.00 0.00 WATR
+ATOM 1653 OT HOH 416 6.85021 1.81228 32.7375 1.00 0.00 WATR
+ATOM 1654 HT HOH 416 7.60716 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1655 HT HOH 416 6.09326 2.39816 32.7375 1.00 0.00 WATR
+ATOM 1656 OT HOH 417 9.31342 6.73869 -4.2105 1.00 0.00 WATR
+ATOM 1657 HT HOH 417 10.0703 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1658 HT HOH 417 8.55647 7.32457 -4.2105 1.00 0.00 WATR
+ATOM 1659 OT HOH 418 9.31342 6.73869 5.64228 1.00 0.00 WATR
+ATOM 1660 HT HOH 418 10.0703 7.32457 5.64228 1.00 0.00 WATR
+ATOM 1661 HT HOH 418 8.55647 7.32457 5.64228 1.00 0.00 WATR
+ATOM 1662 OT HOH 419 9.31342 4.27548 8.10548 1.00 0.00 WATR
+ATOM 1663 HT HOH 419 10.0703 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1664 HT HOH 419 8.55647 4.86136 8.10548 1.00 0.00 WATR
+ATOM 1665 OT HOH 420 6.85021 6.73869 8.10548 1.00 0.00 WATR
+ATOM 1666 HT HOH 420 7.60716 7.32457 8.10548 1.00 0.00 WATR
+ATOM 1667 HT HOH 420 6.09326 7.32457 8.10548 1.00 0.00 WATR
+ATOM 1668 OT HOH 421 6.85021 4.27548 10.5686 1.00 0.00 WATR
+ATOM 1669 HT HOH 421 7.60716 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1670 HT HOH 421 6.09326 4.86136 10.5686 1.00 0.00 WATR
+ATOM 1671 OT HOH 422 9.31342 6.73869 10.5686 1.00 0.00 WATR
+ATOM 1672 HT HOH 422 10.0703 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1673 HT HOH 422 8.55647 7.32457 10.5686 1.00 0.00 WATR
+ATOM 1674 OT HOH 423 9.31342 4.27548 13.0318 1.00 0.00 WATR
+ATOM 1675 HT HOH 423 10.0703 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1676 HT HOH 423 8.55647 4.86136 13.0318 1.00 0.00 WATR
+ATOM 1677 OT HOH 424 6.85021 6.73869 13.0318 1.00 0.00 WATR
+ATOM 1678 HT HOH 424 7.60716 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1679 HT HOH 424 6.09326 7.32457 13.0318 1.00 0.00 WATR
+ATOM 1680 OT HOH 425 6.85021 4.27548 15.4951 1.00 0.00 WATR
+ATOM 1681 HT HOH 425 7.60716 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1682 HT HOH 425 6.09326 4.86136 15.4951 1.00 0.00 WATR
+ATOM 1683 OT HOH 426 9.31342 6.73869 15.4951 1.00 0.00 WATR
+ATOM 1684 HT HOH 426 10.0703 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1685 HT HOH 426 8.55647 7.32457 15.4951 1.00 0.00 WATR
+ATOM 1686 OT HOH 427 9.31342 4.27548 17.9583 1.00 0.00 WATR
+ATOM 1687 HT HOH 427 10.0703 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1688 HT HOH 427 8.55647 4.86136 17.9583 1.00 0.00 WATR
+ATOM 1689 OT HOH 428 6.85021 6.73869 17.9583 1.00 0.00 WATR
+ATOM 1690 HT HOH 428 7.60716 7.32457 17.9583 1.00 0.00 WATR
+ATOM 1691 HT HOH 428 6.09326 7.32457 17.9583 1.00 0.00 WATR
+ATOM 1692 OT HOH 429 6.85021 4.27548 20.4215 1.00 0.00 WATR
+ATOM 1693 HT HOH 429 7.60716 4.86136 20.4215 1.00 0.00 WATR
+ATOM 1694 HT HOH 429 6.09326 4.86136 20.4215 1.00 0.00 WATR
+ATOM 1695 OT HOH 430 9.31342 6.73869 20.4215 1.00 0.00 WATR
+ATOM 1696 HT HOH 430 10.0703 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1697 HT HOH 430 8.55647 7.32457 20.4215 1.00 0.00 WATR
+ATOM 1698 OT HOH 431 9.31342 4.27548 22.8847 1.00 0.00 WATR
+ATOM 1699 HT HOH 431 10.0703 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1700 HT HOH 431 8.55647 4.86136 22.8847 1.00 0.00 WATR
+ATOM 1701 OT HOH 432 6.85021 6.73869 22.8847 1.00 0.00 WATR
+ATOM 1702 HT HOH 432 7.60716 7.32457 22.8847 1.00 0.00 WATR
+ATOM 1703 HT HOH 432 6.09326 7.32457 22.8847 1.00 0.00 WATR
+ATOM 1704 OT HOH 433 6.85021 4.27548 25.3479 1.00 0.00 WATR
+ATOM 1705 HT HOH 433 7.60716 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1706 HT HOH 433 6.09326 4.86136 25.3479 1.00 0.00 WATR
+ATOM 1707 OT HOH 434 9.31342 6.73869 25.3479 1.00 0.00 WATR
+ATOM 1708 HT HOH 434 10.0703 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1709 HT HOH 434 8.55647 7.32457 25.3479 1.00 0.00 WATR
+ATOM 1710 OT HOH 435 9.31342 4.27548 27.8111 1.00 0.00 WATR
+ATOM 1711 HT HOH 435 10.0703 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1712 HT HOH 435 8.55647 4.86136 27.8111 1.00 0.00 WATR
+ATOM 1713 OT HOH 436 6.85021 6.73869 27.8111 1.00 0.00 WATR
+ATOM 1714 HT HOH 436 7.60716 7.32457 27.8111 1.00 0.00 WATR
+ATOM 1715 HT HOH 436 6.09326 7.32457 27.8111 1.00 0.00 WATR
+ATOM 1716 OT HOH 437 6.85021 4.27548 30.2743 1.00 0.00 WATR
+ATOM 1717 HT HOH 437 7.60716 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1718 HT HOH 437 6.09326 4.86136 30.2743 1.00 0.00 WATR
+ATOM 1719 OT HOH 438 9.31342 6.73869 30.2743 1.00 0.00 WATR
+ATOM 1720 HT HOH 438 10.0703 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1721 HT HOH 438 8.55647 7.32457 30.2743 1.00 0.00 WATR
+ATOM 1722 OT HOH 439 9.31342 4.27548 32.7375 1.00 0.00 WATR
+ATOM 1723 HT HOH 439 10.0703 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1724 HT HOH 439 8.55647 4.86136 32.7375 1.00 0.00 WATR
+ATOM 1725 OT HOH 440 6.85021 6.73869 32.7375 1.00 0.00 WATR
+ATOM 1726 HT HOH 440 7.60716 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1727 HT HOH 440 6.09326 7.32457 32.7375 1.00 0.00 WATR
+ATOM 1728 OT HOH 441 6.85021 9.20189 -4.2105 1.00 0.00 WATR
+ATOM 1729 HT HOH 441 7.60716 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1730 HT HOH 441 6.09326 9.78777 -4.2105 1.00 0.00 WATR
+ATOM 1731 OT HOH 442 9.31342 11.6651 -4.2105 1.00 0.00 WATR
+ATOM 1732 HT HOH 442 10.0703 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1733 HT HOH 442 8.55647 12.2509 -4.2105 1.00 0.00 WATR
+ATOM 1734 OT HOH 443 9.31342 9.20189 -1.7473 1.00 0.00 WATR
+ATOM 1735 HT HOH 443 10.0703 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 1736 HT HOH 443 8.55647 9.78777 -1.7473 1.00 0.00 WATR
+ATOM 1737 OT HOH 444 6.85021 11.6651 -1.7473 1.00 0.00 WATR
+ATOM 1738 HT HOH 444 7.60716 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 1739 HT HOH 444 6.09326 12.2509 -1.7473 1.00 0.00 WATR
+ATOM 1740 OT HOH 445 9.31342 11.6651 0.71587 1.00 0.00 WATR
+ATOM 1741 HT HOH 445 10.0703 12.2509 0.71587 1.00 0.00 WATR
+ATOM 1742 HT HOH 445 8.55647 12.2509 0.71587 1.00 0.00 WATR
+ATOM 1743 OT HOH 446 6.85021 9.20189 10.5686 1.00 0.00 WATR
+ATOM 1744 HT HOH 446 7.60716 9.78777 10.5686 1.00 0.00 WATR
+ATOM 1745 HT HOH 446 6.09326 9.78777 10.5686 1.00 0.00 WATR
+ATOM 1746 OT HOH 447 9.31342 11.6651 10.5686 1.00 0.00 WATR
+ATOM 1747 HT HOH 447 10.0703 12.2509 10.5686 1.00 0.00 WATR
+ATOM 1748 HT HOH 447 8.55647 12.2509 10.5686 1.00 0.00 WATR
+ATOM 1749 OT HOH 448 9.31342 9.20189 13.0318 1.00 0.00 WATR
+ATOM 1750 HT HOH 448 10.0703 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1751 HT HOH 448 8.55647 9.78777 13.0318 1.00 0.00 WATR
+ATOM 1752 OT HOH 449 6.85021 11.6651 13.0318 1.00 0.00 WATR
+ATOM 1753 HT HOH 449 7.60716 12.2509 13.0318 1.00 0.00 WATR
+ATOM 1754 HT HOH 449 6.09326 12.2509 13.0318 1.00 0.00 WATR
+ATOM 1755 OT HOH 450 6.85021 9.20189 15.4951 1.00 0.00 WATR
+ATOM 1756 HT HOH 450 7.60716 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1757 HT HOH 450 6.09326 9.78777 15.4951 1.00 0.00 WATR
+ATOM 1758 OT HOH 451 9.31342 11.6651 15.4951 1.00 0.00 WATR
+ATOM 1759 HT HOH 451 10.0703 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1760 HT HOH 451 8.55647 12.2509 15.4951 1.00 0.00 WATR
+ATOM 1761 OT HOH 452 9.31342 9.20189 17.9583 1.00 0.00 WATR
+ATOM 1762 HT HOH 452 10.0703 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1763 HT HOH 452 8.55647 9.78777 17.9583 1.00 0.00 WATR
+ATOM 1764 OT HOH 453 6.85021 11.6651 17.9583 1.00 0.00 WATR
+ATOM 1765 HT HOH 453 7.60716 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1766 HT HOH 453 6.09326 12.2509 17.9583 1.00 0.00 WATR
+ATOM 1767 OT HOH 454 6.85021 9.20189 20.4215 1.00 0.00 WATR
+ATOM 1768 HT HOH 454 7.60716 9.78777 20.4215 1.00 0.00 WATR
+ATOM 1769 HT HOH 454 6.09326 9.78777 20.4215 1.00 0.00 WATR
+ATOM 1770 OT HOH 455 9.31342 11.6651 20.4215 1.00 0.00 WATR
+ATOM 1771 HT HOH 455 10.0703 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1772 HT HOH 455 8.55647 12.2509 20.4215 1.00 0.00 WATR
+ATOM 1773 OT HOH 456 9.31342 9.20189 22.8847 1.00 0.00 WATR
+ATOM 1774 HT HOH 456 10.0703 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1775 HT HOH 456 8.55647 9.78777 22.8847 1.00 0.00 WATR
+ATOM 1776 OT HOH 457 6.85021 11.6651 22.8847 1.00 0.00 WATR
+ATOM 1777 HT HOH 457 7.60716 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1778 HT HOH 457 6.09326 12.2509 22.8847 1.00 0.00 WATR
+ATOM 1779 OT HOH 458 6.85021 9.20189 25.3479 1.00 0.00 WATR
+ATOM 1780 HT HOH 458 7.60716 9.78777 25.3479 1.00 0.00 WATR
+ATOM 1781 HT HOH 458 6.09326 9.78777 25.3479 1.00 0.00 WATR
+ATOM 1782 OT HOH 459 9.31342 11.6651 25.3479 1.00 0.00 WATR
+ATOM 1783 HT HOH 459 10.0703 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1784 HT HOH 459 8.55647 12.2509 25.3479 1.00 0.00 WATR
+ATOM 1785 OT HOH 460 9.31342 9.20189 27.8111 1.00 0.00 WATR
+ATOM 1786 HT HOH 460 10.0703 9.78777 27.8111 1.00 0.00 WATR
+ATOM 1787 HT HOH 460 8.55647 9.78777 27.8111 1.00 0.00 WATR
+ATOM 1788 OT HOH 461 6.85021 11.6651 27.8111 1.00 0.00 WATR
+ATOM 1789 HT HOH 461 7.60716 12.2509 27.8111 1.00 0.00 WATR
+ATOM 1790 HT HOH 461 6.09326 12.2509 27.8111 1.00 0.00 WATR
+ATOM 1791 OT HOH 462 6.85021 9.20189 30.2743 1.00 0.00 WATR
+ATOM 1792 HT HOH 462 7.60716 9.78777 30.2743 1.00 0.00 WATR
+ATOM 1793 HT HOH 462 6.09326 9.78777 30.2743 1.00 0.00 WATR
+ATOM 1794 OT HOH 463 9.31342 11.6651 30.2743 1.00 0.00 WATR
+ATOM 1795 HT HOH 463 10.0703 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1796 HT HOH 463 8.55647 12.2509 30.2743 1.00 0.00 WATR
+ATOM 1797 OT HOH 464 9.31342 9.20189 32.7375 1.00 0.00 WATR
+ATOM 1798 HT HOH 464 10.0703 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1799 HT HOH 464 8.55647 9.78777 32.7375 1.00 0.00 WATR
+ATOM 1800 OT HOH 465 6.85021 11.6651 32.7375 1.00 0.00 WATR
+ATOM 1801 HT HOH 465 7.60716 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1802 HT HOH 465 6.09326 12.2509 32.7375 1.00 0.00 WATR
+ATOM 1803 SOD ION 466 6.85021 14.1283 -4.2105 1.00 0.00 SALT
+ATOM 1804 OT HOH 467 9.31342 16.5915 -4.2105 1.00 0.00 WATR
+ATOM 1805 HT HOH 467 10.0703 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1806 HT HOH 467 8.55647 17.1773 -4.2105 1.00 0.00 WATR
+ATOM 1807 OT HOH 468 9.31342 14.1283 -1.7473 1.00 0.00 WATR
+ATOM 1808 HT HOH 468 10.0703 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 1809 HT HOH 468 8.55647 14.7141 -1.7473 1.00 0.00 WATR
+ATOM 1810 OT HOH 469 6.85021 16.5915 -1.7473 1.00 0.00 WATR
+ATOM 1811 HT HOH 469 7.60716 17.1773 -1.7473 1.00 0.00 WATR
+ATOM 1812 HT HOH 469 6.09326 17.1773 -1.7473 1.00 0.00 WATR
+ATOM 1813 OT HOH 470 6.85021 14.1283 0.71587 1.00 0.00 WATR
+ATOM 1814 HT HOH 470 7.60716 14.7141 0.71587 1.00 0.00 WATR
+ATOM 1815 HT HOH 470 6.09326 14.7141 0.71587 1.00 0.00 WATR
+ATOM 1816 SOD ION 471 9.31342 16.5915 0.71587 1.00 0.00 SALT
+ATOM 1817 OT HOH 472 9.31342 16.5915 5.64228 1.00 0.00 WATR
+ATOM 1818 HT HOH 472 10.0703 17.1773 5.64228 1.00 0.00 WATR
+ATOM 1819 HT HOH 472 8.55647 17.1773 5.64228 1.00 0.00 WATR
+ATOM 1820 OT HOH 473 9.31342 14.1283 8.10548 1.00 0.00 WATR
+ATOM 1821 HT HOH 473 10.0703 14.7141 8.10548 1.00 0.00 WATR
+ATOM 1822 HT HOH 473 8.55647 14.7141 8.10548 1.00 0.00 WATR
+ATOM 1823 OT HOH 474 9.31342 16.5915 10.5686 1.00 0.00 WATR
+ATOM 1824 HT HOH 474 10.0703 17.1773 10.5686 1.00 0.00 WATR
+ATOM 1825 HT HOH 474 8.55647 17.1773 10.5686 1.00 0.00 WATR
+ATOM 1826 SOD ION 475 9.31342 14.1283 13.0318 1.00 0.00 SALT
+ATOM 1827 OT HOH 476 6.85021 16.5915 13.0318 1.00 0.00 WATR
+ATOM 1828 HT HOH 476 7.60716 17.1773 13.0318 1.00 0.00 WATR
+ATOM 1829 HT HOH 476 6.09326 17.1773 13.0318 1.00 0.00 WATR
+ATOM 1830 OT HOH 477 6.85021 14.1283 15.4951 1.00 0.00 WATR
+ATOM 1831 HT HOH 477 7.60716 14.7141 15.4951 1.00 0.00 WATR
+ATOM 1832 HT HOH 477 6.09326 14.7141 15.4951 1.00 0.00 WATR
+ATOM 1833 OT HOH 478 9.31342 16.5915 15.4951 1.00 0.00 WATR
+ATOM 1834 HT HOH 478 10.0703 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1835 HT HOH 478 8.55647 17.1773 15.4951 1.00 0.00 WATR
+ATOM 1836 OT HOH 479 9.31342 14.1283 17.9583 1.00 0.00 WATR
+ATOM 1837 HT HOH 479 10.0703 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1838 HT HOH 479 8.55647 14.7141 17.9583 1.00 0.00 WATR
+ATOM 1839 OT HOH 480 6.85021 16.5915 17.9583 1.00 0.00 WATR
+ATOM 1840 HT HOH 480 7.60716 17.1773 17.9583 1.00 0.00 WATR
+ATOM 1841 HT HOH 480 6.09326 17.1773 17.9583 1.00 0.00 WATR
+ATOM 1842 OT HOH 481 6.85021 14.1283 20.4215 1.00 0.00 WATR
+ATOM 1843 HT HOH 481 7.60716 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1844 HT HOH 481 6.09326 14.7141 20.4215 1.00 0.00 WATR
+ATOM 1845 OT HOH 482 9.31342 16.5915 20.4215 1.00 0.00 WATR
+ATOM 1846 HT HOH 482 10.0703 17.1773 20.4215 1.00 0.00 WATR
+ATOM 1847 HT HOH 482 8.55647 17.1773 20.4215 1.00 0.00 WATR
+ATOM 1848 OT HOH 483 9.31342 14.1283 22.8847 1.00 0.00 WATR
+ATOM 1849 HT HOH 483 10.0703 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1850 HT HOH 483 8.55647 14.7141 22.8847 1.00 0.00 WATR
+ATOM 1851 OT HOH 484 6.85021 16.5915 22.8847 1.00 0.00 WATR
+ATOM 1852 HT HOH 484 7.60716 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1853 HT HOH 484 6.09326 17.1773 22.8847 1.00 0.00 WATR
+ATOM 1854 SOD ION 485 6.85021 14.1283 25.3479 1.00 0.00 SALT
+ATOM 1855 OT HOH 486 9.31342 16.5915 25.3479 1.00 0.00 WATR
+ATOM 1856 HT HOH 486 10.0703 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1857 HT HOH 486 8.55647 17.1773 25.3479 1.00 0.00 WATR
+ATOM 1858 OT HOH 487 9.31342 14.1283 27.8111 1.00 0.00 WATR
+ATOM 1859 HT HOH 487 10.0703 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1860 HT HOH 487 8.55647 14.7141 27.8111 1.00 0.00 WATR
+ATOM 1861 OT HOH 488 6.85021 16.5915 27.8111 1.00 0.00 WATR
+ATOM 1862 HT HOH 488 7.60716 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1863 HT HOH 488 6.09326 17.1773 27.8111 1.00 0.00 WATR
+ATOM 1864 OT HOH 489 6.85021 14.1283 30.2743 1.00 0.00 WATR
+ATOM 1865 HT HOH 489 7.60716 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1866 HT HOH 489 6.09326 14.7141 30.2743 1.00 0.00 WATR
+ATOM 1867 OT HOH 490 9.31342 16.5915 30.2743 1.00 0.00 WATR
+ATOM 1868 HT HOH 490 10.0703 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1869 HT HOH 490 8.55647 17.1773 30.2743 1.00 0.00 WATR
+ATOM 1870 OT HOH 491 9.31342 14.1283 32.7375 1.00 0.00 WATR
+ATOM 1871 HT HOH 491 10.0703 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1872 HT HOH 491 8.55647 14.7141 32.7375 1.00 0.00 WATR
+ATOM 1873 OT HOH 492 6.85021 16.5915 32.7375 1.00 0.00 WATR
+ATOM 1874 HT HOH 492 7.60716 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1875 HT HOH 492 6.09326 17.1773 32.7375 1.00 0.00 WATR
+ATOM 1876 OT HOH 493 6.85021 19.0547 -4.2105 1.00 0.00 WATR
+ATOM 1877 HT HOH 493 7.60716 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1878 HT HOH 493 6.09326 19.6406 -4.2105 1.00 0.00 WATR
+ATOM 1879 OT HOH 494 9.31342 21.5179 -4.2105 1.00 0.00 WATR
+ATOM 1880 HT HOH 494 10.0703 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1881 HT HOH 494 8.55647 22.1038 -4.2105 1.00 0.00 WATR
+ATOM 1882 OT HOH 495 9.31342 19.0547 -1.7473 1.00 0.00 WATR
+ATOM 1883 HT HOH 495 10.0703 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1884 HT HOH 495 8.55647 19.6406 -1.7473 1.00 0.00 WATR
+ATOM 1885 OT HOH 496 6.85021 21.5179 -1.7473 1.00 0.00 WATR
+ATOM 1886 HT HOH 496 7.60716 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1887 HT HOH 496 6.09326 22.1038 -1.7473 1.00 0.00 WATR
+ATOM 1888 OT HOH 497 6.85021 19.0547 0.71587 1.00 0.00 WATR
+ATOM 1889 HT HOH 497 7.60716 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1890 HT HOH 497 6.09326 19.6406 0.71587 1.00 0.00 WATR
+ATOM 1891 OT HOH 498 9.31342 21.5179 0.71587 1.00 0.00 WATR
+ATOM 1892 HT HOH 498 10.0703 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1893 HT HOH 498 8.55647 22.1038 0.71587 1.00 0.00 WATR
+ATOM 1894 OT HOH 499 9.31342 19.0547 3.17907 1.00 0.00 WATR
+ATOM 1895 HT HOH 499 10.0703 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1896 HT HOH 499 8.55647 19.6406 3.17907 1.00 0.00 WATR
+ATOM 1897 OT HOH 500 6.85021 21.5179 3.17907 1.00 0.00 WATR
+ATOM 1898 HT HOH 500 7.60716 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1899 HT HOH 500 6.09326 22.1038 3.17907 1.00 0.00 WATR
+ATOM 1900 OT HOH 501 9.31342 21.5179 5.64228 1.00 0.00 WATR
+ATOM 1901 HT HOH 501 10.0703 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1902 HT HOH 501 8.55647 22.1038 5.64228 1.00 0.00 WATR
+ATOM 1903 OT HOH 502 9.31342 19.0547 8.10548 1.00 0.00 WATR
+ATOM 1904 HT HOH 502 10.0703 19.6406 8.10548 1.00 0.00 WATR
+ATOM 1905 HT HOH 502 8.55647 19.6406 8.10548 1.00 0.00 WATR
+ATOM 1906 OT HOH 503 6.85021 21.5179 8.10548 1.00 0.00 WATR
+ATOM 1907 HT HOH 503 7.60716 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1908 HT HOH 503 6.09326 22.1038 8.10548 1.00 0.00 WATR
+ATOM 1909 OT HOH 504 6.85021 19.0547 10.5686 1.00 0.00 WATR
+ATOM 1910 HT HOH 504 7.60716 19.6406 10.5686 1.00 0.00 WATR
+ATOM 1911 HT HOH 504 6.09326 19.6406 10.5686 1.00 0.00 WATR
+ATOM 1912 OT HOH 505 9.31342 21.5179 10.5686 1.00 0.00 WATR
+ATOM 1913 HT HOH 505 10.0703 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1914 HT HOH 505 8.55647 22.1038 10.5686 1.00 0.00 WATR
+ATOM 1915 OT HOH 506 9.31342 19.0547 13.0318 1.00 0.00 WATR
+ATOM 1916 HT HOH 506 10.0703 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1917 HT HOH 506 8.55647 19.6406 13.0318 1.00 0.00 WATR
+ATOM 1918 OT HOH 507 6.85021 21.5179 13.0318 1.00 0.00 WATR
+ATOM 1919 HT HOH 507 7.60716 22.1038 13.0318 1.00 0.00 WATR
+ATOM 1920 HT HOH 507 6.09326 22.1038 13.0318 1.00 0.00 WATR
+ATOM 1921 OT HOH 508 6.85021 19.0547 15.4951 1.00 0.00 WATR
+ATOM 1922 HT HOH 508 7.60716 19.6406 15.4951 1.00 0.00 WATR
+ATOM 1923 HT HOH 508 6.09326 19.6406 15.4951 1.00 0.00 WATR
+ATOM 1924 OT HOH 509 9.31342 21.5179 15.4951 1.00 0.00 WATR
+ATOM 1925 HT HOH 509 10.0703 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1926 HT HOH 509 8.55647 22.1038 15.4951 1.00 0.00 WATR
+ATOM 1927 OT HOH 510 9.31342 19.0547 17.9583 1.00 0.00 WATR
+ATOM 1928 HT HOH 510 10.0703 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1929 HT HOH 510 8.55647 19.6406 17.9583 1.00 0.00 WATR
+ATOM 1930 OT HOH 511 6.85021 21.5179 17.9583 1.00 0.00 WATR
+ATOM 1931 HT HOH 511 7.60716 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1932 HT HOH 511 6.09326 22.1038 17.9583 1.00 0.00 WATR
+ATOM 1933 OT HOH 512 6.85021 19.0547 20.4215 1.00 0.00 WATR
+ATOM 1934 HT HOH 512 7.60716 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1935 HT HOH 512 6.09326 19.6406 20.4215 1.00 0.00 WATR
+ATOM 1936 OT HOH 513 9.31342 21.5179 20.4215 1.00 0.00 WATR
+ATOM 1937 HT HOH 513 10.0703 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1938 HT HOH 513 8.55647 22.1038 20.4215 1.00 0.00 WATR
+ATOM 1939 OT HOH 514 9.31342 19.0547 22.8847 1.00 0.00 WATR
+ATOM 1940 HT HOH 514 10.0703 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1941 HT HOH 514 8.55647 19.6406 22.8847 1.00 0.00 WATR
+ATOM 1942 OT HOH 515 6.85021 21.5179 22.8847 1.00 0.00 WATR
+ATOM 1943 HT HOH 515 7.60716 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1944 HT HOH 515 6.09326 22.1038 22.8847 1.00 0.00 WATR
+ATOM 1945 OT HOH 516 6.85021 19.0547 25.3479 1.00 0.00 WATR
+ATOM 1946 HT HOH 516 7.60716 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1947 HT HOH 516 6.09326 19.6406 25.3479 1.00 0.00 WATR
+ATOM 1948 OT HOH 517 9.31342 21.5179 25.3479 1.00 0.00 WATR
+ATOM 1949 HT HOH 517 10.0703 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1950 HT HOH 517 8.55647 22.1038 25.3479 1.00 0.00 WATR
+ATOM 1951 OT HOH 518 9.31342 19.0547 27.8111 1.00 0.00 WATR
+ATOM 1952 HT HOH 518 10.0703 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1953 HT HOH 518 8.55647 19.6406 27.8111 1.00 0.00 WATR
+ATOM 1954 OT HOH 519 6.85021 21.5179 27.8111 1.00 0.00 WATR
+ATOM 1955 HT HOH 519 7.60716 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1956 HT HOH 519 6.09326 22.1038 27.8111 1.00 0.00 WATR
+ATOM 1957 OT HOH 520 6.85021 19.0547 30.2743 1.00 0.00 WATR
+ATOM 1958 HT HOH 520 7.60716 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1959 HT HOH 520 6.09326 19.6406 30.2743 1.00 0.00 WATR
+ATOM 1960 OT HOH 521 9.31342 21.5179 30.2743 1.00 0.00 WATR
+ATOM 1961 HT HOH 521 10.0703 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1962 HT HOH 521 8.55647 22.1038 30.2743 1.00 0.00 WATR
+ATOM 1963 OT HOH 522 9.31342 19.0547 32.7375 1.00 0.00 WATR
+ATOM 1964 HT HOH 522 10.0703 19.6406 32.7375 1.00 0.00 WATR
+ATOM 1965 HT HOH 522 8.55647 19.6406 32.7375 1.00 0.00 WATR
ATOM 1966 OT HOH 523 6.85021 21.5179 32.7375 1.00 0.00 WATR
ATOM 1967 HT HOH 523 7.60716 22.1038 32.7375 1.00 0.00 WATR
ATOM 1968 HT HOH 523 6.09326 22.1038 32.7375 1.00 0.00 WATR
diff --git a/tools/ch2lmp/example/1ac7_ctrl.psf b/tools/ch2lmp/example/1ac7_ctrl.psf
index 6eb45343417c8eab628e09f2565c93f264764352..1e1cd5a9e927bf47e74dd6a348f93d90bc10ce8c 100644
--- a/tools/ch2lmp/example/1ac7_ctrl.psf
+++ b/tools/ch2lmp/example/1ac7_ctrl.psf
@@ -2,7 +2,7 @@ PSF
2 !NTITLE
REMARKS CONTROL PSF 1ac7_ctrl.psf
- REMARKS CREATED BY charmm2lammps v1.6.2 ON Fri Jun 3 14:07:00 MDT 2005
+ REMARKS CREATED BY charmm2lammps v1.9.0 ON Mon Oct 3 06:55:39 EDT 2016
1968 !NATOM
1 A 1 ADE P 82 1.50000000e+00 30.9740 0
@@ -538,212 +538,212 @@ PSF
531 WATR 2 HOH OT 70 -8.34000000e-01 15.9994 0
532 WATR 2 HOH HT 1 4.17000000e-01 1.00800 0
533 WATR 2 HOH HT 1 4.17000000e-01 1.00800 0
- 534 SALT 1 ION SOD 90 1.00000000e+00 22.9897 0
- 535 WATR 3 HOH OT 70 -8.34000000e-01 15.9994 0
+ 534 WATR 3 HOH OT 70 -8.34000000e-01 15.9994 0
+ 535 WATR 3 HOH HT 1 4.17000000e-01 1.00800 0
536 WATR 3 HOH HT 1 4.17000000e-01 1.00800 0
- 537 WATR 3 HOH HT 1 4.17000000e-01 1.00800 0
- 538 WATR 4 HOH OT 70 -8.34000000e-01 15.9994 0
+ 537 WATR 4 HOH OT 70 -8.34000000e-01 15.9994 0
+ 538 WATR 4 HOH HT 1 4.17000000e-01 1.00800 0
539 WATR 4 HOH HT 1 4.17000000e-01 1.00800 0
- 540 WATR 4 HOH HT 1 4.17000000e-01 1.00800 0
- 541 SALT 2 ION SOD 90 1.00000000e+00 22.9897 0
- 542 WATR 5 HOH OT 70 -8.34000000e-01 15.9994 0
- 543 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0
- 544 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0
- 545 WATR 6 HOH OT 70 -8.34000000e-01 15.9994 0
- 546 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0
- 547 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0
- 548 WATR 7 HOH OT 70 -8.34000000e-01 15.9994 0
- 549 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0
- 550 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0
- 551 WATR 8 HOH OT 70 -8.34000000e-01 15.9994 0
- 552 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0
- 553 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0
- 554 WATR 9 HOH OT 70 -8.34000000e-01 15.9994 0
- 555 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0
- 556 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0
- 557 WATR 10 HOH OT 70 -8.34000000e-01 15.9994 0
- 558 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0
- 559 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0
- 560 WATR 11 HOH OT 70 -8.34000000e-01 15.9994 0
- 561 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0
- 562 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0
- 563 WATR 12 HOH OT 70 -8.34000000e-01 15.9994 0
- 564 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0
- 565 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0
- 566 WATR 13 HOH OT 70 -8.34000000e-01 15.9994 0
- 567 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0
- 568 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0
- 569 WATR 14 HOH OT 70 -8.34000000e-01 15.9994 0
- 570 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0
- 571 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0
- 572 WATR 15 HOH OT 70 -8.34000000e-01 15.9994 0
- 573 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0
- 574 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0
- 575 WATR 16 HOH OT 70 -8.34000000e-01 15.9994 0
+ 540 WATR 5 HOH OT 70 -8.34000000e-01 15.9994 0
+ 541 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0
+ 542 WATR 5 HOH HT 1 4.17000000e-01 1.00800 0
+ 543 WATR 6 HOH OT 70 -8.34000000e-01 15.9994 0
+ 544 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0
+ 545 WATR 6 HOH HT 1 4.17000000e-01 1.00800 0
+ 546 WATR 7 HOH OT 70 -8.34000000e-01 15.9994 0
+ 547 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0
+ 548 WATR 7 HOH HT 1 4.17000000e-01 1.00800 0
+ 549 WATR 8 HOH OT 70 -8.34000000e-01 15.9994 0
+ 550 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0
+ 551 WATR 8 HOH HT 1 4.17000000e-01 1.00800 0
+ 552 WATR 9 HOH OT 70 -8.34000000e-01 15.9994 0
+ 553 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0
+ 554 WATR 9 HOH HT 1 4.17000000e-01 1.00800 0
+ 555 WATR 10 HOH OT 70 -8.34000000e-01 15.9994 0
+ 556 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0
+ 557 WATR 10 HOH HT 1 4.17000000e-01 1.00800 0
+ 558 WATR 11 HOH OT 70 -8.34000000e-01 15.9994 0
+ 559 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0
+ 560 WATR 11 HOH HT 1 4.17000000e-01 1.00800 0
+ 561 WATR 12 HOH OT 70 -8.34000000e-01 15.9994 0
+ 562 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0
+ 563 WATR 12 HOH HT 1 4.17000000e-01 1.00800 0
+ 564 WATR 13 HOH OT 70 -8.34000000e-01 15.9994 0
+ 565 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0
+ 566 WATR 13 HOH HT 1 4.17000000e-01 1.00800 0
+ 567 WATR 14 HOH OT 70 -8.34000000e-01 15.9994 0
+ 568 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0
+ 569 WATR 14 HOH HT 1 4.17000000e-01 1.00800 0
+ 570 WATR 15 HOH OT 70 -8.34000000e-01 15.9994 0
+ 571 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0
+ 572 WATR 15 HOH HT 1 4.17000000e-01 1.00800 0
+ 573 SALT 1 ION SOD 90 1.00000000e+00 22.9897 0
+ 574 WATR 16 HOH OT 70 -8.34000000e-01 15.9994 0
+ 575 WATR 16 HOH HT 1 4.17000000e-01 1.00800 0
576 WATR 16 HOH HT 1 4.17000000e-01 1.00800 0
- 577 WATR 16 HOH HT 1 4.17000000e-01 1.00800 0
- 578 WATR 17 HOH OT 70 -8.34000000e-01 15.9994 0
+ 577 WATR 17 HOH OT 70 -8.34000000e-01 15.9994 0
+ 578 WATR 17 HOH HT 1 4.17000000e-01 1.00800 0
579 WATR 17 HOH HT 1 4.17000000e-01 1.00800 0
- 580 WATR 17 HOH HT 1 4.17000000e-01 1.00800 0
- 581 WATR 18 HOH OT 70 -8.34000000e-01 15.9994 0
+ 580 WATR 18 HOH OT 70 -8.34000000e-01 15.9994 0
+ 581 WATR 18 HOH HT 1 4.17000000e-01 1.00800 0
582 WATR 18 HOH HT 1 4.17000000e-01 1.00800 0
- 583 WATR 18 HOH HT 1 4.17000000e-01 1.00800 0
- 584 WATR 19 HOH OT 70 -8.34000000e-01 15.9994 0
+ 583 WATR 19 HOH OT 70 -8.34000000e-01 15.9994 0
+ 584 WATR 19 HOH HT 1 4.17000000e-01 1.00800 0
585 WATR 19 HOH HT 1 4.17000000e-01 1.00800 0
- 586 WATR 19 HOH HT 1 4.17000000e-01 1.00800 0
- 587 WATR 20 HOH OT 70 -8.34000000e-01 15.9994 0
+ 586 WATR 20 HOH OT 70 -8.34000000e-01 15.9994 0
+ 587 WATR 20 HOH HT 1 4.17000000e-01 1.00800 0
588 WATR 20 HOH HT 1 4.17000000e-01 1.00800 0
- 589 WATR 20 HOH HT 1 4.17000000e-01 1.00800 0
- 590 WATR 21 HOH OT 70 -8.34000000e-01 15.9994 0
+ 589 WATR 21 HOH OT 70 -8.34000000e-01 15.9994 0
+ 590 WATR 21 HOH HT 1 4.17000000e-01 1.00800 0
591 WATR 21 HOH HT 1 4.17000000e-01 1.00800 0
- 592 WATR 21 HOH HT 1 4.17000000e-01 1.00800 0
- 593 WATR 22 HOH OT 70 -8.34000000e-01 15.9994 0
+ 592 WATR 22 HOH OT 70 -8.34000000e-01 15.9994 0
+ 593 WATR 22 HOH HT 1 4.17000000e-01 1.00800 0
594 WATR 22 HOH HT 1 4.17000000e-01 1.00800 0
- 595 WATR 22 HOH HT 1 4.17000000e-01 1.00800 0
- 596 WATR 23 HOH OT 70 -8.34000000e-01 15.9994 0
+ 595 WATR 23 HOH OT 70 -8.34000000e-01 15.9994 0
+ 596 WATR 23 HOH HT 1 4.17000000e-01 1.00800 0
597 WATR 23 HOH HT 1 4.17000000e-01 1.00800 0
- 598 WATR 23 HOH HT 1 4.17000000e-01 1.00800 0
- 599 WATR 24 HOH OT 70 -8.34000000e-01 15.9994 0
+ 598 WATR 24 HOH OT 70 -8.34000000e-01 15.9994 0
+ 599 WATR 24 HOH HT 1 4.17000000e-01 1.00800 0
600 WATR 24 HOH HT 1 4.17000000e-01 1.00800 0
- 601 WATR 24 HOH HT 1 4.17000000e-01 1.00800 0
- 602 WATR 25 HOH OT 70 -8.34000000e-01 15.9994 0
+ 601 WATR 25 HOH OT 70 -8.34000000e-01 15.9994 0
+ 602 WATR 25 HOH HT 1 4.17000000e-01 1.00800 0
603 WATR 25 HOH HT 1 4.17000000e-01 1.00800 0
- 604 WATR 25 HOH HT 1 4.17000000e-01 1.00800 0
- 605 WATR 26 HOH OT 70 -8.34000000e-01 15.9994 0
+ 604 WATR 26 HOH OT 70 -8.34000000e-01 15.9994 0
+ 605 WATR 26 HOH HT 1 4.17000000e-01 1.00800 0
606 WATR 26 HOH HT 1 4.17000000e-01 1.00800 0
- 607 WATR 26 HOH HT 1 4.17000000e-01 1.00800 0
- 608 WATR 27 HOH OT 70 -8.34000000e-01 15.9994 0
+ 607 WATR 27 HOH OT 70 -8.34000000e-01 15.9994 0
+ 608 WATR 27 HOH HT 1 4.17000000e-01 1.00800 0
609 WATR 27 HOH HT 1 4.17000000e-01 1.00800 0
- 610 WATR 27 HOH HT 1 4.17000000e-01 1.00800 0
- 611 WATR 28 HOH OT 70 -8.34000000e-01 15.9994 0
+ 610 WATR 28 HOH OT 70 -8.34000000e-01 15.9994 0
+ 611 WATR 28 HOH HT 1 4.17000000e-01 1.00800 0
612 WATR 28 HOH HT 1 4.17000000e-01 1.00800 0
- 613 WATR 28 HOH HT 1 4.17000000e-01 1.00800 0
- 614 WATR 29 HOH OT 70 -8.34000000e-01 15.9994 0
+ 613 WATR 29 HOH OT 70 -8.34000000e-01 15.9994 0
+ 614 WATR 29 HOH HT 1 4.17000000e-01 1.00800 0
615 WATR 29 HOH HT 1 4.17000000e-01 1.00800 0
- 616 WATR 29 HOH HT 1 4.17000000e-01 1.00800 0
- 617 WATR 30 HOH OT 70 -8.34000000e-01 15.9994 0
+ 616 WATR 30 HOH OT 70 -8.34000000e-01 15.9994 0
+ 617 WATR 30 HOH HT 1 4.17000000e-01 1.00800 0
618 WATR 30 HOH HT 1 4.17000000e-01 1.00800 0
- 619 WATR 30 HOH HT 1 4.17000000e-01 1.00800 0
- 620 WATR 31 HOH OT 70 -8.34000000e-01 15.9994 0
+ 619 WATR 31 HOH OT 70 -8.34000000e-01 15.9994 0
+ 620 WATR 31 HOH HT 1 4.17000000e-01 1.00800 0
621 WATR 31 HOH HT 1 4.17000000e-01 1.00800 0
- 622 WATR 31 HOH HT 1 4.17000000e-01 1.00800 0
- 623 WATR 32 HOH OT 70 -8.34000000e-01 15.9994 0
+ 622 WATR 32 HOH OT 70 -8.34000000e-01 15.9994 0
+ 623 WATR 32 HOH HT 1 4.17000000e-01 1.00800 0
624 WATR 32 HOH HT 1 4.17000000e-01 1.00800 0
- 625 WATR 32 HOH HT 1 4.17000000e-01 1.00800 0
- 626 WATR 33 HOH OT 70 -8.34000000e-01 15.9994 0
+ 625 WATR 33 HOH OT 70 -8.34000000e-01 15.9994 0
+ 626 WATR 33 HOH HT 1 4.17000000e-01 1.00800 0
627 WATR 33 HOH HT 1 4.17000000e-01 1.00800 0
- 628 WATR 33 HOH HT 1 4.17000000e-01 1.00800 0
- 629 WATR 34 HOH OT 70 -8.34000000e-01 15.9994 0
+ 628 WATR 34 HOH OT 70 -8.34000000e-01 15.9994 0
+ 629 WATR 34 HOH HT 1 4.17000000e-01 1.00800 0
630 WATR 34 HOH HT 1 4.17000000e-01 1.00800 0
- 631 WATR 34 HOH HT 1 4.17000000e-01 1.00800 0
- 632 WATR 35 HOH OT 70 -8.34000000e-01 15.9994 0
+ 631 WATR 35 HOH OT 70 -8.34000000e-01 15.9994 0
+ 632 WATR 35 HOH HT 1 4.17000000e-01 1.00800 0
633 WATR 35 HOH HT 1 4.17000000e-01 1.00800 0
- 634 WATR 35 HOH HT 1 4.17000000e-01 1.00800 0
- 635 WATR 36 HOH OT 70 -8.34000000e-01 15.9994 0
+ 634 WATR 36 HOH OT 70 -8.34000000e-01 15.9994 0
+ 635 WATR 36 HOH HT 1 4.17000000e-01 1.00800 0
636 WATR 36 HOH HT 1 4.17000000e-01 1.00800 0
- 637 WATR 36 HOH HT 1 4.17000000e-01 1.00800 0
- 638 WATR 37 HOH OT 70 -8.34000000e-01 15.9994 0
+ 637 WATR 37 HOH OT 70 -8.34000000e-01 15.9994 0
+ 638 WATR 37 HOH HT 1 4.17000000e-01 1.00800 0
639 WATR 37 HOH HT 1 4.17000000e-01 1.00800 0
- 640 WATR 37 HOH HT 1 4.17000000e-01 1.00800 0
- 641 WATR 38 HOH OT 70 -8.34000000e-01 15.9994 0
+ 640 WATR 38 HOH OT 70 -8.34000000e-01 15.9994 0
+ 641 WATR 38 HOH HT 1 4.17000000e-01 1.00800 0
642 WATR 38 HOH HT 1 4.17000000e-01 1.00800 0
- 643 WATR 38 HOH HT 1 4.17000000e-01 1.00800 0
- 644 WATR 39 HOH OT 70 -8.34000000e-01 15.9994 0
+ 643 WATR 39 HOH OT 70 -8.34000000e-01 15.9994 0
+ 644 WATR 39 HOH HT 1 4.17000000e-01 1.00800 0
645 WATR 39 HOH HT 1 4.17000000e-01 1.00800 0
- 646 WATR 39 HOH HT 1 4.17000000e-01 1.00800 0
- 647 WATR 40 HOH OT 70 -8.34000000e-01 15.9994 0
+ 646 WATR 40 HOH OT 70 -8.34000000e-01 15.9994 0
+ 647 WATR 40 HOH HT 1 4.17000000e-01 1.00800 0
648 WATR 40 HOH HT 1 4.17000000e-01 1.00800 0
- 649 WATR 40 HOH HT 1 4.17000000e-01 1.00800 0
- 650 WATR 41 HOH OT 70 -8.34000000e-01 15.9994 0
+ 649 WATR 41 HOH OT 70 -8.34000000e-01 15.9994 0
+ 650 WATR 41 HOH HT 1 4.17000000e-01 1.00800 0
651 WATR 41 HOH HT 1 4.17000000e-01 1.00800 0
- 652 WATR 41 HOH HT 1 4.17000000e-01 1.00800 0
- 653 WATR 42 HOH OT 70 -8.34000000e-01 15.9994 0
+ 652 WATR 42 HOH OT 70 -8.34000000e-01 15.9994 0
+ 653 WATR 42 HOH HT 1 4.17000000e-01 1.00800 0
654 WATR 42 HOH HT 1 4.17000000e-01 1.00800 0
- 655 WATR 42 HOH HT 1 4.17000000e-01 1.00800 0
- 656 WATR 43 HOH OT 70 -8.34000000e-01 15.9994 0
+ 655 WATR 43 HOH OT 70 -8.34000000e-01 15.9994 0
+ 656 WATR 43 HOH HT 1 4.17000000e-01 1.00800 0
657 WATR 43 HOH HT 1 4.17000000e-01 1.00800 0
- 658 WATR 43 HOH HT 1 4.17000000e-01 1.00800 0
- 659 WATR 44 HOH OT 70 -8.34000000e-01 15.9994 0
+ 658 WATR 44 HOH OT 70 -8.34000000e-01 15.9994 0
+ 659 WATR 44 HOH HT 1 4.17000000e-01 1.00800 0
660 WATR 44 HOH HT 1 4.17000000e-01 1.00800 0
- 661 WATR 44 HOH HT 1 4.17000000e-01 1.00800 0
- 662 WATR 45 HOH OT 70 -8.34000000e-01 15.9994 0
+ 661 WATR 45 HOH OT 70 -8.34000000e-01 15.9994 0
+ 662 WATR 45 HOH HT 1 4.17000000e-01 1.00800 0
663 WATR 45 HOH HT 1 4.17000000e-01 1.00800 0
- 664 WATR 45 HOH HT 1 4.17000000e-01 1.00800 0
- 665 WATR 46 HOH OT 70 -8.34000000e-01 15.9994 0
+ 664 WATR 46 HOH OT 70 -8.34000000e-01 15.9994 0
+ 665 WATR 46 HOH HT 1 4.17000000e-01 1.00800 0
666 WATR 46 HOH HT 1 4.17000000e-01 1.00800 0
- 667 WATR 46 HOH HT 1 4.17000000e-01 1.00800 0
- 668 WATR 47 HOH OT 70 -8.34000000e-01 15.9994 0
+ 667 WATR 47 HOH OT 70 -8.34000000e-01 15.9994 0
+ 668 WATR 47 HOH HT 1 4.17000000e-01 1.00800 0
669 WATR 47 HOH HT 1 4.17000000e-01 1.00800 0
- 670 WATR 47 HOH HT 1 4.17000000e-01 1.00800 0
- 671 WATR 48 HOH OT 70 -8.34000000e-01 15.9994 0
+ 670 WATR 48 HOH OT 70 -8.34000000e-01 15.9994 0
+ 671 WATR 48 HOH HT 1 4.17000000e-01 1.00800 0
672 WATR 48 HOH HT 1 4.17000000e-01 1.00800 0
- 673 WATR 48 HOH HT 1 4.17000000e-01 1.00800 0
- 674 WATR 49 HOH OT 70 -8.34000000e-01 15.9994 0
+ 673 WATR 49 HOH OT 70 -8.34000000e-01 15.9994 0
+ 674 WATR 49 HOH HT 1 4.17000000e-01 1.00800 0
675 WATR 49 HOH HT 1 4.17000000e-01 1.00800 0
- 676 WATR 49 HOH HT 1 4.17000000e-01 1.00800 0
- 677 WATR 50 HOH OT 70 -8.34000000e-01 15.9994 0
+ 676 WATR 50 HOH OT 70 -8.34000000e-01 15.9994 0
+ 677 WATR 50 HOH HT 1 4.17000000e-01 1.00800 0
678 WATR 50 HOH HT 1 4.17000000e-01 1.00800 0
- 679 WATR 50 HOH HT 1 4.17000000e-01 1.00800 0
- 680 WATR 51 HOH OT 70 -8.34000000e-01 15.9994 0
+ 679 WATR 51 HOH OT 70 -8.34000000e-01 15.9994 0
+ 680 WATR 51 HOH HT 1 4.17000000e-01 1.00800 0
681 WATR 51 HOH HT 1 4.17000000e-01 1.00800 0
- 682 WATR 51 HOH HT 1 4.17000000e-01 1.00800 0
- 683 WATR 52 HOH OT 70 -8.34000000e-01 15.9994 0
+ 682 WATR 52 HOH OT 70 -8.34000000e-01 15.9994 0
+ 683 WATR 52 HOH HT 1 4.17000000e-01 1.00800 0
684 WATR 52 HOH HT 1 4.17000000e-01 1.00800 0
- 685 WATR 52 HOH HT 1 4.17000000e-01 1.00800 0
- 686 WATR 53 HOH OT 70 -8.34000000e-01 15.9994 0
+ 685 WATR 53 HOH OT 70 -8.34000000e-01 15.9994 0
+ 686 WATR 53 HOH HT 1 4.17000000e-01 1.00800 0
687 WATR 53 HOH HT 1 4.17000000e-01 1.00800 0
- 688 WATR 53 HOH HT 1 4.17000000e-01 1.00800 0
- 689 WATR 54 HOH OT 70 -8.34000000e-01 15.9994 0
+ 688 WATR 54 HOH OT 70 -8.34000000e-01 15.9994 0
+ 689 WATR 54 HOH HT 1 4.17000000e-01 1.00800 0
690 WATR 54 HOH HT 1 4.17000000e-01 1.00800 0
- 691 WATR 54 HOH HT 1 4.17000000e-01 1.00800 0
- 692 WATR 55 HOH OT 70 -8.34000000e-01 15.9994 0
+ 691 WATR 55 HOH OT 70 -8.34000000e-01 15.9994 0
+ 692 WATR 55 HOH HT 1 4.17000000e-01 1.00800 0
693 WATR 55 HOH HT 1 4.17000000e-01 1.00800 0
- 694 WATR 55 HOH HT 1 4.17000000e-01 1.00800 0
- 695 WATR 56 HOH OT 70 -8.34000000e-01 15.9994 0
+ 694 WATR 56 HOH OT 70 -8.34000000e-01 15.9994 0
+ 695 WATR 56 HOH HT 1 4.17000000e-01 1.00800 0
696 WATR 56 HOH HT 1 4.17000000e-01 1.00800 0
- 697 WATR 56 HOH HT 1 4.17000000e-01 1.00800 0
- 698 WATR 57 HOH OT 70 -8.34000000e-01 15.9994 0
+ 697 WATR 57 HOH OT 70 -8.34000000e-01 15.9994 0
+ 698 WATR 57 HOH HT 1 4.17000000e-01 1.00800 0
699 WATR 57 HOH HT 1 4.17000000e-01 1.00800 0
- 700 WATR 57 HOH HT 1 4.17000000e-01 1.00800 0
- 701 WATR 58 HOH OT 70 -8.34000000e-01 15.9994 0
+ 700 WATR 58 HOH OT 70 -8.34000000e-01 15.9994 0
+ 701 WATR 58 HOH HT 1 4.17000000e-01 1.00800 0
702 WATR 58 HOH HT 1 4.17000000e-01 1.00800 0
- 703 WATR 58 HOH HT 1 4.17000000e-01 1.00800 0
- 704 WATR 59 HOH OT 70 -8.34000000e-01 15.9994 0
+ 703 WATR 59 HOH OT 70 -8.34000000e-01 15.9994 0
+ 704 WATR 59 HOH HT 1 4.17000000e-01 1.00800 0
705 WATR 59 HOH HT 1 4.17000000e-01 1.00800 0
- 706 WATR 59 HOH HT 1 4.17000000e-01 1.00800 0
- 707 WATR 60 HOH OT 70 -8.34000000e-01 15.9994 0
+ 706 WATR 60 HOH OT 70 -8.34000000e-01 15.9994 0
+ 707 WATR 60 HOH HT 1 4.17000000e-01 1.00800 0
708 WATR 60 HOH HT 1 4.17000000e-01 1.00800 0
- 709 WATR 60 HOH HT 1 4.17000000e-01 1.00800 0
- 710 WATR 61 HOH OT 70 -8.34000000e-01 15.9994 0
+ 709 WATR 61 HOH OT 70 -8.34000000e-01 15.9994 0
+ 710 WATR 61 HOH HT 1 4.17000000e-01 1.00800 0
711 WATR 61 HOH HT 1 4.17000000e-01 1.00800 0
- 712 WATR 61 HOH HT 1 4.17000000e-01 1.00800 0
- 713 WATR 62 HOH OT 70 -8.34000000e-01 15.9994 0
+ 712 WATR 62 HOH OT 70 -8.34000000e-01 15.9994 0
+ 713 WATR 62 HOH HT 1 4.17000000e-01 1.00800 0
714 WATR 62 HOH HT 1 4.17000000e-01 1.00800 0
- 715 WATR 62 HOH HT 1 4.17000000e-01 1.00800 0
- 716 WATR 63 HOH OT 70 -8.34000000e-01 15.9994 0
+ 715 WATR 63 HOH OT 70 -8.34000000e-01 15.9994 0
+ 716 WATR 63 HOH HT 1 4.17000000e-01 1.00800 0
717 WATR 63 HOH HT 1 4.17000000e-01 1.00800 0
- 718 WATR 63 HOH HT 1 4.17000000e-01 1.00800 0
- 719 WATR 64 HOH OT 70 -8.34000000e-01 15.9994 0
+ 718 WATR 64 HOH OT 70 -8.34000000e-01 15.9994 0
+ 719 WATR 64 HOH HT 1 4.17000000e-01 1.00800 0
720 WATR 64 HOH HT 1 4.17000000e-01 1.00800 0
- 721 WATR 64 HOH HT 1 4.17000000e-01 1.00800 0
- 722 WATR 65 HOH OT 70 -8.34000000e-01 15.9994 0
+ 721 WATR 65 HOH OT 70 -8.34000000e-01 15.9994 0
+ 722 WATR 65 HOH HT 1 4.17000000e-01 1.00800 0
723 WATR 65 HOH HT 1 4.17000000e-01 1.00800 0
- 724 WATR 65 HOH HT 1 4.17000000e-01 1.00800 0
- 725 WATR 66 HOH OT 70 -8.34000000e-01 15.9994 0
+ 724 WATR 66 HOH OT 70 -8.34000000e-01 15.9994 0
+ 725 WATR 66 HOH HT 1 4.17000000e-01 1.00800 0
726 WATR 66 HOH HT 1 4.17000000e-01 1.00800 0
- 727 WATR 66 HOH HT 1 4.17000000e-01 1.00800 0
- 728 WATR 67 HOH OT 70 -8.34000000e-01 15.9994 0
+ 727 WATR 67 HOH OT 70 -8.34000000e-01 15.9994 0
+ 728 WATR 67 HOH HT 1 4.17000000e-01 1.00800 0
729 WATR 67 HOH HT 1 4.17000000e-01 1.00800 0
- 730 WATR 67 HOH HT 1 4.17000000e-01 1.00800 0
- 731 WATR 68 HOH OT 70 -8.34000000e-01 15.9994 0
+ 730 WATR 68 HOH OT 70 -8.34000000e-01 15.9994 0
+ 731 WATR 68 HOH HT 1 4.17000000e-01 1.00800 0
732 WATR 68 HOH HT 1 4.17000000e-01 1.00800 0
- 733 WATR 68 HOH HT 1 4.17000000e-01 1.00800 0
- 734 WATR 69 HOH OT 70 -8.34000000e-01 15.9994 0
+ 733 WATR 69 HOH OT 70 -8.34000000e-01 15.9994 0
+ 734 WATR 69 HOH HT 1 4.17000000e-01 1.00800 0
735 WATR 69 HOH HT 1 4.17000000e-01 1.00800 0
- 736 WATR 69 HOH HT 1 4.17000000e-01 1.00800 0
- 737 WATR 70 HOH OT 70 -8.34000000e-01 15.9994 0
+ 736 WATR 70 HOH OT 70 -8.34000000e-01 15.9994 0
+ 737 WATR 70 HOH HT 1 4.17000000e-01 1.00800 0
738 WATR 70 HOH HT 1 4.17000000e-01 1.00800 0
- 739 WATR 70 HOH HT 1 4.17000000e-01 1.00800 0
+ 739 SALT 2 ION SOD 90 1.00000000e+00 22.9897 0
740 WATR 71 HOH OT 70 -8.34000000e-01 15.9994 0
741 WATR 71 HOH HT 1 4.17000000e-01 1.00800 0
742 WATR 71 HOH HT 1 4.17000000e-01 1.00800 0
@@ -789,46 +789,46 @@ PSF
782 WATR 85 HOH OT 70 -8.34000000e-01 15.9994 0
783 WATR 85 HOH HT 1 4.17000000e-01 1.00800 0
784 WATR 85 HOH HT 1 4.17000000e-01 1.00800 0
- 785 WATR 86 HOH OT 70 -8.34000000e-01 15.9994 0
- 786 WATR 86 HOH HT 1 4.17000000e-01 1.00800 0
+ 785 SALT 3 ION SOD 90 1.00000000e+00 22.9897 0
+ 786 WATR 86 HOH OT 70 -8.34000000e-01 15.9994 0
787 WATR 86 HOH HT 1 4.17000000e-01 1.00800 0
- 788 WATR 87 HOH OT 70 -8.34000000e-01 15.9994 0
- 789 WATR 87 HOH HT 1 4.17000000e-01 1.00800 0
+ 788 WATR 86 HOH HT 1 4.17000000e-01 1.00800 0
+ 789 WATR 87 HOH OT 70 -8.34000000e-01 15.9994 0
790 WATR 87 HOH HT 1 4.17000000e-01 1.00800 0
- 791 WATR 88 HOH OT 70 -8.34000000e-01 15.9994 0
- 792 WATR 88 HOH HT 1 4.17000000e-01 1.00800 0
+ 791 WATR 87 HOH HT 1 4.17000000e-01 1.00800 0
+ 792 WATR 88 HOH OT 70 -8.34000000e-01 15.9994 0
793 WATR 88 HOH HT 1 4.17000000e-01 1.00800 0
- 794 WATR 89 HOH OT 70 -8.34000000e-01 15.9994 0
- 795 WATR 89 HOH HT 1 4.17000000e-01 1.00800 0
+ 794 WATR 88 HOH HT 1 4.17000000e-01 1.00800 0
+ 795 WATR 89 HOH OT 70 -8.34000000e-01 15.9994 0
796 WATR 89 HOH HT 1 4.17000000e-01 1.00800 0
- 797 WATR 90 HOH OT 70 -8.34000000e-01 15.9994 0
- 798 WATR 90 HOH HT 1 4.17000000e-01 1.00800 0
+ 797 WATR 89 HOH HT 1 4.17000000e-01 1.00800 0
+ 798 WATR 90 HOH OT 70 -8.34000000e-01 15.9994 0
799 WATR 90 HOH HT 1 4.17000000e-01 1.00800 0
- 800 WATR 91 HOH OT 70 -8.34000000e-01 15.9994 0
- 801 WATR 91 HOH HT 1 4.17000000e-01 1.00800 0
+ 800 WATR 90 HOH HT 1 4.17000000e-01 1.00800 0
+ 801 WATR 91 HOH OT 70 -8.34000000e-01 15.9994 0
802 WATR 91 HOH HT 1 4.17000000e-01 1.00800 0
- 803 WATR 92 HOH OT 70 -8.34000000e-01 15.9994 0
- 804 WATR 92 HOH HT 1 4.17000000e-01 1.00800 0
+ 803 WATR 91 HOH HT 1 4.17000000e-01 1.00800 0
+ 804 WATR 92 HOH OT 70 -8.34000000e-01 15.9994 0
805 WATR 92 HOH HT 1 4.17000000e-01 1.00800 0
- 806 WATR 93 HOH OT 70 -8.34000000e-01 15.9994 0
- 807 WATR 93 HOH HT 1 4.17000000e-01 1.00800 0
+ 806 WATR 92 HOH HT 1 4.17000000e-01 1.00800 0
+ 807 WATR 93 HOH OT 70 -8.34000000e-01 15.9994 0
808 WATR 93 HOH HT 1 4.17000000e-01 1.00800 0
- 809 WATR 94 HOH OT 70 -8.34000000e-01 15.9994 0
- 810 WATR 94 HOH HT 1 4.17000000e-01 1.00800 0
+ 809 WATR 93 HOH HT 1 4.17000000e-01 1.00800 0
+ 810 WATR 94 HOH OT 70 -8.34000000e-01 15.9994 0
811 WATR 94 HOH HT 1 4.17000000e-01 1.00800 0
- 812 WATR 95 HOH OT 70 -8.34000000e-01 15.9994 0
- 813 WATR 95 HOH HT 1 4.17000000e-01 1.00800 0
+ 812 WATR 94 HOH HT 1 4.17000000e-01 1.00800 0
+ 813 WATR 95 HOH OT 70 -8.34000000e-01 15.9994 0
814 WATR 95 HOH HT 1 4.17000000e-01 1.00800 0
- 815 WATR 96 HOH OT 70 -8.34000000e-01 15.9994 0
- 816 WATR 96 HOH HT 1 4.17000000e-01 1.00800 0
+ 815 WATR 95 HOH HT 1 4.17000000e-01 1.00800 0
+ 816 WATR 96 HOH OT 70 -8.34000000e-01 15.9994 0
817 WATR 96 HOH HT 1 4.17000000e-01 1.00800 0
- 818 WATR 97 HOH OT 70 -8.34000000e-01 15.9994 0
- 819 WATR 97 HOH HT 1 4.17000000e-01 1.00800 0
+ 818 WATR 96 HOH HT 1 4.17000000e-01 1.00800 0
+ 819 WATR 97 HOH OT 70 -8.34000000e-01 15.9994 0
820 WATR 97 HOH HT 1 4.17000000e-01 1.00800 0
- 821 WATR 98 HOH OT 70 -8.34000000e-01 15.9994 0
- 822 WATR 98 HOH HT 1 4.17000000e-01 1.00800 0
+ 821 WATR 97 HOH HT 1 4.17000000e-01 1.00800 0
+ 822 WATR 98 HOH OT 70 -8.34000000e-01 15.9994 0
823 WATR 98 HOH HT 1 4.17000000e-01 1.00800 0
- 824 SALT 3 ION SOD 90 1.00000000e+00 22.9897 0
+ 824 WATR 98 HOH HT 1 4.17000000e-01 1.00800 0
825 WATR 99 HOH OT 70 -8.34000000e-01 15.9994 0
826 WATR 99 HOH HT 1 4.17000000e-01 1.00800 0
827 WATR 99 HOH HT 1 4.17000000e-01 1.00800 0
@@ -862,1114 +862,1114 @@ PSF
855 WATR 109 HOH OT 70 -8.34000000e-01 15.9994 0
856 WATR 109 HOH HT 1 4.17000000e-01 1.00800 0
857 WATR 109 HOH HT 1 4.17000000e-01 1.00800 0
- 858 SALT 4 ION SOD 90 1.00000000e+00 22.9897 0
- 859 WATR 110 HOH OT 70 -8.34000000e-01 15.9994 0
+ 858 WATR 110 HOH OT 70 -8.34000000e-01 15.9994 0
+ 859 WATR 110 HOH HT 1 4.17000000e-01 1.00800 0
860 WATR 110 HOH HT 1 4.17000000e-01 1.00800 0
- 861 WATR 110 HOH HT 1 4.17000000e-01 1.00800 0
- 862 WATR 111 HOH OT 70 -8.34000000e-01 15.9994 0
+ 861 WATR 111 HOH OT 70 -8.34000000e-01 15.9994 0
+ 862 WATR 111 HOH HT 1 4.17000000e-01 1.00800 0
863 WATR 111 HOH HT 1 4.17000000e-01 1.00800 0
- 864 WATR 111 HOH HT 1 4.17000000e-01 1.00800 0
- 865 SALT 5 ION SOD 90 1.00000000e+00 22.9897 0
- 866 WATR 112 HOH OT 70 -8.34000000e-01 15.9994 0
- 867 WATR 112 HOH HT 1 4.17000000e-01 1.00800 0
- 868 WATR 112 HOH HT 1 4.17000000e-01 1.00800 0
- 869 WATR 113 HOH OT 70 -8.34000000e-01 15.9994 0
- 870 WATR 113 HOH HT 1 4.17000000e-01 1.00800 0
- 871 WATR 113 HOH HT 1 4.17000000e-01 1.00800 0
- 872 WATR 114 HOH OT 70 -8.34000000e-01 15.9994 0
- 873 WATR 114 HOH HT 1 4.17000000e-01 1.00800 0
- 874 WATR 114 HOH HT 1 4.17000000e-01 1.00800 0
- 875 WATR 115 HOH OT 70 -8.34000000e-01 15.9994 0
- 876 WATR 115 HOH HT 1 4.17000000e-01 1.00800 0
- 877 WATR 115 HOH HT 1 4.17000000e-01 1.00800 0
- 878 WATR 116 HOH OT 70 -8.34000000e-01 15.9994 0
- 879 WATR 116 HOH HT 1 4.17000000e-01 1.00800 0
- 880 WATR 116 HOH HT 1 4.17000000e-01 1.00800 0
- 881 WATR 117 HOH OT 70 -8.34000000e-01 15.9994 0
- 882 WATR 117 HOH HT 1 4.17000000e-01 1.00800 0
- 883 WATR 117 HOH HT 1 4.17000000e-01 1.00800 0
- 884 WATR 118 HOH OT 70 -8.34000000e-01 15.9994 0
- 885 WATR 118 HOH HT 1 4.17000000e-01 1.00800 0
- 886 WATR 118 HOH HT 1 4.17000000e-01 1.00800 0
- 887 WATR 119 HOH OT 70 -8.34000000e-01 15.9994 0
- 888 WATR 119 HOH HT 1 4.17000000e-01 1.00800 0
- 889 WATR 119 HOH HT 1 4.17000000e-01 1.00800 0
- 890 WATR 120 HOH OT 70 -8.34000000e-01 15.9994 0
- 891 WATR 120 HOH HT 1 4.17000000e-01 1.00800 0
- 892 WATR 120 HOH HT 1 4.17000000e-01 1.00800 0
- 893 WATR 121 HOH OT 70 -8.34000000e-01 15.9994 0
- 894 WATR 121 HOH HT 1 4.17000000e-01 1.00800 0
- 895 WATR 121 HOH HT 1 4.17000000e-01 1.00800 0
- 896 WATR 122 HOH OT 70 -8.34000000e-01 15.9994 0
- 897 WATR 122 HOH HT 1 4.17000000e-01 1.00800 0
- 898 WATR 122 HOH HT 1 4.17000000e-01 1.00800 0
- 899 WATR 123 HOH OT 70 -8.34000000e-01 15.9994 0
- 900 WATR 123 HOH HT 1 4.17000000e-01 1.00800 0
- 901 WATR 123 HOH HT 1 4.17000000e-01 1.00800 0
- 902 WATR 124 HOH OT 70 -8.34000000e-01 15.9994 0
- 903 WATR 124 HOH HT 1 4.17000000e-01 1.00800 0
- 904 WATR 124 HOH HT 1 4.17000000e-01 1.00800 0
- 905 WATR 125 HOH OT 70 -8.34000000e-01 15.9994 0
- 906 WATR 125 HOH HT 1 4.17000000e-01 1.00800 0
- 907 WATR 125 HOH HT 1 4.17000000e-01 1.00800 0
- 908 WATR 126 HOH OT 70 -8.34000000e-01 15.9994 0
- 909 WATR 126 HOH HT 1 4.17000000e-01 1.00800 0
- 910 WATR 126 HOH HT 1 4.17000000e-01 1.00800 0
- 911 WATR 127 HOH OT 70 -8.34000000e-01 15.9994 0
- 912 WATR 127 HOH HT 1 4.17000000e-01 1.00800 0
- 913 WATR 127 HOH HT 1 4.17000000e-01 1.00800 0
- 914 WATR 128 HOH OT 70 -8.34000000e-01 15.9994 0
- 915 WATR 128 HOH HT 1 4.17000000e-01 1.00800 0
- 916 WATR 128 HOH HT 1 4.17000000e-01 1.00800 0
- 917 WATR 129 HOH OT 70 -8.34000000e-01 15.9994 0
- 918 WATR 129 HOH HT 1 4.17000000e-01 1.00800 0
- 919 WATR 129 HOH HT 1 4.17000000e-01 1.00800 0
- 920 WATR 130 HOH OT 70 -8.34000000e-01 15.9994 0
- 921 WATR 130 HOH HT 1 4.17000000e-01 1.00800 0
- 922 WATR 130 HOH HT 1 4.17000000e-01 1.00800 0
- 923 WATR 131 HOH OT 70 -8.34000000e-01 15.9994 0
- 924 WATR 131 HOH HT 1 4.17000000e-01 1.00800 0
- 925 WATR 131 HOH HT 1 4.17000000e-01 1.00800 0
- 926 WATR 132 HOH OT 70 -8.34000000e-01 15.9994 0
- 927 WATR 132 HOH HT 1 4.17000000e-01 1.00800 0
- 928 WATR 132 HOH HT 1 4.17000000e-01 1.00800 0
- 929 WATR 133 HOH OT 70 -8.34000000e-01 15.9994 0
- 930 WATR 133 HOH HT 1 4.17000000e-01 1.00800 0
- 931 WATR 133 HOH HT 1 4.17000000e-01 1.00800 0
- 932 WATR 134 HOH OT 70 -8.34000000e-01 15.9994 0
- 933 WATR 134 HOH HT 1 4.17000000e-01 1.00800 0
- 934 WATR 134 HOH HT 1 4.17000000e-01 1.00800 0
- 935 WATR 135 HOH OT 70 -8.34000000e-01 15.9994 0
- 936 WATR 135 HOH HT 1 4.17000000e-01 1.00800 0
- 937 WATR 135 HOH HT 1 4.17000000e-01 1.00800 0
- 938 WATR 136 HOH OT 70 -8.34000000e-01 15.9994 0
- 939 WATR 136 HOH HT 1 4.17000000e-01 1.00800 0
- 940 WATR 136 HOH HT 1 4.17000000e-01 1.00800 0
- 941 WATR 137 HOH OT 70 -8.34000000e-01 15.9994 0
- 942 WATR 137 HOH HT 1 4.17000000e-01 1.00800 0
- 943 WATR 137 HOH HT 1 4.17000000e-01 1.00800 0
- 944 WATR 138 HOH OT 70 -8.34000000e-01 15.9994 0
- 945 WATR 138 HOH HT 1 4.17000000e-01 1.00800 0
- 946 WATR 138 HOH HT 1 4.17000000e-01 1.00800 0
- 947 WATR 139 HOH OT 70 -8.34000000e-01 15.9994 0
- 948 WATR 139 HOH HT 1 4.17000000e-01 1.00800 0
- 949 WATR 139 HOH HT 1 4.17000000e-01 1.00800 0
- 950 WATR 140 HOH OT 70 -8.34000000e-01 15.9994 0
- 951 WATR 140 HOH HT 1 4.17000000e-01 1.00800 0
- 952 WATR 140 HOH HT 1 4.17000000e-01 1.00800 0
- 953 WATR 141 HOH OT 70 -8.34000000e-01 15.9994 0
- 954 WATR 141 HOH HT 1 4.17000000e-01 1.00800 0
- 955 WATR 141 HOH HT 1 4.17000000e-01 1.00800 0
- 956 WATR 142 HOH OT 70 -8.34000000e-01 15.9994 0
- 957 WATR 142 HOH HT 1 4.17000000e-01 1.00800 0
- 958 WATR 142 HOH HT 1 4.17000000e-01 1.00800 0
- 959 WATR 143 HOH OT 70 -8.34000000e-01 15.9994 0
- 960 WATR 143 HOH HT 1 4.17000000e-01 1.00800 0
- 961 WATR 143 HOH HT 1 4.17000000e-01 1.00800 0
- 962 WATR 144 HOH OT 70 -8.34000000e-01 15.9994 0
- 963 WATR 144 HOH HT 1 4.17000000e-01 1.00800 0
- 964 WATR 144 HOH HT 1 4.17000000e-01 1.00800 0
- 965 WATR 145 HOH OT 70 -8.34000000e-01 15.9994 0
- 966 WATR 145 HOH HT 1 4.17000000e-01 1.00800 0
- 967 WATR 145 HOH HT 1 4.17000000e-01 1.00800 0
- 968 WATR 146 HOH OT 70 -8.34000000e-01 15.9994 0
- 969 WATR 146 HOH HT 1 4.17000000e-01 1.00800 0
- 970 WATR 146 HOH HT 1 4.17000000e-01 1.00800 0
- 971 WATR 147 HOH OT 70 -8.34000000e-01 15.9994 0
- 972 WATR 147 HOH HT 1 4.17000000e-01 1.00800 0
- 973 WATR 147 HOH HT 1 4.17000000e-01 1.00800 0
- 974 WATR 148 HOH OT 70 -8.34000000e-01 15.9994 0
- 975 WATR 148 HOH HT 1 4.17000000e-01 1.00800 0
- 976 WATR 148 HOH HT 1 4.17000000e-01 1.00800 0
- 977 WATR 149 HOH OT 70 -8.34000000e-01 15.9994 0
- 978 WATR 149 HOH HT 1 4.17000000e-01 1.00800 0
- 979 WATR 149 HOH HT 1 4.17000000e-01 1.00800 0
- 980 WATR 150 HOH OT 70 -8.34000000e-01 15.9994 0
- 981 WATR 150 HOH HT 1 4.17000000e-01 1.00800 0
- 982 WATR 150 HOH HT 1 4.17000000e-01 1.00800 0
- 983 WATR 151 HOH OT 70 -8.34000000e-01 15.9994 0
- 984 WATR 151 HOH HT 1 4.17000000e-01 1.00800 0
- 985 WATR 151 HOH HT 1 4.17000000e-01 1.00800 0
- 986 WATR 152 HOH OT 70 -8.34000000e-01 15.9994 0
- 987 WATR 152 HOH HT 1 4.17000000e-01 1.00800 0
- 988 WATR 152 HOH HT 1 4.17000000e-01 1.00800 0
- 989 WATR 153 HOH OT 70 -8.34000000e-01 15.9994 0
- 990 WATR 153 HOH HT 1 4.17000000e-01 1.00800 0
- 991 WATR 153 HOH HT 1 4.17000000e-01 1.00800 0
- 992 WATR 154 HOH OT 70 -8.34000000e-01 15.9994 0
- 993 WATR 154 HOH HT 1 4.17000000e-01 1.00800 0
- 994 WATR 154 HOH HT 1 4.17000000e-01 1.00800 0
- 995 WATR 155 HOH OT 70 -8.34000000e-01 15.9994 0
- 996 WATR 155 HOH HT 1 4.17000000e-01 1.00800 0
- 997 WATR 155 HOH HT 1 4.17000000e-01 1.00800 0
- 998 WATR 156 HOH OT 70 -8.34000000e-01 15.9994 0
- 999 WATR 156 HOH HT 1 4.17000000e-01 1.00800 0
- 1000 WATR 156 HOH HT 1 4.17000000e-01 1.00800 0
- 1001 WATR 157 HOH OT 70 -8.34000000e-01 15.9994 0
- 1002 WATR 157 HOH HT 1 4.17000000e-01 1.00800 0
- 1003 WATR 157 HOH HT 1 4.17000000e-01 1.00800 0
- 1004 WATR 158 HOH OT 70 -8.34000000e-01 15.9994 0
- 1005 WATR 158 HOH HT 1 4.17000000e-01 1.00800 0
- 1006 WATR 158 HOH HT 1 4.17000000e-01 1.00800 0
- 1007 WATR 159 HOH OT 70 -8.34000000e-01 15.9994 0
- 1008 WATR 159 HOH HT 1 4.17000000e-01 1.00800 0
- 1009 WATR 159 HOH HT 1 4.17000000e-01 1.00800 0
- 1010 SALT 6 ION SOD 90 1.00000000e+00 22.9897 0
- 1011 WATR 160 HOH OT 70 -8.34000000e-01 15.9994 0
- 1012 WATR 160 HOH HT 1 4.17000000e-01 1.00800 0
- 1013 WATR 160 HOH HT 1 4.17000000e-01 1.00800 0
- 1014 WATR 161 HOH OT 70 -8.34000000e-01 15.9994 0
- 1015 WATR 161 HOH HT 1 4.17000000e-01 1.00800 0
- 1016 WATR 161 HOH HT 1 4.17000000e-01 1.00800 0
- 1017 WATR 162 HOH OT 70 -8.34000000e-01 15.9994 0
- 1018 WATR 162 HOH HT 1 4.17000000e-01 1.00800 0
- 1019 WATR 162 HOH HT 1 4.17000000e-01 1.00800 0
- 1020 WATR 163 HOH OT 70 -8.34000000e-01 15.9994 0
- 1021 WATR 163 HOH HT 1 4.17000000e-01 1.00800 0
- 1022 WATR 163 HOH HT 1 4.17000000e-01 1.00800 0
- 1023 WATR 164 HOH OT 70 -8.34000000e-01 15.9994 0
- 1024 WATR 164 HOH HT 1 4.17000000e-01 1.00800 0
- 1025 WATR 164 HOH HT 1 4.17000000e-01 1.00800 0
- 1026 WATR 165 HOH OT 70 -8.34000000e-01 15.9994 0
- 1027 WATR 165 HOH HT 1 4.17000000e-01 1.00800 0
- 1028 WATR 165 HOH HT 1 4.17000000e-01 1.00800 0
- 1029 WATR 166 HOH OT 70 -8.34000000e-01 15.9994 0
- 1030 WATR 166 HOH HT 1 4.17000000e-01 1.00800 0
- 1031 WATR 166 HOH HT 1 4.17000000e-01 1.00800 0
- 1032 WATR 167 HOH OT 70 -8.34000000e-01 15.9994 0
- 1033 WATR 167 HOH HT 1 4.17000000e-01 1.00800 0
- 1034 WATR 167 HOH HT 1 4.17000000e-01 1.00800 0
- 1035 WATR 168 HOH OT 70 -8.34000000e-01 15.9994 0
- 1036 WATR 168 HOH HT 1 4.17000000e-01 1.00800 0
- 1037 WATR 168 HOH HT 1 4.17000000e-01 1.00800 0
- 1038 WATR 169 HOH OT 70 -8.34000000e-01 15.9994 0
- 1039 WATR 169 HOH HT 1 4.17000000e-01 1.00800 0
- 1040 WATR 169 HOH HT 1 4.17000000e-01 1.00800 0
- 1041 WATR 170 HOH OT 70 -8.34000000e-01 15.9994 0
- 1042 WATR 170 HOH HT 1 4.17000000e-01 1.00800 0
- 1043 WATR 170 HOH HT 1 4.17000000e-01 1.00800 0
- 1044 WATR 171 HOH OT 70 -8.34000000e-01 15.9994 0
- 1045 WATR 171 HOH HT 1 4.17000000e-01 1.00800 0
- 1046 WATR 171 HOH HT 1 4.17000000e-01 1.00800 0
- 1047 WATR 172 HOH OT 70 -8.34000000e-01 15.9994 0
- 1048 WATR 172 HOH HT 1 4.17000000e-01 1.00800 0
- 1049 WATR 172 HOH HT 1 4.17000000e-01 1.00800 0
- 1050 WATR 173 HOH OT 70 -8.34000000e-01 15.9994 0
- 1051 WATR 173 HOH HT 1 4.17000000e-01 1.00800 0
- 1052 WATR 173 HOH HT 1 4.17000000e-01 1.00800 0
- 1053 WATR 174 HOH OT 70 -8.34000000e-01 15.9994 0
- 1054 WATR 174 HOH HT 1 4.17000000e-01 1.00800 0
- 1055 WATR 174 HOH HT 1 4.17000000e-01 1.00800 0
- 1056 WATR 175 HOH OT 70 -8.34000000e-01 15.9994 0
- 1057 WATR 175 HOH HT 1 4.17000000e-01 1.00800 0
- 1058 WATR 175 HOH HT 1 4.17000000e-01 1.00800 0
- 1059 WATR 176 HOH OT 70 -8.34000000e-01 15.9994 0
- 1060 WATR 176 HOH HT 1 4.17000000e-01 1.00800 0
- 1061 WATR 176 HOH HT 1 4.17000000e-01 1.00800 0
- 1062 SALT 7 ION SOD 90 1.00000000e+00 22.9897 0
- 1063 WATR 177 HOH OT 70 -8.34000000e-01 15.9994 0
- 1064 WATR 177 HOH HT 1 4.17000000e-01 1.00800 0
- 1065 WATR 177 HOH HT 1 4.17000000e-01 1.00800 0
- 1066 WATR 178 HOH OT 70 -8.34000000e-01 15.9994 0
- 1067 WATR 178 HOH HT 1 4.17000000e-01 1.00800 0
- 1068 WATR 178 HOH HT 1 4.17000000e-01 1.00800 0
- 1069 WATR 179 HOH OT 70 -8.34000000e-01 15.9994 0
- 1070 WATR 179 HOH HT 1 4.17000000e-01 1.00800 0
- 1071 WATR 179 HOH HT 1 4.17000000e-01 1.00800 0
- 1072 WATR 180 HOH OT 70 -8.34000000e-01 15.9994 0
- 1073 WATR 180 HOH HT 1 4.17000000e-01 1.00800 0
- 1074 WATR 180 HOH HT 1 4.17000000e-01 1.00800 0
- 1075 WATR 181 HOH OT 70 -8.34000000e-01 15.9994 0
- 1076 WATR 181 HOH HT 1 4.17000000e-01 1.00800 0
- 1077 WATR 181 HOH HT 1 4.17000000e-01 1.00800 0
- 1078 WATR 182 HOH OT 70 -8.34000000e-01 15.9994 0
- 1079 WATR 182 HOH HT 1 4.17000000e-01 1.00800 0
- 1080 WATR 182 HOH HT 1 4.17000000e-01 1.00800 0
- 1081 WATR 183 HOH OT 70 -8.34000000e-01 15.9994 0
- 1082 WATR 183 HOH HT 1 4.17000000e-01 1.00800 0
- 1083 WATR 183 HOH HT 1 4.17000000e-01 1.00800 0
- 1084 WATR 184 HOH OT 70 -8.34000000e-01 15.9994 0
- 1085 WATR 184 HOH HT 1 4.17000000e-01 1.00800 0
- 1086 WATR 184 HOH HT 1 4.17000000e-01 1.00800 0
- 1087 WATR 185 HOH OT 70 -8.34000000e-01 15.9994 0
- 1088 WATR 185 HOH HT 1 4.17000000e-01 1.00800 0
- 1089 WATR 185 HOH HT 1 4.17000000e-01 1.00800 0
- 1090 WATR 186 HOH OT 70 -8.34000000e-01 15.9994 0
- 1091 WATR 186 HOH HT 1 4.17000000e-01 1.00800 0
- 1092 WATR 186 HOH HT 1 4.17000000e-01 1.00800 0
- 1093 WATR 187 HOH OT 70 -8.34000000e-01 15.9994 0
- 1094 WATR 187 HOH HT 1 4.17000000e-01 1.00800 0
- 1095 WATR 187 HOH HT 1 4.17000000e-01 1.00800 0
- 1096 WATR 188 HOH OT 70 -8.34000000e-01 15.9994 0
- 1097 WATR 188 HOH HT 1 4.17000000e-01 1.00800 0
- 1098 WATR 188 HOH HT 1 4.17000000e-01 1.00800 0
- 1099 WATR 189 HOH OT 70 -8.34000000e-01 15.9994 0
- 1100 WATR 189 HOH HT 1 4.17000000e-01 1.00800 0
- 1101 WATR 189 HOH HT 1 4.17000000e-01 1.00800 0
- 1102 WATR 190 HOH OT 70 -8.34000000e-01 15.9994 0
- 1103 WATR 190 HOH HT 1 4.17000000e-01 1.00800 0
- 1104 WATR 190 HOH HT 1 4.17000000e-01 1.00800 0
- 1105 WATR 191 HOH OT 70 -8.34000000e-01 15.9994 0
- 1106 WATR 191 HOH HT 1 4.17000000e-01 1.00800 0
- 1107 WATR 191 HOH HT 1 4.17000000e-01 1.00800 0
- 1108 WATR 192 HOH OT 70 -8.34000000e-01 15.9994 0
- 1109 WATR 192 HOH HT 1 4.17000000e-01 1.00800 0
- 1110 WATR 192 HOH HT 1 4.17000000e-01 1.00800 0
- 1111 WATR 193 HOH OT 70 -8.34000000e-01 15.9994 0
- 1112 WATR 193 HOH HT 1 4.17000000e-01 1.00800 0
- 1113 WATR 193 HOH HT 1 4.17000000e-01 1.00800 0
- 1114 WATR 194 HOH OT 70 -8.34000000e-01 15.9994 0
- 1115 WATR 194 HOH HT 1 4.17000000e-01 1.00800 0
- 1116 WATR 194 HOH HT 1 4.17000000e-01 1.00800 0
- 1117 WATR 195 HOH OT 70 -8.34000000e-01 15.9994 0
- 1118 WATR 195 HOH HT 1 4.17000000e-01 1.00800 0
- 1119 WATR 195 HOH HT 1 4.17000000e-01 1.00800 0
- 1120 WATR 196 HOH OT 70 -8.34000000e-01 15.9994 0
- 1121 WATR 196 HOH HT 1 4.17000000e-01 1.00800 0
- 1122 WATR 196 HOH HT 1 4.17000000e-01 1.00800 0
- 1123 WATR 197 HOH OT 70 -8.34000000e-01 15.9994 0
- 1124 WATR 197 HOH HT 1 4.17000000e-01 1.00800 0
- 1125 WATR 197 HOH HT 1 4.17000000e-01 1.00800 0
- 1126 WATR 198 HOH OT 70 -8.34000000e-01 15.9994 0
- 1127 WATR 198 HOH HT 1 4.17000000e-01 1.00800 0
- 1128 WATR 198 HOH HT 1 4.17000000e-01 1.00800 0
- 1129 WATR 199 HOH OT 70 -8.34000000e-01 15.9994 0
- 1130 WATR 199 HOH HT 1 4.17000000e-01 1.00800 0
- 1131 WATR 199 HOH HT 1 4.17000000e-01 1.00800 0
- 1132 WATR 200 HOH OT 70 -8.34000000e-01 15.9994 0
- 1133 WATR 200 HOH HT 1 4.17000000e-01 1.00800 0
- 1134 WATR 200 HOH HT 1 4.17000000e-01 1.00800 0
- 1135 WATR 201 HOH OT 70 -8.34000000e-01 15.9994 0
- 1136 WATR 201 HOH HT 1 4.17000000e-01 1.00800 0
- 1137 WATR 201 HOH HT 1 4.17000000e-01 1.00800 0
- 1138 WATR 202 HOH OT 70 -8.34000000e-01 15.9994 0
- 1139 WATR 202 HOH HT 1 4.17000000e-01 1.00800 0
- 1140 WATR 202 HOH HT 1 4.17000000e-01 1.00800 0
- 1141 WATR 203 HOH OT 70 -8.34000000e-01 15.9994 0
- 1142 WATR 203 HOH HT 1 4.17000000e-01 1.00800 0
- 1143 WATR 203 HOH HT 1 4.17000000e-01 1.00800 0
- 1144 WATR 204 HOH OT 70 -8.34000000e-01 15.9994 0
- 1145 WATR 204 HOH HT 1 4.17000000e-01 1.00800 0
- 1146 WATR 204 HOH HT 1 4.17000000e-01 1.00800 0
- 1147 WATR 205 HOH OT 70 -8.34000000e-01 15.9994 0
- 1148 WATR 205 HOH HT 1 4.17000000e-01 1.00800 0
- 1149 WATR 205 HOH HT 1 4.17000000e-01 1.00800 0
- 1150 WATR 206 HOH OT 70 -8.34000000e-01 15.9994 0
- 1151 WATR 206 HOH HT 1 4.17000000e-01 1.00800 0
- 1152 WATR 206 HOH HT 1 4.17000000e-01 1.00800 0
- 1153 WATR 207 HOH OT 70 -8.34000000e-01 15.9994 0
- 1154 WATR 207 HOH HT 1 4.17000000e-01 1.00800 0
- 1155 WATR 207 HOH HT 1 4.17000000e-01 1.00800 0
- 1156 WATR 208 HOH OT 70 -8.34000000e-01 15.9994 0
- 1157 WATR 208 HOH HT 1 4.17000000e-01 1.00800 0
- 1158 WATR 208 HOH HT 1 4.17000000e-01 1.00800 0
- 1159 WATR 209 HOH OT 70 -8.34000000e-01 15.9994 0
- 1160 WATR 209 HOH HT 1 4.17000000e-01 1.00800 0
- 1161 WATR 209 HOH HT 1 4.17000000e-01 1.00800 0
- 1162 WATR 210 HOH OT 70 -8.34000000e-01 15.9994 0
- 1163 WATR 210 HOH HT 1 4.17000000e-01 1.00800 0
- 1164 WATR 210 HOH HT 1 4.17000000e-01 1.00800 0
- 1165 WATR 211 HOH OT 70 -8.34000000e-01 15.9994 0
- 1166 WATR 211 HOH HT 1 4.17000000e-01 1.00800 0
- 1167 WATR 211 HOH HT 1 4.17000000e-01 1.00800 0
- 1168 WATR 212 HOH OT 70 -8.34000000e-01 15.9994 0
- 1169 WATR 212 HOH HT 1 4.17000000e-01 1.00800 0
- 1170 WATR 212 HOH HT 1 4.17000000e-01 1.00800 0
- 1171 WATR 213 HOH OT 70 -8.34000000e-01 15.9994 0
- 1172 WATR 213 HOH HT 1 4.17000000e-01 1.00800 0
- 1173 WATR 213 HOH HT 1 4.17000000e-01 1.00800 0
- 1174 WATR 214 HOH OT 70 -8.34000000e-01 15.9994 0
- 1175 WATR 214 HOH HT 1 4.17000000e-01 1.00800 0
- 1176 WATR 214 HOH HT 1 4.17000000e-01 1.00800 0
- 1177 WATR 215 HOH OT 70 -8.34000000e-01 15.9994 0
- 1178 WATR 215 HOH HT 1 4.17000000e-01 1.00800 0
- 1179 WATR 215 HOH HT 1 4.17000000e-01 1.00800 0
- 1180 WATR 216 HOH OT 70 -8.34000000e-01 15.9994 0
- 1181 WATR 216 HOH HT 1 4.17000000e-01 1.00800 0
- 1182 WATR 216 HOH HT 1 4.17000000e-01 1.00800 0
- 1183 WATR 217 HOH OT 70 -8.34000000e-01 15.9994 0
- 1184 WATR 217 HOH HT 1 4.17000000e-01 1.00800 0
- 1185 WATR 217 HOH HT 1 4.17000000e-01 1.00800 0
- 1186 WATR 218 HOH OT 70 -8.34000000e-01 15.9994 0
- 1187 WATR 218 HOH HT 1 4.17000000e-01 1.00800 0
- 1188 WATR 218 HOH HT 1 4.17000000e-01 1.00800 0
- 1189 WATR 219 HOH OT 70 -8.34000000e-01 15.9994 0
- 1190 WATR 219 HOH HT 1 4.17000000e-01 1.00800 0
- 1191 WATR 219 HOH HT 1 4.17000000e-01 1.00800 0
- 1192 WATR 220 HOH OT 70 -8.34000000e-01 15.9994 0
- 1193 WATR 220 HOH HT 1 4.17000000e-01 1.00800 0
- 1194 WATR 220 HOH HT 1 4.17000000e-01 1.00800 0
- 1195 WATR 221 HOH OT 70 -8.34000000e-01 15.9994 0
- 1196 WATR 221 HOH HT 1 4.17000000e-01 1.00800 0
- 1197 WATR 221 HOH HT 1 4.17000000e-01 1.00800 0
- 1198 WATR 222 HOH OT 70 -8.34000000e-01 15.9994 0
- 1199 WATR 222 HOH HT 1 4.17000000e-01 1.00800 0
- 1200 WATR 222 HOH HT 1 4.17000000e-01 1.00800 0
- 1201 WATR 223 HOH OT 70 -8.34000000e-01 15.9994 0
- 1202 WATR 223 HOH HT 1 4.17000000e-01 1.00800 0
- 1203 WATR 223 HOH HT 1 4.17000000e-01 1.00800 0
- 1204 WATR 224 HOH OT 70 -8.34000000e-01 15.9994 0
- 1205 WATR 224 HOH HT 1 4.17000000e-01 1.00800 0
- 1206 WATR 224 HOH HT 1 4.17000000e-01 1.00800 0
- 1207 WATR 225 HOH OT 70 -8.34000000e-01 15.9994 0
- 1208 WATR 225 HOH HT 1 4.17000000e-01 1.00800 0
- 1209 WATR 225 HOH HT 1 4.17000000e-01 1.00800 0
- 1210 WATR 226 HOH OT 70 -8.34000000e-01 15.9994 0
- 1211 WATR 226 HOH HT 1 4.17000000e-01 1.00800 0
- 1212 WATR 226 HOH HT 1 4.17000000e-01 1.00800 0
- 1213 WATR 227 HOH OT 70 -8.34000000e-01 15.9994 0
- 1214 WATR 227 HOH HT 1 4.17000000e-01 1.00800 0
- 1215 WATR 227 HOH HT 1 4.17000000e-01 1.00800 0
- 1216 WATR 228 HOH OT 70 -8.34000000e-01 15.9994 0
- 1217 WATR 228 HOH HT 1 4.17000000e-01 1.00800 0
- 1218 WATR 228 HOH HT 1 4.17000000e-01 1.00800 0
- 1219 WATR 229 HOH OT 70 -8.34000000e-01 15.9994 0
- 1220 WATR 229 HOH HT 1 4.17000000e-01 1.00800 0
- 1221 WATR 229 HOH HT 1 4.17000000e-01 1.00800 0
- 1222 WATR 230 HOH OT 70 -8.34000000e-01 15.9994 0
- 1223 WATR 230 HOH HT 1 4.17000000e-01 1.00800 0
- 1224 WATR 230 HOH HT 1 4.17000000e-01 1.00800 0
- 1225 WATR 231 HOH OT 70 -8.34000000e-01 15.9994 0
- 1226 WATR 231 HOH HT 1 4.17000000e-01 1.00800 0
- 1227 WATR 231 HOH HT 1 4.17000000e-01 1.00800 0
- 1228 WATR 232 HOH OT 70 -8.34000000e-01 15.9994 0
- 1229 WATR 232 HOH HT 1 4.17000000e-01 1.00800 0
- 1230 WATR 232 HOH HT 1 4.17000000e-01 1.00800 0
- 1231 WATR 233 HOH OT 70 -8.34000000e-01 15.9994 0
- 1232 WATR 233 HOH HT 1 4.17000000e-01 1.00800 0
- 1233 WATR 233 HOH HT 1 4.17000000e-01 1.00800 0
- 1234 WATR 234 HOH OT 70 -8.34000000e-01 15.9994 0
- 1235 WATR 234 HOH HT 1 4.17000000e-01 1.00800 0
- 1236 WATR 234 HOH HT 1 4.17000000e-01 1.00800 0
- 1237 WATR 235 HOH OT 70 -8.34000000e-01 15.9994 0
- 1238 WATR 235 HOH HT 1 4.17000000e-01 1.00800 0
- 1239 WATR 235 HOH HT 1 4.17000000e-01 1.00800 0
- 1240 WATR 236 HOH OT 70 -8.34000000e-01 15.9994 0
- 1241 WATR 236 HOH HT 1 4.17000000e-01 1.00800 0
- 1242 WATR 236 HOH HT 1 4.17000000e-01 1.00800 0
- 1243 WATR 237 HOH OT 70 -8.34000000e-01 15.9994 0
- 1244 WATR 237 HOH HT 1 4.17000000e-01 1.00800 0
- 1245 WATR 237 HOH HT 1 4.17000000e-01 1.00800 0
- 1246 WATR 238 HOH OT 70 -8.34000000e-01 15.9994 0
- 1247 WATR 238 HOH HT 1 4.17000000e-01 1.00800 0
- 1248 WATR 238 HOH HT 1 4.17000000e-01 1.00800 0
- 1249 WATR 239 HOH OT 70 -8.34000000e-01 15.9994 0
- 1250 WATR 239 HOH HT 1 4.17000000e-01 1.00800 0
- 1251 WATR 239 HOH HT 1 4.17000000e-01 1.00800 0
- 1252 WATR 240 HOH OT 70 -8.34000000e-01 15.9994 0
- 1253 WATR 240 HOH HT 1 4.17000000e-01 1.00800 0
- 1254 WATR 240 HOH HT 1 4.17000000e-01 1.00800 0
- 1255 WATR 241 HOH OT 70 -8.34000000e-01 15.9994 0
- 1256 WATR 241 HOH HT 1 4.17000000e-01 1.00800 0
- 1257 WATR 241 HOH HT 1 4.17000000e-01 1.00800 0
- 1258 WATR 242 HOH OT 70 -8.34000000e-01 15.9994 0
- 1259 WATR 242 HOH HT 1 4.17000000e-01 1.00800 0
- 1260 WATR 242 HOH HT 1 4.17000000e-01 1.00800 0
- 1261 WATR 243 HOH OT 70 -8.34000000e-01 15.9994 0
- 1262 WATR 243 HOH HT 1 4.17000000e-01 1.00800 0
- 1263 WATR 243 HOH HT 1 4.17000000e-01 1.00800 0
- 1264 SALT 8 ION SOD 90 1.00000000e+00 22.9897 0
- 1265 WATR 244 HOH OT 70 -8.34000000e-01 15.9994 0
- 1266 WATR 244 HOH HT 1 4.17000000e-01 1.00800 0
- 1267 WATR 244 HOH HT 1 4.17000000e-01 1.00800 0
- 1268 WATR 245 HOH OT 70 -8.34000000e-01 15.9994 0
- 1269 WATR 245 HOH HT 1 4.17000000e-01 1.00800 0
- 1270 WATR 245 HOH HT 1 4.17000000e-01 1.00800 0
- 1271 WATR 246 HOH OT 70 -8.34000000e-01 15.9994 0
- 1272 WATR 246 HOH HT 1 4.17000000e-01 1.00800 0
- 1273 WATR 246 HOH HT 1 4.17000000e-01 1.00800 0
- 1274 WATR 247 HOH OT 70 -8.34000000e-01 15.9994 0
- 1275 WATR 247 HOH HT 1 4.17000000e-01 1.00800 0
- 1276 WATR 247 HOH HT 1 4.17000000e-01 1.00800 0
- 1277 WATR 248 HOH OT 70 -8.34000000e-01 15.9994 0
- 1278 WATR 248 HOH HT 1 4.17000000e-01 1.00800 0
- 1279 WATR 248 HOH HT 1 4.17000000e-01 1.00800 0
- 1280 WATR 249 HOH OT 70 -8.34000000e-01 15.9994 0
- 1281 WATR 249 HOH HT 1 4.17000000e-01 1.00800 0
- 1282 WATR 249 HOH HT 1 4.17000000e-01 1.00800 0
- 1283 WATR 250 HOH OT 70 -8.34000000e-01 15.9994 0
- 1284 WATR 250 HOH HT 1 4.17000000e-01 1.00800 0
- 1285 WATR 250 HOH HT 1 4.17000000e-01 1.00800 0
- 1286 WATR 251 HOH OT 70 -8.34000000e-01 15.9994 0
- 1287 WATR 251 HOH HT 1 4.17000000e-01 1.00800 0
- 1288 WATR 251 HOH HT 1 4.17000000e-01 1.00800 0
- 1289 WATR 252 HOH OT 70 -8.34000000e-01 15.9994 0
- 1290 WATR 252 HOH HT 1 4.17000000e-01 1.00800 0
- 1291 WATR 252 HOH HT 1 4.17000000e-01 1.00800 0
- 1292 WATR 253 HOH OT 70 -8.34000000e-01 15.9994 0
- 1293 WATR 253 HOH HT 1 4.17000000e-01 1.00800 0
- 1294 WATR 253 HOH HT 1 4.17000000e-01 1.00800 0
- 1295 WATR 254 HOH OT 70 -8.34000000e-01 15.9994 0
- 1296 WATR 254 HOH HT 1 4.17000000e-01 1.00800 0
- 1297 WATR 254 HOH HT 1 4.17000000e-01 1.00800 0
- 1298 WATR 255 HOH OT 70 -8.34000000e-01 15.9994 0
- 1299 WATR 255 HOH HT 1 4.17000000e-01 1.00800 0
- 1300 WATR 255 HOH HT 1 4.17000000e-01 1.00800 0
- 1301 WATR 256 HOH OT 70 -8.34000000e-01 15.9994 0
- 1302 WATR 256 HOH HT 1 4.17000000e-01 1.00800 0
- 1303 WATR 256 HOH HT 1 4.17000000e-01 1.00800 0
- 1304 WATR 257 HOH OT 70 -8.34000000e-01 15.9994 0
- 1305 WATR 257 HOH HT 1 4.17000000e-01 1.00800 0
- 1306 WATR 257 HOH HT 1 4.17000000e-01 1.00800 0
- 1307 WATR 258 HOH OT 70 -8.34000000e-01 15.9994 0
- 1308 WATR 258 HOH HT 1 4.17000000e-01 1.00800 0
- 1309 WATR 258 HOH HT 1 4.17000000e-01 1.00800 0
- 1310 WATR 259 HOH OT 70 -8.34000000e-01 15.9994 0
- 1311 WATR 259 HOH HT 1 4.17000000e-01 1.00800 0
- 1312 WATR 259 HOH HT 1 4.17000000e-01 1.00800 0
- 1313 WATR 260 HOH OT 70 -8.34000000e-01 15.9994 0
- 1314 WATR 260 HOH HT 1 4.17000000e-01 1.00800 0
- 1315 WATR 260 HOH HT 1 4.17000000e-01 1.00800 0
- 1316 WATR 261 HOH OT 70 -8.34000000e-01 15.9994 0
- 1317 WATR 261 HOH HT 1 4.17000000e-01 1.00800 0
- 1318 WATR 261 HOH HT 1 4.17000000e-01 1.00800 0
- 1319 WATR 262 HOH OT 70 -8.34000000e-01 15.9994 0
- 1320 WATR 262 HOH HT 1 4.17000000e-01 1.00800 0
- 1321 WATR 262 HOH HT 1 4.17000000e-01 1.00800 0
- 1322 WATR 263 HOH OT 70 -8.34000000e-01 15.9994 0
- 1323 WATR 263 HOH HT 1 4.17000000e-01 1.00800 0
- 1324 WATR 263 HOH HT 1 4.17000000e-01 1.00800 0
- 1325 WATR 264 HOH OT 70 -8.34000000e-01 15.9994 0
- 1326 WATR 264 HOH HT 1 4.17000000e-01 1.00800 0
- 1327 WATR 264 HOH HT 1 4.17000000e-01 1.00800 0
- 1328 WATR 265 HOH OT 70 -8.34000000e-01 15.9994 0
- 1329 WATR 265 HOH HT 1 4.17000000e-01 1.00800 0
- 1330 WATR 265 HOH HT 1 4.17000000e-01 1.00800 0
- 1331 WATR 266 HOH OT 70 -8.34000000e-01 15.9994 0
- 1332 WATR 266 HOH HT 1 4.17000000e-01 1.00800 0
- 1333 WATR 266 HOH HT 1 4.17000000e-01 1.00800 0
- 1334 WATR 267 HOH OT 70 -8.34000000e-01 15.9994 0
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- 1336 WATR 267 HOH HT 1 4.17000000e-01 1.00800 0
- 1337 WATR 268 HOH OT 70 -8.34000000e-01 15.9994 0
- 1338 WATR 268 HOH HT 1 4.17000000e-01 1.00800 0
- 1339 WATR 268 HOH HT 1 4.17000000e-01 1.00800 0
- 1340 WATR 269 HOH OT 70 -8.34000000e-01 15.9994 0
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- 1342 WATR 269 HOH HT 1 4.17000000e-01 1.00800 0
- 1343 WATR 270 HOH OT 70 -8.34000000e-01 15.9994 0
- 1344 WATR 270 HOH HT 1 4.17000000e-01 1.00800 0
- 1345 WATR 270 HOH HT 1 4.17000000e-01 1.00800 0
- 1346 WATR 271 HOH OT 70 -8.34000000e-01 15.9994 0
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- 1348 WATR 271 HOH HT 1 4.17000000e-01 1.00800 0
- 1349 WATR 272 HOH OT 70 -8.34000000e-01 15.9994 0
- 1350 WATR 272 HOH HT 1 4.17000000e-01 1.00800 0
- 1351 WATR 272 HOH HT 1 4.17000000e-01 1.00800 0
- 1352 WATR 273 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 899 WATR 123 HOH HT 1 4.17000000e-01 1.00800 0
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+ 903 WATR 125 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 908 WATR 126 HOH HT 1 4.17000000e-01 1.00800 0
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+ 1264 SALT 5 ION SOD 90 1.00000000e+00 22.9897 0
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+ 1334 SALT 6 ION SOD 90 1.00000000e+00 22.9897 0
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+ 1349 WATR 272 HOH HT 1 4.17000000e-01 1.00800 0
+ 1350 SALT 7 ION SOD 90 1.00000000e+00 22.9897 0
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+ 1352 WATR 273 HOH HT 1 4.17000000e-01 1.00800 0
1353 WATR 273 HOH HT 1 4.17000000e-01 1.00800 0
- 1354 WATR 273 HOH HT 1 4.17000000e-01 1.00800 0
- 1355 WATR 274 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1354 WATR 274 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1355 WATR 274 HOH HT 1 4.17000000e-01 1.00800 0
1356 WATR 274 HOH HT 1 4.17000000e-01 1.00800 0
- 1357 WATR 274 HOH HT 1 4.17000000e-01 1.00800 0
- 1358 WATR 275 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1357 WATR 275 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1358 WATR 275 HOH HT 1 4.17000000e-01 1.00800 0
1359 WATR 275 HOH HT 1 4.17000000e-01 1.00800 0
- 1360 WATR 275 HOH HT 1 4.17000000e-01 1.00800 0
- 1361 WATR 276 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1360 WATR 276 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1361 WATR 276 HOH HT 1 4.17000000e-01 1.00800 0
1362 WATR 276 HOH HT 1 4.17000000e-01 1.00800 0
- 1363 WATR 276 HOH HT 1 4.17000000e-01 1.00800 0
- 1364 WATR 277 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1363 WATR 277 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1364 WATR 277 HOH HT 1 4.17000000e-01 1.00800 0
1365 WATR 277 HOH HT 1 4.17000000e-01 1.00800 0
- 1366 WATR 277 HOH HT 1 4.17000000e-01 1.00800 0
- 1367 WATR 278 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1366 WATR 278 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1367 WATR 278 HOH HT 1 4.17000000e-01 1.00800 0
1368 WATR 278 HOH HT 1 4.17000000e-01 1.00800 0
- 1369 WATR 278 HOH HT 1 4.17000000e-01 1.00800 0
- 1370 WATR 279 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1369 WATR 279 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1370 WATR 279 HOH HT 1 4.17000000e-01 1.00800 0
1371 WATR 279 HOH HT 1 4.17000000e-01 1.00800 0
- 1372 WATR 279 HOH HT 1 4.17000000e-01 1.00800 0
- 1373 WATR 280 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1372 WATR 280 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1373 WATR 280 HOH HT 1 4.17000000e-01 1.00800 0
1374 WATR 280 HOH HT 1 4.17000000e-01 1.00800 0
- 1375 WATR 280 HOH HT 1 4.17000000e-01 1.00800 0
- 1376 WATR 281 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1375 WATR 281 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1376 WATR 281 HOH HT 1 4.17000000e-01 1.00800 0
1377 WATR 281 HOH HT 1 4.17000000e-01 1.00800 0
- 1378 WATR 281 HOH HT 1 4.17000000e-01 1.00800 0
- 1379 WATR 282 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1378 WATR 282 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1379 WATR 282 HOH HT 1 4.17000000e-01 1.00800 0
1380 WATR 282 HOH HT 1 4.17000000e-01 1.00800 0
- 1381 WATR 282 HOH HT 1 4.17000000e-01 1.00800 0
- 1382 WATR 283 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1381 WATR 283 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1382 WATR 283 HOH HT 1 4.17000000e-01 1.00800 0
1383 WATR 283 HOH HT 1 4.17000000e-01 1.00800 0
- 1384 WATR 283 HOH HT 1 4.17000000e-01 1.00800 0
- 1385 WATR 284 HOH OT 70 -8.34000000e-01 15.9994 0
- 1386 WATR 284 HOH HT 1 4.17000000e-01 1.00800 0
+ 1384 SALT 8 ION SOD 90 1.00000000e+00 22.9897 0
+ 1385 SALT 9 ION SOD 90 1.00000000e+00 22.9897 0
+ 1386 WATR 284 HOH OT 70 -8.34000000e-01 15.9994 0
1387 WATR 284 HOH HT 1 4.17000000e-01 1.00800 0
- 1388 WATR 285 HOH OT 70 -8.34000000e-01 15.9994 0
- 1389 WATR 285 HOH HT 1 4.17000000e-01 1.00800 0
+ 1388 WATR 284 HOH HT 1 4.17000000e-01 1.00800 0
+ 1389 WATR 285 HOH OT 70 -8.34000000e-01 15.9994 0
1390 WATR 285 HOH HT 1 4.17000000e-01 1.00800 0
- 1391 WATR 286 HOH OT 70 -8.34000000e-01 15.9994 0
- 1392 WATR 286 HOH HT 1 4.17000000e-01 1.00800 0
+ 1391 WATR 285 HOH HT 1 4.17000000e-01 1.00800 0
+ 1392 WATR 286 HOH OT 70 -8.34000000e-01 15.9994 0
1393 WATR 286 HOH HT 1 4.17000000e-01 1.00800 0
- 1394 WATR 287 HOH OT 70 -8.34000000e-01 15.9994 0
- 1395 WATR 287 HOH HT 1 4.17000000e-01 1.00800 0
+ 1394 WATR 286 HOH HT 1 4.17000000e-01 1.00800 0
+ 1395 WATR 287 HOH OT 70 -8.34000000e-01 15.9994 0
1396 WATR 287 HOH HT 1 4.17000000e-01 1.00800 0
- 1397 WATR 288 HOH OT 70 -8.34000000e-01 15.9994 0
- 1398 WATR 288 HOH HT 1 4.17000000e-01 1.00800 0
+ 1397 WATR 287 HOH HT 1 4.17000000e-01 1.00800 0
+ 1398 WATR 288 HOH OT 70 -8.34000000e-01 15.9994 0
1399 WATR 288 HOH HT 1 4.17000000e-01 1.00800 0
- 1400 WATR 289 HOH OT 70 -8.34000000e-01 15.9994 0
- 1401 WATR 289 HOH HT 1 4.17000000e-01 1.00800 0
+ 1400 WATR 288 HOH HT 1 4.17000000e-01 1.00800 0
+ 1401 WATR 289 HOH OT 70 -8.34000000e-01 15.9994 0
1402 WATR 289 HOH HT 1 4.17000000e-01 1.00800 0
- 1403 WATR 290 HOH OT 70 -8.34000000e-01 15.9994 0
- 1404 WATR 290 HOH HT 1 4.17000000e-01 1.00800 0
+ 1403 WATR 289 HOH HT 1 4.17000000e-01 1.00800 0
+ 1404 WATR 290 HOH OT 70 -8.34000000e-01 15.9994 0
1405 WATR 290 HOH HT 1 4.17000000e-01 1.00800 0
- 1406 WATR 291 HOH OT 70 -8.34000000e-01 15.9994 0
- 1407 WATR 291 HOH HT 1 4.17000000e-01 1.00800 0
+ 1406 WATR 290 HOH HT 1 4.17000000e-01 1.00800 0
+ 1407 WATR 291 HOH OT 70 -8.34000000e-01 15.9994 0
1408 WATR 291 HOH HT 1 4.17000000e-01 1.00800 0
- 1409 WATR 292 HOH OT 70 -8.34000000e-01 15.9994 0
- 1410 WATR 292 HOH HT 1 4.17000000e-01 1.00800 0
+ 1409 WATR 291 HOH HT 1 4.17000000e-01 1.00800 0
+ 1410 WATR 292 HOH OT 70 -8.34000000e-01 15.9994 0
1411 WATR 292 HOH HT 1 4.17000000e-01 1.00800 0
- 1412 WATR 293 HOH OT 70 -8.34000000e-01 15.9994 0
- 1413 WATR 293 HOH HT 1 4.17000000e-01 1.00800 0
+ 1412 WATR 292 HOH HT 1 4.17000000e-01 1.00800 0
+ 1413 WATR 293 HOH OT 70 -8.34000000e-01 15.9994 0
1414 WATR 293 HOH HT 1 4.17000000e-01 1.00800 0
- 1415 WATR 294 HOH OT 70 -8.34000000e-01 15.9994 0
- 1416 WATR 294 HOH HT 1 4.17000000e-01 1.00800 0
+ 1415 WATR 293 HOH HT 1 4.17000000e-01 1.00800 0
+ 1416 WATR 294 HOH OT 70 -8.34000000e-01 15.9994 0
1417 WATR 294 HOH HT 1 4.17000000e-01 1.00800 0
- 1418 WATR 295 HOH OT 70 -8.34000000e-01 15.9994 0
- 1419 WATR 295 HOH HT 1 4.17000000e-01 1.00800 0
+ 1418 WATR 294 HOH HT 1 4.17000000e-01 1.00800 0
+ 1419 WATR 295 HOH OT 70 -8.34000000e-01 15.9994 0
1420 WATR 295 HOH HT 1 4.17000000e-01 1.00800 0
- 1421 WATR 296 HOH OT 70 -8.34000000e-01 15.9994 0
- 1422 WATR 296 HOH HT 1 4.17000000e-01 1.00800 0
+ 1421 WATR 295 HOH HT 1 4.17000000e-01 1.00800 0
+ 1422 WATR 296 HOH OT 70 -8.34000000e-01 15.9994 0
1423 WATR 296 HOH HT 1 4.17000000e-01 1.00800 0
- 1424 WATR 297 HOH OT 70 -8.34000000e-01 15.9994 0
- 1425 WATR 297 HOH HT 1 4.17000000e-01 1.00800 0
+ 1424 WATR 296 HOH HT 1 4.17000000e-01 1.00800 0
+ 1425 WATR 297 HOH OT 70 -8.34000000e-01 15.9994 0
1426 WATR 297 HOH HT 1 4.17000000e-01 1.00800 0
- 1427 WATR 298 HOH OT 70 -8.34000000e-01 15.9994 0
- 1428 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0
- 1429 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0
- 1430 WATR 299 HOH OT 70 -8.34000000e-01 15.9994 0
- 1431 WATR 299 HOH HT 1 4.17000000e-01 1.00800 0
- 1432 WATR 299 HOH HT 1 4.17000000e-01 1.00800 0
- 1433 WATR 300 HOH OT 70 -8.34000000e-01 15.9994 0
- 1434 WATR 300 HOH HT 1 4.17000000e-01 1.00800 0
- 1435 WATR 300 HOH HT 1 4.17000000e-01 1.00800 0
- 1436 WATR 301 HOH OT 70 -8.34000000e-01 15.9994 0
- 1437 WATR 301 HOH HT 1 4.17000000e-01 1.00800 0
- 1438 WATR 301 HOH HT 1 4.17000000e-01 1.00800 0
- 1439 WATR 302 HOH OT 70 -8.34000000e-01 15.9994 0
- 1440 WATR 302 HOH HT 1 4.17000000e-01 1.00800 0
- 1441 WATR 302 HOH HT 1 4.17000000e-01 1.00800 0
- 1442 WATR 303 HOH OT 70 -8.34000000e-01 15.9994 0
- 1443 WATR 303 HOH HT 1 4.17000000e-01 1.00800 0
- 1444 WATR 303 HOH HT 1 4.17000000e-01 1.00800 0
- 1445 WATR 304 HOH OT 70 -8.34000000e-01 15.9994 0
- 1446 WATR 304 HOH HT 1 4.17000000e-01 1.00800 0
- 1447 WATR 304 HOH HT 1 4.17000000e-01 1.00800 0
- 1448 WATR 305 HOH OT 70 -8.34000000e-01 15.9994 0
- 1449 WATR 305 HOH HT 1 4.17000000e-01 1.00800 0
- 1450 WATR 305 HOH HT 1 4.17000000e-01 1.00800 0
- 1451 WATR 306 HOH OT 70 -8.34000000e-01 15.9994 0
- 1452 WATR 306 HOH HT 1 4.17000000e-01 1.00800 0
- 1453 WATR 306 HOH HT 1 4.17000000e-01 1.00800 0
- 1454 WATR 307 HOH OT 70 -8.34000000e-01 15.9994 0
- 1455 WATR 307 HOH HT 1 4.17000000e-01 1.00800 0
- 1456 WATR 307 HOH HT 1 4.17000000e-01 1.00800 0
- 1457 WATR 308 HOH OT 70 -8.34000000e-01 15.9994 0
- 1458 WATR 308 HOH HT 1 4.17000000e-01 1.00800 0
- 1459 WATR 308 HOH HT 1 4.17000000e-01 1.00800 0
- 1460 WATR 309 HOH OT 70 -8.34000000e-01 15.9994 0
- 1461 WATR 309 HOH HT 1 4.17000000e-01 1.00800 0
- 1462 WATR 309 HOH HT 1 4.17000000e-01 1.00800 0
- 1463 WATR 310 HOH OT 70 -8.34000000e-01 15.9994 0
- 1464 WATR 310 HOH HT 1 4.17000000e-01 1.00800 0
- 1465 WATR 310 HOH HT 1 4.17000000e-01 1.00800 0
- 1466 WATR 311 HOH OT 70 -8.34000000e-01 15.9994 0
- 1467 WATR 311 HOH HT 1 4.17000000e-01 1.00800 0
- 1468 WATR 311 HOH HT 1 4.17000000e-01 1.00800 0
- 1469 SALT 9 ION SOD 90 1.00000000e+00 22.9897 0
- 1470 WATR 312 HOH OT 70 -8.34000000e-01 15.9994 0
- 1471 WATR 312 HOH HT 1 4.17000000e-01 1.00800 0
- 1472 WATR 312 HOH HT 1 4.17000000e-01 1.00800 0
- 1473 WATR 313 HOH OT 70 -8.34000000e-01 15.9994 0
- 1474 WATR 313 HOH HT 1 4.17000000e-01 1.00800 0
- 1475 WATR 313 HOH HT 1 4.17000000e-01 1.00800 0
- 1476 WATR 314 HOH OT 70 -8.34000000e-01 15.9994 0
- 1477 WATR 314 HOH HT 1 4.17000000e-01 1.00800 0
- 1478 WATR 314 HOH HT 1 4.17000000e-01 1.00800 0
- 1479 WATR 315 HOH OT 70 -8.34000000e-01 15.9994 0
- 1480 WATR 315 HOH HT 1 4.17000000e-01 1.00800 0
- 1481 WATR 315 HOH HT 1 4.17000000e-01 1.00800 0
- 1482 WATR 316 HOH OT 70 -8.34000000e-01 15.9994 0
- 1483 WATR 316 HOH HT 1 4.17000000e-01 1.00800 0
- 1484 WATR 316 HOH HT 1 4.17000000e-01 1.00800 0
- 1485 WATR 317 HOH OT 70 -8.34000000e-01 15.9994 0
- 1486 WATR 317 HOH HT 1 4.17000000e-01 1.00800 0
- 1487 WATR 317 HOH HT 1 4.17000000e-01 1.00800 0
- 1488 WATR 318 HOH OT 70 -8.34000000e-01 15.9994 0
- 1489 WATR 318 HOH HT 1 4.17000000e-01 1.00800 0
- 1490 WATR 318 HOH HT 1 4.17000000e-01 1.00800 0
- 1491 WATR 319 HOH OT 70 -8.34000000e-01 15.9994 0
- 1492 WATR 319 HOH HT 1 4.17000000e-01 1.00800 0
- 1493 WATR 319 HOH HT 1 4.17000000e-01 1.00800 0
- 1494 WATR 320 HOH OT 70 -8.34000000e-01 15.9994 0
- 1495 WATR 320 HOH HT 1 4.17000000e-01 1.00800 0
- 1496 WATR 320 HOH HT 1 4.17000000e-01 1.00800 0
- 1497 WATR 321 HOH OT 70 -8.34000000e-01 15.9994 0
- 1498 WATR 321 HOH HT 1 4.17000000e-01 1.00800 0
- 1499 WATR 321 HOH HT 1 4.17000000e-01 1.00800 0
- 1500 WATR 322 HOH OT 70 -8.34000000e-01 15.9994 0
- 1501 WATR 322 HOH HT 1 4.17000000e-01 1.00800 0
- 1502 WATR 322 HOH HT 1 4.17000000e-01 1.00800 0
- 1503 WATR 323 HOH OT 70 -8.34000000e-01 15.9994 0
- 1504 WATR 323 HOH HT 1 4.17000000e-01 1.00800 0
- 1505 WATR 323 HOH HT 1 4.17000000e-01 1.00800 0
- 1506 WATR 324 HOH OT 70 -8.34000000e-01 15.9994 0
- 1507 WATR 324 HOH HT 1 4.17000000e-01 1.00800 0
- 1508 WATR 324 HOH HT 1 4.17000000e-01 1.00800 0
- 1509 WATR 325 HOH OT 70 -8.34000000e-01 15.9994 0
- 1510 WATR 325 HOH HT 1 4.17000000e-01 1.00800 0
- 1511 WATR 325 HOH HT 1 4.17000000e-01 1.00800 0
- 1512 WATR 326 HOH OT 70 -8.34000000e-01 15.9994 0
- 1513 WATR 326 HOH HT 1 4.17000000e-01 1.00800 0
- 1514 WATR 326 HOH HT 1 4.17000000e-01 1.00800 0
- 1515 WATR 327 HOH OT 70 -8.34000000e-01 15.9994 0
- 1516 WATR 327 HOH HT 1 4.17000000e-01 1.00800 0
- 1517 WATR 327 HOH HT 1 4.17000000e-01 1.00800 0
- 1518 WATR 328 HOH OT 70 -8.34000000e-01 15.9994 0
- 1519 WATR 328 HOH HT 1 4.17000000e-01 1.00800 0
- 1520 WATR 328 HOH HT 1 4.17000000e-01 1.00800 0
- 1521 WATR 329 HOH OT 70 -8.34000000e-01 15.9994 0
- 1522 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0
- 1523 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0
- 1524 WATR 330 HOH OT 70 -8.34000000e-01 15.9994 0
- 1525 WATR 330 HOH HT 1 4.17000000e-01 1.00800 0
- 1526 WATR 330 HOH HT 1 4.17000000e-01 1.00800 0
- 1527 WATR 331 HOH OT 70 -8.34000000e-01 15.9994 0
- 1528 WATR 331 HOH HT 1 4.17000000e-01 1.00800 0
- 1529 WATR 331 HOH HT 1 4.17000000e-01 1.00800 0
- 1530 WATR 332 HOH OT 70 -8.34000000e-01 15.9994 0
- 1531 WATR 332 HOH HT 1 4.17000000e-01 1.00800 0
- 1532 WATR 332 HOH HT 1 4.17000000e-01 1.00800 0
- 1533 WATR 333 HOH OT 70 -8.34000000e-01 15.9994 0
- 1534 WATR 333 HOH HT 1 4.17000000e-01 1.00800 0
- 1535 WATR 333 HOH HT 1 4.17000000e-01 1.00800 0
- 1536 WATR 334 HOH OT 70 -8.34000000e-01 15.9994 0
- 1537 WATR 334 HOH HT 1 4.17000000e-01 1.00800 0
- 1538 WATR 334 HOH HT 1 4.17000000e-01 1.00800 0
- 1539 WATR 335 HOH OT 70 -8.34000000e-01 15.9994 0
- 1540 WATR 335 HOH HT 1 4.17000000e-01 1.00800 0
- 1541 WATR 335 HOH HT 1 4.17000000e-01 1.00800 0
- 1542 WATR 336 HOH OT 70 -8.34000000e-01 15.9994 0
- 1543 WATR 336 HOH HT 1 4.17000000e-01 1.00800 0
- 1544 WATR 336 HOH HT 1 4.17000000e-01 1.00800 0
- 1545 WATR 337 HOH OT 70 -8.34000000e-01 15.9994 0
- 1546 WATR 337 HOH HT 1 4.17000000e-01 1.00800 0
- 1547 WATR 337 HOH HT 1 4.17000000e-01 1.00800 0
- 1548 WATR 338 HOH OT 70 -8.34000000e-01 15.9994 0
- 1549 WATR 338 HOH HT 1 4.17000000e-01 1.00800 0
- 1550 WATR 338 HOH HT 1 4.17000000e-01 1.00800 0
- 1551 WATR 339 HOH OT 70 -8.34000000e-01 15.9994 0
- 1552 WATR 339 HOH HT 1 4.17000000e-01 1.00800 0
- 1553 WATR 339 HOH HT 1 4.17000000e-01 1.00800 0
- 1554 WATR 340 HOH OT 70 -8.34000000e-01 15.9994 0
- 1555 WATR 340 HOH HT 1 4.17000000e-01 1.00800 0
- 1556 WATR 340 HOH HT 1 4.17000000e-01 1.00800 0
- 1557 WATR 341 HOH OT 70 -8.34000000e-01 15.9994 0
- 1558 WATR 341 HOH HT 1 4.17000000e-01 1.00800 0
- 1559 WATR 341 HOH HT 1 4.17000000e-01 1.00800 0
- 1560 WATR 342 HOH OT 70 -8.34000000e-01 15.9994 0
- 1561 WATR 342 HOH HT 1 4.17000000e-01 1.00800 0
- 1562 WATR 342 HOH HT 1 4.17000000e-01 1.00800 0
- 1563 WATR 343 HOH OT 70 -8.34000000e-01 15.9994 0
- 1564 WATR 343 HOH HT 1 4.17000000e-01 1.00800 0
- 1565 WATR 343 HOH HT 1 4.17000000e-01 1.00800 0
- 1566 WATR 344 HOH OT 70 -8.34000000e-01 15.9994 0
- 1567 WATR 344 HOH HT 1 4.17000000e-01 1.00800 0
- 1568 WATR 344 HOH HT 1 4.17000000e-01 1.00800 0
- 1569 WATR 345 HOH OT 70 -8.34000000e-01 15.9994 0
- 1570 WATR 345 HOH HT 1 4.17000000e-01 1.00800 0
- 1571 WATR 345 HOH HT 1 4.17000000e-01 1.00800 0
- 1572 WATR 346 HOH OT 70 -8.34000000e-01 15.9994 0
- 1573 WATR 346 HOH HT 1 4.17000000e-01 1.00800 0
- 1574 WATR 346 HOH HT 1 4.17000000e-01 1.00800 0
- 1575 WATR 347 HOH OT 70 -8.34000000e-01 15.9994 0
- 1576 WATR 347 HOH HT 1 4.17000000e-01 1.00800 0
- 1577 WATR 347 HOH HT 1 4.17000000e-01 1.00800 0
- 1578 WATR 348 HOH OT 70 -8.34000000e-01 15.9994 0
- 1579 WATR 348 HOH HT 1 4.17000000e-01 1.00800 0
- 1580 WATR 348 HOH HT 1 4.17000000e-01 1.00800 0
- 1581 WATR 349 HOH OT 70 -8.34000000e-01 15.9994 0
- 1582 WATR 349 HOH HT 1 4.17000000e-01 1.00800 0
- 1583 WATR 349 HOH HT 1 4.17000000e-01 1.00800 0
- 1584 WATR 350 HOH OT 70 -8.34000000e-01 15.9994 0
- 1585 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0
- 1586 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0
- 1587 WATR 351 HOH OT 70 -8.34000000e-01 15.9994 0
- 1588 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0
- 1589 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0
- 1590 WATR 352 HOH OT 70 -8.34000000e-01 15.9994 0
- 1591 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0
- 1592 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0
- 1593 WATR 353 HOH OT 70 -8.34000000e-01 15.9994 0
- 1594 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0
- 1595 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0
- 1596 WATR 354 HOH OT 70 -8.34000000e-01 15.9994 0
- 1597 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0
- 1598 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0
- 1599 WATR 355 HOH OT 70 -8.34000000e-01 15.9994 0
- 1600 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0
- 1601 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0
- 1602 WATR 356 HOH OT 70 -8.34000000e-01 15.9994 0
- 1603 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0
- 1604 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0
- 1605 WATR 357 HOH OT 70 -8.34000000e-01 15.9994 0
- 1606 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0
- 1607 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0
- 1608 WATR 358 HOH OT 70 -8.34000000e-01 15.9994 0
- 1609 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0
- 1610 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0
- 1611 WATR 359 HOH OT 70 -8.34000000e-01 15.9994 0
- 1612 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0
- 1613 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0
- 1614 WATR 360 HOH OT 70 -8.34000000e-01 15.9994 0
- 1615 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0
- 1616 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0
- 1617 WATR 361 HOH OT 70 -8.34000000e-01 15.9994 0
- 1618 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0
- 1619 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0
- 1620 WATR 362 HOH OT 70 -8.34000000e-01 15.9994 0
- 1621 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0
- 1622 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0
- 1623 WATR 363 HOH OT 70 -8.34000000e-01 15.9994 0
- 1624 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0
- 1625 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0
- 1626 WATR 364 HOH OT 70 -8.34000000e-01 15.9994 0
- 1627 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0
- 1628 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0
- 1629 WATR 365 HOH OT 70 -8.34000000e-01 15.9994 0
- 1630 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0
- 1631 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0
- 1632 WATR 366 HOH OT 70 -8.34000000e-01 15.9994 0
- 1633 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0
- 1634 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0
- 1635 WATR 367 HOH OT 70 -8.34000000e-01 15.9994 0
- 1636 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0
- 1637 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0
- 1638 WATR 368 HOH OT 70 -8.34000000e-01 15.9994 0
- 1639 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0
- 1640 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0
- 1641 WATR 369 HOH OT 70 -8.34000000e-01 15.9994 0
- 1642 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0
- 1643 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0
- 1644 WATR 370 HOH OT 70 -8.34000000e-01 15.9994 0
- 1645 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0
- 1646 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0
- 1647 WATR 371 HOH OT 70 -8.34000000e-01 15.9994 0
- 1648 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0
- 1649 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0
- 1650 WATR 372 HOH OT 70 -8.34000000e-01 15.9994 0
- 1651 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0
- 1652 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0
- 1653 WATR 373 HOH OT 70 -8.34000000e-01 15.9994 0
- 1654 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0
- 1655 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0
- 1656 WATR 374 HOH OT 70 -8.34000000e-01 15.9994 0
- 1657 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0
- 1658 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0
- 1659 WATR 375 HOH OT 70 -8.34000000e-01 15.9994 0
- 1660 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0
- 1661 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0
- 1662 WATR 376 HOH OT 70 -8.34000000e-01 15.9994 0
- 1663 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0
- 1664 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0
- 1665 WATR 377 HOH OT 70 -8.34000000e-01 15.9994 0
- 1666 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0
- 1667 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0
- 1668 WATR 378 HOH OT 70 -8.34000000e-01 15.9994 0
- 1669 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0
- 1670 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0
- 1671 WATR 379 HOH OT 70 -8.34000000e-01 15.9994 0
- 1672 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0
- 1673 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0
- 1674 WATR 380 HOH OT 70 -8.34000000e-01 15.9994 0
- 1675 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0
- 1676 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0
- 1677 WATR 381 HOH OT 70 -8.34000000e-01 15.9994 0
- 1678 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0
- 1679 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0
- 1680 WATR 382 HOH OT 70 -8.34000000e-01 15.9994 0
- 1681 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0
- 1682 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0
- 1683 WATR 383 HOH OT 70 -8.34000000e-01 15.9994 0
- 1684 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0
- 1685 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0
- 1686 WATR 384 HOH OT 70 -8.34000000e-01 15.9994 0
- 1687 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0
- 1688 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0
- 1689 WATR 385 HOH OT 70 -8.34000000e-01 15.9994 0
- 1690 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0
- 1691 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0
- 1692 WATR 386 HOH OT 70 -8.34000000e-01 15.9994 0
- 1693 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0
- 1694 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0
- 1695 WATR 387 HOH OT 70 -8.34000000e-01 15.9994 0
- 1696 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0
- 1697 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0
- 1698 WATR 388 HOH OT 70 -8.34000000e-01 15.9994 0
- 1699 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0
- 1700 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0
- 1701 WATR 389 HOH OT 70 -8.34000000e-01 15.9994 0
- 1702 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0
- 1703 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0
- 1704 WATR 390 HOH OT 70 -8.34000000e-01 15.9994 0
- 1705 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0
- 1706 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0
- 1707 WATR 391 HOH OT 70 -8.34000000e-01 15.9994 0
- 1708 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0
- 1709 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0
- 1710 WATR 392 HOH OT 70 -8.34000000e-01 15.9994 0
- 1711 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0
- 1712 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0
- 1713 WATR 393 HOH OT 70 -8.34000000e-01 15.9994 0
- 1714 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0
- 1715 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0
- 1716 WATR 394 HOH OT 70 -8.34000000e-01 15.9994 0
- 1717 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0
- 1718 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0
- 1719 WATR 395 HOH OT 70 -8.34000000e-01 15.9994 0
- 1720 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0
- 1721 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0
- 1722 SALT 10 ION SOD 90 1.00000000e+00 22.9897 0
- 1723 WATR 396 HOH OT 70 -8.34000000e-01 15.9994 0
- 1724 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0
- 1725 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0
- 1726 WATR 397 HOH OT 70 -8.34000000e-01 15.9994 0
- 1727 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0
- 1728 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0
- 1729 WATR 398 HOH OT 70 -8.34000000e-01 15.9994 0
- 1730 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0
- 1731 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0
- 1732 WATR 399 HOH OT 70 -8.34000000e-01 15.9994 0
- 1733 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0
- 1734 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0
- 1735 WATR 400 HOH OT 70 -8.34000000e-01 15.9994 0
- 1736 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0
- 1737 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0
- 1738 WATR 401 HOH OT 70 -8.34000000e-01 15.9994 0
- 1739 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0
- 1740 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0
- 1741 WATR 402 HOH OT 70 -8.34000000e-01 15.9994 0
- 1742 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0
- 1743 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0
- 1744 WATR 403 HOH OT 70 -8.34000000e-01 15.9994 0
- 1745 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0
- 1746 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0
- 1747 WATR 404 HOH OT 70 -8.34000000e-01 15.9994 0
- 1748 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0
- 1749 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0
- 1750 WATR 405 HOH OT 70 -8.34000000e-01 15.9994 0
- 1751 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0
- 1752 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0
- 1753 WATR 406 HOH OT 70 -8.34000000e-01 15.9994 0
- 1754 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0
- 1755 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0
- 1756 WATR 407 HOH OT 70 -8.34000000e-01 15.9994 0
- 1757 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0
- 1758 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0
- 1759 WATR 408 HOH OT 70 -8.34000000e-01 15.9994 0
- 1760 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0
- 1761 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0
- 1762 WATR 409 HOH OT 70 -8.34000000e-01 15.9994 0
- 1763 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0
- 1764 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0
- 1765 WATR 410 HOH OT 70 -8.34000000e-01 15.9994 0
- 1766 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0
- 1767 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0
- 1768 WATR 411 HOH OT 70 -8.34000000e-01 15.9994 0
- 1769 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0
- 1770 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0
- 1771 WATR 412 HOH OT 70 -8.34000000e-01 15.9994 0
- 1772 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0
- 1773 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0
- 1774 WATR 413 HOH OT 70 -8.34000000e-01 15.9994 0
- 1775 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0
- 1776 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0
- 1777 WATR 414 HOH OT 70 -8.34000000e-01 15.9994 0
- 1778 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0
- 1779 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0
- 1780 WATR 415 HOH OT 70 -8.34000000e-01 15.9994 0
- 1781 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0
- 1782 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0
- 1783 SALT 11 ION SOD 90 1.00000000e+00 22.9897 0
- 1784 WATR 416 HOH OT 70 -8.34000000e-01 15.9994 0
- 1785 WATR 416 HOH HT 1 4.17000000e-01 1.00800 0
+ 1427 WATR 297 HOH HT 1 4.17000000e-01 1.00800 0
+ 1428 SALT 10 ION SOD 90 1.00000000e+00 22.9897 0
+ 1429 SALT 11 ION SOD 90 1.00000000e+00 22.9897 0
+ 1430 WATR 298 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1431 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0
+ 1432 WATR 298 HOH HT 1 4.17000000e-01 1.00800 0
+ 1433 WATR 299 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1435 WATR 299 HOH HT 1 4.17000000e-01 1.00800 0
+ 1436 WATR 300 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1438 WATR 300 HOH HT 1 4.17000000e-01 1.00800 0
+ 1439 WATR 301 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1441 WATR 301 HOH HT 1 4.17000000e-01 1.00800 0
+ 1442 WATR 302 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1444 WATR 302 HOH HT 1 4.17000000e-01 1.00800 0
+ 1445 WATR 303 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1447 WATR 303 HOH HT 1 4.17000000e-01 1.00800 0
+ 1448 WATR 304 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1450 WATR 304 HOH HT 1 4.17000000e-01 1.00800 0
+ 1451 WATR 305 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1453 WATR 305 HOH HT 1 4.17000000e-01 1.00800 0
+ 1454 WATR 306 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1456 WATR 306 HOH HT 1 4.17000000e-01 1.00800 0
+ 1457 WATR 307 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1459 WATR 307 HOH HT 1 4.17000000e-01 1.00800 0
+ 1460 WATR 308 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1462 WATR 308 HOH HT 1 4.17000000e-01 1.00800 0
+ 1463 WATR 309 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1465 WATR 309 HOH HT 1 4.17000000e-01 1.00800 0
+ 1466 WATR 310 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1468 WATR 310 HOH HT 1 4.17000000e-01 1.00800 0
+ 1469 WATR 311 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1471 WATR 311 HOH HT 1 4.17000000e-01 1.00800 0
+ 1472 WATR 312 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1474 WATR 312 HOH HT 1 4.17000000e-01 1.00800 0
+ 1475 WATR 313 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1477 WATR 313 HOH HT 1 4.17000000e-01 1.00800 0
+ 1478 WATR 314 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1480 WATR 314 HOH HT 1 4.17000000e-01 1.00800 0
+ 1481 WATR 315 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1483 WATR 315 HOH HT 1 4.17000000e-01 1.00800 0
+ 1484 WATR 316 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1486 WATR 316 HOH HT 1 4.17000000e-01 1.00800 0
+ 1487 WATR 317 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1489 WATR 317 HOH HT 1 4.17000000e-01 1.00800 0
+ 1490 WATR 318 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1492 WATR 318 HOH HT 1 4.17000000e-01 1.00800 0
+ 1493 WATR 319 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1495 WATR 319 HOH HT 1 4.17000000e-01 1.00800 0
+ 1496 WATR 320 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1498 WATR 320 HOH HT 1 4.17000000e-01 1.00800 0
+ 1499 WATR 321 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1501 WATR 321 HOH HT 1 4.17000000e-01 1.00800 0
+ 1502 WATR 322 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1504 WATR 322 HOH HT 1 4.17000000e-01 1.00800 0
+ 1505 WATR 323 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1507 WATR 323 HOH HT 1 4.17000000e-01 1.00800 0
+ 1508 WATR 324 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1510 WATR 324 HOH HT 1 4.17000000e-01 1.00800 0
+ 1511 WATR 325 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1513 WATR 325 HOH HT 1 4.17000000e-01 1.00800 0
+ 1514 WATR 326 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1516 WATR 326 HOH HT 1 4.17000000e-01 1.00800 0
+ 1517 WATR 327 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1519 WATR 327 HOH HT 1 4.17000000e-01 1.00800 0
+ 1520 WATR 328 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1522 WATR 328 HOH HT 1 4.17000000e-01 1.00800 0
+ 1523 SALT 12 ION SOD 90 1.00000000e+00 22.9897 0
+ 1524 WATR 329 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1525 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0
+ 1526 WATR 329 HOH HT 1 4.17000000e-01 1.00800 0
+ 1527 WATR 330 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1529 WATR 330 HOH HT 1 4.17000000e-01 1.00800 0
+ 1530 WATR 331 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1532 WATR 331 HOH HT 1 4.17000000e-01 1.00800 0
+ 1533 WATR 332 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1535 WATR 332 HOH HT 1 4.17000000e-01 1.00800 0
+ 1536 WATR 333 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1538 WATR 333 HOH HT 1 4.17000000e-01 1.00800 0
+ 1539 WATR 334 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1541 WATR 334 HOH HT 1 4.17000000e-01 1.00800 0
+ 1542 WATR 335 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1544 WATR 335 HOH HT 1 4.17000000e-01 1.00800 0
+ 1545 WATR 336 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1547 WATR 336 HOH HT 1 4.17000000e-01 1.00800 0
+ 1548 WATR 337 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1550 WATR 337 HOH HT 1 4.17000000e-01 1.00800 0
+ 1551 WATR 338 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1553 WATR 338 HOH HT 1 4.17000000e-01 1.00800 0
+ 1554 WATR 339 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1556 WATR 339 HOH HT 1 4.17000000e-01 1.00800 0
+ 1557 WATR 340 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1559 WATR 340 HOH HT 1 4.17000000e-01 1.00800 0
+ 1560 WATR 341 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1562 WATR 341 HOH HT 1 4.17000000e-01 1.00800 0
+ 1563 WATR 342 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1566 WATR 343 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1568 WATR 343 HOH HT 1 4.17000000e-01 1.00800 0
+ 1569 WATR 344 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1571 WATR 344 HOH HT 1 4.17000000e-01 1.00800 0
+ 1572 WATR 345 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1574 WATR 345 HOH HT 1 4.17000000e-01 1.00800 0
+ 1575 WATR 346 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1577 WATR 346 HOH HT 1 4.17000000e-01 1.00800 0
+ 1578 WATR 347 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1580 WATR 347 HOH HT 1 4.17000000e-01 1.00800 0
+ 1581 WATR 348 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1583 WATR 348 HOH HT 1 4.17000000e-01 1.00800 0
+ 1584 WATR 349 HOH OT 70 -8.34000000e-01 15.9994 0
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+ 1587 WATR 350 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1588 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0
+ 1589 WATR 350 HOH HT 1 4.17000000e-01 1.00800 0
+ 1590 WATR 351 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1591 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0
+ 1592 WATR 351 HOH HT 1 4.17000000e-01 1.00800 0
+ 1593 WATR 352 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1594 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0
+ 1595 WATR 352 HOH HT 1 4.17000000e-01 1.00800 0
+ 1596 WATR 353 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1597 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0
+ 1598 WATR 353 HOH HT 1 4.17000000e-01 1.00800 0
+ 1599 WATR 354 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1600 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0
+ 1601 WATR 354 HOH HT 1 4.17000000e-01 1.00800 0
+ 1602 WATR 355 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1603 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0
+ 1604 WATR 355 HOH HT 1 4.17000000e-01 1.00800 0
+ 1605 WATR 356 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1606 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0
+ 1607 WATR 356 HOH HT 1 4.17000000e-01 1.00800 0
+ 1608 WATR 357 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1609 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0
+ 1610 WATR 357 HOH HT 1 4.17000000e-01 1.00800 0
+ 1611 WATR 358 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1612 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0
+ 1613 WATR 358 HOH HT 1 4.17000000e-01 1.00800 0
+ 1614 WATR 359 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1615 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0
+ 1616 WATR 359 HOH HT 1 4.17000000e-01 1.00800 0
+ 1617 WATR 360 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1618 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0
+ 1619 WATR 360 HOH HT 1 4.17000000e-01 1.00800 0
+ 1620 WATR 361 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1621 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0
+ 1622 WATR 361 HOH HT 1 4.17000000e-01 1.00800 0
+ 1623 WATR 362 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1624 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0
+ 1625 WATR 362 HOH HT 1 4.17000000e-01 1.00800 0
+ 1626 WATR 363 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1627 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0
+ 1628 WATR 363 HOH HT 1 4.17000000e-01 1.00800 0
+ 1629 WATR 364 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1630 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0
+ 1631 WATR 364 HOH HT 1 4.17000000e-01 1.00800 0
+ 1632 WATR 365 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1633 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0
+ 1634 WATR 365 HOH HT 1 4.17000000e-01 1.00800 0
+ 1635 WATR 366 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1636 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0
+ 1637 WATR 366 HOH HT 1 4.17000000e-01 1.00800 0
+ 1638 WATR 367 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1639 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0
+ 1640 WATR 367 HOH HT 1 4.17000000e-01 1.00800 0
+ 1641 WATR 368 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1642 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0
+ 1643 WATR 368 HOH HT 1 4.17000000e-01 1.00800 0
+ 1644 WATR 369 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1645 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0
+ 1646 WATR 369 HOH HT 1 4.17000000e-01 1.00800 0
+ 1647 WATR 370 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1648 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0
+ 1649 WATR 370 HOH HT 1 4.17000000e-01 1.00800 0
+ 1650 WATR 371 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1651 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0
+ 1652 WATR 371 HOH HT 1 4.17000000e-01 1.00800 0
+ 1653 WATR 372 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1654 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0
+ 1655 WATR 372 HOH HT 1 4.17000000e-01 1.00800 0
+ 1656 WATR 373 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1657 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0
+ 1658 WATR 373 HOH HT 1 4.17000000e-01 1.00800 0
+ 1659 WATR 374 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1660 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0
+ 1661 WATR 374 HOH HT 1 4.17000000e-01 1.00800 0
+ 1662 WATR 375 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1663 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0
+ 1664 WATR 375 HOH HT 1 4.17000000e-01 1.00800 0
+ 1665 WATR 376 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1666 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0
+ 1667 WATR 376 HOH HT 1 4.17000000e-01 1.00800 0
+ 1668 WATR 377 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1669 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0
+ 1670 WATR 377 HOH HT 1 4.17000000e-01 1.00800 0
+ 1671 WATR 378 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1672 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0
+ 1673 WATR 378 HOH HT 1 4.17000000e-01 1.00800 0
+ 1674 WATR 379 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1675 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0
+ 1676 WATR 379 HOH HT 1 4.17000000e-01 1.00800 0
+ 1677 WATR 380 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1678 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0
+ 1679 WATR 380 HOH HT 1 4.17000000e-01 1.00800 0
+ 1680 WATR 381 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1681 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0
+ 1682 WATR 381 HOH HT 1 4.17000000e-01 1.00800 0
+ 1683 WATR 382 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1684 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0
+ 1685 WATR 382 HOH HT 1 4.17000000e-01 1.00800 0
+ 1686 WATR 383 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1687 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0
+ 1688 WATR 383 HOH HT 1 4.17000000e-01 1.00800 0
+ 1689 WATR 384 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1690 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0
+ 1691 WATR 384 HOH HT 1 4.17000000e-01 1.00800 0
+ 1692 WATR 385 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1693 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0
+ 1694 WATR 385 HOH HT 1 4.17000000e-01 1.00800 0
+ 1695 WATR 386 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1696 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0
+ 1697 WATR 386 HOH HT 1 4.17000000e-01 1.00800 0
+ 1698 WATR 387 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1699 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0
+ 1700 WATR 387 HOH HT 1 4.17000000e-01 1.00800 0
+ 1701 WATR 388 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1702 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0
+ 1703 WATR 388 HOH HT 1 4.17000000e-01 1.00800 0
+ 1704 WATR 389 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1705 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0
+ 1706 WATR 389 HOH HT 1 4.17000000e-01 1.00800 0
+ 1707 WATR 390 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1708 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0
+ 1709 WATR 390 HOH HT 1 4.17000000e-01 1.00800 0
+ 1710 WATR 391 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1711 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0
+ 1712 WATR 391 HOH HT 1 4.17000000e-01 1.00800 0
+ 1713 WATR 392 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1714 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0
+ 1715 WATR 392 HOH HT 1 4.17000000e-01 1.00800 0
+ 1716 WATR 393 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1717 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0
+ 1718 WATR 393 HOH HT 1 4.17000000e-01 1.00800 0
+ 1719 WATR 394 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1720 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0
+ 1721 WATR 394 HOH HT 1 4.17000000e-01 1.00800 0
+ 1722 WATR 395 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1723 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0
+ 1724 WATR 395 HOH HT 1 4.17000000e-01 1.00800 0
+ 1725 WATR 396 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1726 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0
+ 1727 WATR 396 HOH HT 1 4.17000000e-01 1.00800 0
+ 1728 WATR 397 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1729 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0
+ 1730 WATR 397 HOH HT 1 4.17000000e-01 1.00800 0
+ 1731 WATR 398 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1732 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0
+ 1733 WATR 398 HOH HT 1 4.17000000e-01 1.00800 0
+ 1734 WATR 399 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1735 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0
+ 1736 WATR 399 HOH HT 1 4.17000000e-01 1.00800 0
+ 1737 WATR 400 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1738 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0
+ 1739 WATR 400 HOH HT 1 4.17000000e-01 1.00800 0
+ 1740 WATR 401 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1741 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0
+ 1742 WATR 401 HOH HT 1 4.17000000e-01 1.00800 0
+ 1743 WATR 402 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1744 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0
+ 1745 WATR 402 HOH HT 1 4.17000000e-01 1.00800 0
+ 1746 WATR 403 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1747 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0
+ 1748 WATR 403 HOH HT 1 4.17000000e-01 1.00800 0
+ 1749 WATR 404 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1750 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0
+ 1751 WATR 404 HOH HT 1 4.17000000e-01 1.00800 0
+ 1752 WATR 405 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1753 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0
+ 1754 WATR 405 HOH HT 1 4.17000000e-01 1.00800 0
+ 1755 WATR 406 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1756 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0
+ 1757 WATR 406 HOH HT 1 4.17000000e-01 1.00800 0
+ 1758 WATR 407 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1759 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0
+ 1760 WATR 407 HOH HT 1 4.17000000e-01 1.00800 0
+ 1761 WATR 408 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1762 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0
+ 1763 WATR 408 HOH HT 1 4.17000000e-01 1.00800 0
+ 1764 WATR 409 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1765 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0
+ 1766 WATR 409 HOH HT 1 4.17000000e-01 1.00800 0
+ 1767 WATR 410 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1768 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0
+ 1769 WATR 410 HOH HT 1 4.17000000e-01 1.00800 0
+ 1770 WATR 411 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1771 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0
+ 1772 WATR 411 HOH HT 1 4.17000000e-01 1.00800 0
+ 1773 WATR 412 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1774 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0
+ 1775 WATR 412 HOH HT 1 4.17000000e-01 1.00800 0
+ 1776 WATR 413 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1777 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0
+ 1778 WATR 413 HOH HT 1 4.17000000e-01 1.00800 0
+ 1779 WATR 414 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1780 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0
+ 1781 WATR 414 HOH HT 1 4.17000000e-01 1.00800 0
+ 1782 WATR 415 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1783 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0
+ 1784 WATR 415 HOH HT 1 4.17000000e-01 1.00800 0
+ 1785 WATR 416 HOH OT 70 -8.34000000e-01 15.9994 0
1786 WATR 416 HOH HT 1 4.17000000e-01 1.00800 0
- 1787 WATR 417 HOH OT 70 -8.34000000e-01 15.9994 0
- 1788 WATR 417 HOH HT 1 4.17000000e-01 1.00800 0
+ 1787 WATR 416 HOH HT 1 4.17000000e-01 1.00800 0
+ 1788 WATR 417 HOH OT 70 -8.34000000e-01 15.9994 0
1789 WATR 417 HOH HT 1 4.17000000e-01 1.00800 0
- 1790 WATR 418 HOH OT 70 -8.34000000e-01 15.9994 0
- 1791 WATR 418 HOH HT 1 4.17000000e-01 1.00800 0
+ 1790 WATR 417 HOH HT 1 4.17000000e-01 1.00800 0
+ 1791 WATR 418 HOH OT 70 -8.34000000e-01 15.9994 0
1792 WATR 418 HOH HT 1 4.17000000e-01 1.00800 0
- 1793 WATR 419 HOH OT 70 -8.34000000e-01 15.9994 0
- 1794 WATR 419 HOH HT 1 4.17000000e-01 1.00800 0
+ 1793 WATR 418 HOH HT 1 4.17000000e-01 1.00800 0
+ 1794 WATR 419 HOH OT 70 -8.34000000e-01 15.9994 0
1795 WATR 419 HOH HT 1 4.17000000e-01 1.00800 0
- 1796 WATR 420 HOH OT 70 -8.34000000e-01 15.9994 0
- 1797 WATR 420 HOH HT 1 4.17000000e-01 1.00800 0
+ 1796 WATR 419 HOH HT 1 4.17000000e-01 1.00800 0
+ 1797 WATR 420 HOH OT 70 -8.34000000e-01 15.9994 0
1798 WATR 420 HOH HT 1 4.17000000e-01 1.00800 0
- 1799 WATR 421 HOH OT 70 -8.34000000e-01 15.9994 0
- 1800 WATR 421 HOH HT 1 4.17000000e-01 1.00800 0
+ 1799 WATR 420 HOH HT 1 4.17000000e-01 1.00800 0
+ 1800 WATR 421 HOH OT 70 -8.34000000e-01 15.9994 0
1801 WATR 421 HOH HT 1 4.17000000e-01 1.00800 0
- 1802 WATR 422 HOH OT 70 -8.34000000e-01 15.9994 0
- 1803 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0
- 1804 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0
- 1805 WATR 423 HOH OT 70 -8.34000000e-01 15.9994 0
- 1806 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0
- 1807 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0
- 1808 WATR 424 HOH OT 70 -8.34000000e-01 15.9994 0
- 1809 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0
- 1810 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0
- 1811 SALT 12 ION SOD 90 1.00000000e+00 22.9897 0
- 1812 WATR 425 HOH OT 70 -8.34000000e-01 15.9994 0
- 1813 WATR 425 HOH HT 1 4.17000000e-01 1.00800 0
+ 1802 WATR 421 HOH HT 1 4.17000000e-01 1.00800 0
+ 1803 SALT 13 ION SOD 90 1.00000000e+00 22.9897 0
+ 1804 WATR 422 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1805 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0
+ 1806 WATR 422 HOH HT 1 4.17000000e-01 1.00800 0
+ 1807 WATR 423 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1808 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0
+ 1809 WATR 423 HOH HT 1 4.17000000e-01 1.00800 0
+ 1810 WATR 424 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1811 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0
+ 1812 WATR 424 HOH HT 1 4.17000000e-01 1.00800 0
+ 1813 WATR 425 HOH OT 70 -8.34000000e-01 15.9994 0
1814 WATR 425 HOH HT 1 4.17000000e-01 1.00800 0
- 1815 WATR 426 HOH OT 70 -8.34000000e-01 15.9994 0
- 1816 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0
- 1817 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0
- 1818 WATR 427 HOH OT 70 -8.34000000e-01 15.9994 0
- 1819 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0
- 1820 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0
- 1821 WATR 428 HOH OT 70 -8.34000000e-01 15.9994 0
- 1822 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0
- 1823 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0
- 1824 WATR 429 HOH OT 70 -8.34000000e-01 15.9994 0
- 1825 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0
- 1826 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0
- 1827 WATR 430 HOH OT 70 -8.34000000e-01 15.9994 0
- 1828 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0
- 1829 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0
- 1830 WATR 431 HOH OT 70 -8.34000000e-01 15.9994 0
- 1831 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0
- 1832 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0
- 1833 WATR 432 HOH OT 70 -8.34000000e-01 15.9994 0
- 1834 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0
- 1835 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0
- 1836 WATR 433 HOH OT 70 -8.34000000e-01 15.9994 0
- 1837 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0
- 1838 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0
- 1839 WATR 434 HOH OT 70 -8.34000000e-01 15.9994 0
- 1840 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0
- 1841 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0
- 1842 WATR 435 HOH OT 70 -8.34000000e-01 15.9994 0
- 1843 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0
- 1844 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0
- 1845 SALT 13 ION SOD 90 1.00000000e+00 22.9897 0
- 1846 WATR 436 HOH OT 70 -8.34000000e-01 15.9994 0
- 1847 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0
- 1848 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0
- 1849 WATR 437 HOH OT 70 -8.34000000e-01 15.9994 0
- 1850 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0
- 1851 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0
- 1852 WATR 438 HOH OT 70 -8.34000000e-01 15.9994 0
- 1853 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0
- 1854 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0
- 1855 WATR 439 HOH OT 70 -8.34000000e-01 15.9994 0
- 1856 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0
- 1857 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0
- 1858 WATR 440 HOH OT 70 -8.34000000e-01 15.9994 0
- 1859 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0
- 1860 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0
- 1861 WATR 441 HOH OT 70 -8.34000000e-01 15.9994 0
- 1862 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0
- 1863 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0
- 1864 WATR 442 HOH OT 70 -8.34000000e-01 15.9994 0
- 1865 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0
- 1866 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0
- 1867 WATR 443 HOH OT 70 -8.34000000e-01 15.9994 0
- 1868 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0
- 1869 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0
- 1870 WATR 444 HOH OT 70 -8.34000000e-01 15.9994 0
- 1871 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0
- 1872 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0
- 1873 WATR 445 HOH OT 70 -8.34000000e-01 15.9994 0
- 1874 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0
- 1875 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0
- 1876 WATR 446 HOH OT 70 -8.34000000e-01 15.9994 0
- 1877 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0
- 1878 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0
- 1879 WATR 447 HOH OT 70 -8.34000000e-01 15.9994 0
- 1880 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0
- 1881 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0
- 1882 WATR 448 HOH OT 70 -8.34000000e-01 15.9994 0
- 1883 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0
- 1884 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0
- 1885 WATR 449 HOH OT 70 -8.34000000e-01 15.9994 0
- 1886 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0
- 1887 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0
- 1888 WATR 450 HOH OT 70 -8.34000000e-01 15.9994 0
- 1889 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0
- 1890 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0
- 1891 WATR 451 HOH OT 70 -8.34000000e-01 15.9994 0
- 1892 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0
- 1893 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0
- 1894 WATR 452 HOH OT 70 -8.34000000e-01 15.9994 0
- 1895 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0
- 1896 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0
- 1897 WATR 453 HOH OT 70 -8.34000000e-01 15.9994 0
- 1898 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0
- 1899 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0
- 1900 WATR 454 HOH OT 70 -8.34000000e-01 15.9994 0
- 1901 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0
- 1902 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0
- 1903 WATR 455 HOH OT 70 -8.34000000e-01 15.9994 0
- 1904 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0
- 1905 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0
- 1906 WATR 456 HOH OT 70 -8.34000000e-01 15.9994 0
- 1907 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0
- 1908 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0
- 1909 WATR 457 HOH OT 70 -8.34000000e-01 15.9994 0
- 1910 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0
- 1911 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0
- 1912 WATR 458 HOH OT 70 -8.34000000e-01 15.9994 0
- 1913 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0
- 1914 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0
- 1915 SALT 14 ION SOD 90 1.00000000e+00 22.9897 0
- 1916 WATR 459 HOH OT 70 -8.34000000e-01 15.9994 0
- 1917 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0
- 1918 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0
- 1919 WATR 460 HOH OT 70 -8.34000000e-01 15.9994 0
- 1920 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0
- 1921 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0
- 1922 WATR 461 HOH OT 70 -8.34000000e-01 15.9994 0
- 1923 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0
- 1924 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0
- 1925 WATR 462 HOH OT 70 -8.34000000e-01 15.9994 0
- 1926 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0
- 1927 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0
- 1928 WATR 463 HOH OT 70 -8.34000000e-01 15.9994 0
- 1929 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0
- 1930 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0
- 1931 WATR 464 HOH OT 70 -8.34000000e-01 15.9994 0
- 1932 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0
- 1933 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0
- 1934 SALT 15 ION SOD 90 1.00000000e+00 22.9897 0
- 1935 WATR 465 HOH OT 70 -8.34000000e-01 15.9994 0
- 1936 WATR 465 HOH HT 1 4.17000000e-01 1.00800 0
+ 1815 WATR 425 HOH HT 1 4.17000000e-01 1.00800 0
+ 1816 SALT 14 ION SOD 90 1.00000000e+00 22.9897 0
+ 1817 WATR 426 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1818 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0
+ 1819 WATR 426 HOH HT 1 4.17000000e-01 1.00800 0
+ 1820 WATR 427 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1821 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0
+ 1822 WATR 427 HOH HT 1 4.17000000e-01 1.00800 0
+ 1823 WATR 428 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1824 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0
+ 1825 WATR 428 HOH HT 1 4.17000000e-01 1.00800 0
+ 1826 SALT 15 ION SOD 90 1.00000000e+00 22.9897 0
+ 1827 WATR 429 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1828 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0
+ 1829 WATR 429 HOH HT 1 4.17000000e-01 1.00800 0
+ 1830 WATR 430 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1831 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0
+ 1832 WATR 430 HOH HT 1 4.17000000e-01 1.00800 0
+ 1833 WATR 431 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1834 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0
+ 1835 WATR 431 HOH HT 1 4.17000000e-01 1.00800 0
+ 1836 WATR 432 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1837 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0
+ 1838 WATR 432 HOH HT 1 4.17000000e-01 1.00800 0
+ 1839 WATR 433 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1840 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0
+ 1841 WATR 433 HOH HT 1 4.17000000e-01 1.00800 0
+ 1842 WATR 434 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1843 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0
+ 1844 WATR 434 HOH HT 1 4.17000000e-01 1.00800 0
+ 1845 WATR 435 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1846 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0
+ 1847 WATR 435 HOH HT 1 4.17000000e-01 1.00800 0
+ 1848 WATR 436 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1849 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0
+ 1850 WATR 436 HOH HT 1 4.17000000e-01 1.00800 0
+ 1851 WATR 437 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1852 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0
+ 1853 WATR 437 HOH HT 1 4.17000000e-01 1.00800 0
+ 1854 SALT 16 ION SOD 90 1.00000000e+00 22.9897 0
+ 1855 WATR 438 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1856 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0
+ 1857 WATR 438 HOH HT 1 4.17000000e-01 1.00800 0
+ 1858 WATR 439 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1859 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0
+ 1860 WATR 439 HOH HT 1 4.17000000e-01 1.00800 0
+ 1861 WATR 440 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1862 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0
+ 1863 WATR 440 HOH HT 1 4.17000000e-01 1.00800 0
+ 1864 WATR 441 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1865 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0
+ 1866 WATR 441 HOH HT 1 4.17000000e-01 1.00800 0
+ 1867 WATR 442 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1868 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0
+ 1869 WATR 442 HOH HT 1 4.17000000e-01 1.00800 0
+ 1870 WATR 443 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1871 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0
+ 1872 WATR 443 HOH HT 1 4.17000000e-01 1.00800 0
+ 1873 WATR 444 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1874 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0
+ 1875 WATR 444 HOH HT 1 4.17000000e-01 1.00800 0
+ 1876 WATR 445 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1877 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0
+ 1878 WATR 445 HOH HT 1 4.17000000e-01 1.00800 0
+ 1879 WATR 446 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1880 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0
+ 1881 WATR 446 HOH HT 1 4.17000000e-01 1.00800 0
+ 1882 WATR 447 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1883 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0
+ 1884 WATR 447 HOH HT 1 4.17000000e-01 1.00800 0
+ 1885 WATR 448 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1886 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0
+ 1887 WATR 448 HOH HT 1 4.17000000e-01 1.00800 0
+ 1888 WATR 449 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1889 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0
+ 1890 WATR 449 HOH HT 1 4.17000000e-01 1.00800 0
+ 1891 WATR 450 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1892 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0
+ 1893 WATR 450 HOH HT 1 4.17000000e-01 1.00800 0
+ 1894 WATR 451 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1895 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0
+ 1896 WATR 451 HOH HT 1 4.17000000e-01 1.00800 0
+ 1897 WATR 452 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1898 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0
+ 1899 WATR 452 HOH HT 1 4.17000000e-01 1.00800 0
+ 1900 WATR 453 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1901 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0
+ 1902 WATR 453 HOH HT 1 4.17000000e-01 1.00800 0
+ 1903 WATR 454 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1904 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0
+ 1905 WATR 454 HOH HT 1 4.17000000e-01 1.00800 0
+ 1906 WATR 455 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1907 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0
+ 1908 WATR 455 HOH HT 1 4.17000000e-01 1.00800 0
+ 1909 WATR 456 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1910 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0
+ 1911 WATR 456 HOH HT 1 4.17000000e-01 1.00800 0
+ 1912 WATR 457 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1913 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0
+ 1914 WATR 457 HOH HT 1 4.17000000e-01 1.00800 0
+ 1915 WATR 458 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1916 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0
+ 1917 WATR 458 HOH HT 1 4.17000000e-01 1.00800 0
+ 1918 WATR 459 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1919 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0
+ 1920 WATR 459 HOH HT 1 4.17000000e-01 1.00800 0
+ 1921 WATR 460 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1922 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0
+ 1923 WATR 460 HOH HT 1 4.17000000e-01 1.00800 0
+ 1924 WATR 461 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1925 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0
+ 1926 WATR 461 HOH HT 1 4.17000000e-01 1.00800 0
+ 1927 WATR 462 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1928 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0
+ 1929 WATR 462 HOH HT 1 4.17000000e-01 1.00800 0
+ 1930 WATR 463 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1931 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0
+ 1932 WATR 463 HOH HT 1 4.17000000e-01 1.00800 0
+ 1933 WATR 464 HOH OT 70 -8.34000000e-01 15.9994 0
+ 1934 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0
+ 1935 WATR 464 HOH HT 1 4.17000000e-01 1.00800 0
+ 1936 WATR 465 HOH OT 70 -8.34000000e-01 15.9994 0
1937 WATR 465 HOH HT 1 4.17000000e-01 1.00800 0
- 1938 WATR 466 HOH OT 70 -8.34000000e-01 15.9994 0
- 1939 WATR 466 HOH HT 1 4.17000000e-01 1.00800 0
+ 1938 WATR 465 HOH HT 1 4.17000000e-01 1.00800 0
+ 1939 WATR 466 HOH OT 70 -8.34000000e-01 15.9994 0
1940 WATR 466 HOH HT 1 4.17000000e-01 1.00800 0
- 1941 WATR 467 HOH OT 70 -8.34000000e-01 15.9994 0
- 1942 WATR 467 HOH HT 1 4.17000000e-01 1.00800 0
+ 1941 WATR 466 HOH HT 1 4.17000000e-01 1.00800 0
+ 1942 WATR 467 HOH OT 70 -8.34000000e-01 15.9994 0
1943 WATR 467 HOH HT 1 4.17000000e-01 1.00800 0
- 1944 WATR 468 HOH OT 70 -8.34000000e-01 15.9994 0
- 1945 WATR 468 HOH HT 1 4.17000000e-01 1.00800 0
+ 1944 WATR 467 HOH HT 1 4.17000000e-01 1.00800 0
+ 1945 WATR 468 HOH OT 70 -8.34000000e-01 15.9994 0
1946 WATR 468 HOH HT 1 4.17000000e-01 1.00800 0
- 1947 WATR 469 HOH OT 70 -8.34000000e-01 15.9994 0
- 1948 WATR 469 HOH HT 1 4.17000000e-01 1.00800 0
+ 1947 WATR 468 HOH HT 1 4.17000000e-01 1.00800 0
+ 1948 WATR 469 HOH OT 70 -8.34000000e-01 15.9994 0
1949 WATR 469 HOH HT 1 4.17000000e-01 1.00800 0
- 1950 WATR 470 HOH OT 70 -8.34000000e-01 15.9994 0
- 1951 WATR 470 HOH HT 1 4.17000000e-01 1.00800 0
+ 1950 WATR 469 HOH HT 1 4.17000000e-01 1.00800 0
+ 1951 WATR 470 HOH OT 70 -8.34000000e-01 15.9994 0
1952 WATR 470 HOH HT 1 4.17000000e-01 1.00800 0
- 1953 WATR 471 HOH OT 70 -8.34000000e-01 15.9994 0
- 1954 WATR 471 HOH HT 1 4.17000000e-01 1.00800 0
+ 1953 WATR 470 HOH HT 1 4.17000000e-01 1.00800 0
+ 1954 WATR 471 HOH OT 70 -8.34000000e-01 15.9994 0
1955 WATR 471 HOH HT 1 4.17000000e-01 1.00800 0
- 1956 WATR 472 HOH OT 70 -8.34000000e-01 15.9994 0
- 1957 WATR 472 HOH HT 1 4.17000000e-01 1.00800 0
+ 1956 WATR 471 HOH HT 1 4.17000000e-01 1.00800 0
+ 1957 WATR 472 HOH OT 70 -8.34000000e-01 15.9994 0
1958 WATR 472 HOH HT 1 4.17000000e-01 1.00800 0
- 1959 WATR 473 HOH OT 70 -8.34000000e-01 15.9994 0
- 1960 WATR 473 HOH HT 1 4.17000000e-01 1.00800 0
+ 1959 WATR 472 HOH HT 1 4.17000000e-01 1.00800 0
+ 1960 WATR 473 HOH OT 70 -8.34000000e-01 15.9994 0
1961 WATR 473 HOH HT 1 4.17000000e-01 1.00800 0
- 1962 WATR 474 HOH OT 70 -8.34000000e-01 15.9994 0
- 1963 WATR 474 HOH HT 1 4.17000000e-01 1.00800 0
+ 1962 WATR 473 HOH HT 1 4.17000000e-01 1.00800 0
+ 1963 WATR 474 HOH OT 70 -8.34000000e-01 15.9994 0
1964 WATR 474 HOH HT 1 4.17000000e-01 1.00800 0
- 1965 SALT 16 ION SOD 90 1.00000000e+00 22.9897 0
+ 1965 WATR 474 HOH HT 1 4.17000000e-01 1.00800 0
1966 WATR 475 HOH OT 70 -8.34000000e-01 15.9994 0
1967 WATR 475 HOH HT 1 4.17000000e-01 1.00800 0
1968 WATR 475 HOH HT 1 4.17000000e-01 1.00800 0
@@ -2117,41 +2117,41 @@ PSF
516 508 517 518 517 519 517 520
521 525 521 523 521 522 523 524
525 527 525 526 528 529 528 530
- 531 532 531 533 535 536 535 537
- 538 539 538 540 542 543 542 544
- 545 546 545 547 548 549 548 550
- 551 552 551 553 554 555 554 556
- 557 558 557 559 560 561 560 562
- 563 564 563 565 566 567 566 568
- 569 570 569 571 572 573 572 574
- 575 576 575 577 578 579 578 580
- 581 582 581 583 584 585 584 586
- 587 588 587 589 590 591 590 592
- 593 594 593 595 596 597 596 598
- 599 600 599 601 602 603 602 604
- 605 606 605 607 608 609 608 610
- 611 612 611 613 614 615 614 616
- 617 618 617 619 620 621 620 622
- 623 624 623 625 626 627 626 628
- 629 630 629 631 632 633 632 634
- 635 636 635 637 638 639 638 640
- 641 642 641 643 644 645 644 646
- 647 648 647 649 650 651 650 652
- 653 654 653 655 656 657 656 658
- 659 660 659 661 662 663 662 664
- 665 666 665 667 668 669 668 670
- 671 672 671 673 674 675 674 676
- 677 678 677 679 680 681 680 682
- 683 684 683 685 686 687 686 688
- 689 690 689 691 692 693 692 694
- 695 696 695 697 698 699 698 700
- 701 702 701 703 704 705 704 706
- 707 708 707 709 710 711 710 712
- 713 714 713 715 716 717 716 718
- 719 720 719 721 722 723 722 724
- 725 726 725 727 728 729 728 730
- 731 732 731 733 734 735 734 736
- 737 738 737 739 740 741 740 742
+ 531 532 531 533 534 535 534 536
+ 537 538 537 539 540 541 540 542
+ 543 544 543 545 546 547 546 548
+ 549 550 549 551 552 553 552 554
+ 555 556 555 557 558 559 558 560
+ 561 562 561 563 564 565 564 566
+ 567 568 567 569 570 571 570 572
+ 574 575 574 576 577 578 577 579
+ 580 581 580 582 583 584 583 585
+ 586 587 586 588 589 590 589 591
+ 592 593 592 594 595 596 595 597
+ 598 599 598 600 601 602 601 603
+ 604 605 604 606 607 608 607 609
+ 610 611 610 612 613 614 613 615
+ 616 617 616 618 619 620 619 621
+ 622 623 622 624 625 626 625 627
+ 628 629 628 630 631 632 631 633
+ 634 635 634 636 637 638 637 639
+ 640 641 640 642 643 644 643 645
+ 646 647 646 648 649 650 649 651
+ 652 653 652 654 655 656 655 657
+ 658 659 658 660 661 662 661 663
+ 664 665 664 666 667 668 667 669
+ 670 671 670 672 673 674 673 675
+ 676 677 676 678 679 680 679 681
+ 682 683 682 684 685 686 685 687
+ 688 689 688 690 691 692 691 693
+ 694 695 694 696 697 698 697 699
+ 700 701 700 702 703 704 703 705
+ 706 707 706 708 709 710 709 711
+ 712 713 712 714 715 716 715 717
+ 718 719 718 720 721 722 721 723
+ 724 725 724 726 727 728 727 729
+ 730 731 730 732 733 734 733 735
+ 736 737 736 738 740 741 740 742
743 744 743 745 746 747 746 748
749 750 749 751 752 753 752 754
755 756 755 757 758 759 758 760
@@ -2159,201 +2159,201 @@ PSF
767 768 767 769 770 771 770 772
773 774 773 775 776 777 776 778
779 780 779 781 782 783 782 784
- 785 786 785 787 788 789 788 790
- 791 792 791 793 794 795 794 796
- 797 798 797 799 800 801 800 802
- 803 804 803 805 806 807 806 808
- 809 810 809 811 812 813 812 814
- 815 816 815 817 818 819 818 820
- 821 822 821 823 825 826 825 827
+ 786 787 786 788 789 790 789 791
+ 792 793 792 794 795 796 795 797
+ 798 799 798 800 801 802 801 803
+ 804 805 804 806 807 808 807 809
+ 810 811 810 812 813 814 813 815
+ 816 817 816 818 819 820 819 821
+ 822 823 822 824 825 826 825 827
828 829 828 830 831 832 831 833
834 835 834 836 837 838 837 839
840 841 840 842 843 844 843 845
846 847 846 848 849 850 849 851
852 853 852 854 855 856 855 857
- 859 860 859 861 862 863 862 864
- 866 867 866 868 869 870 869 871
- 872 873 872 874 875 876 875 877
- 878 879 878 880 881 882 881 883
- 884 885 884 886 887 888 887 889
- 890 891 890 892 893 894 893 895
- 896 897 896 898 899 900 899 901
- 902 903 902 904 905 906 905 907
- 908 909 908 910 911 912 911 913
- 914 915 914 916 917 918 917 919
- 920 921 920 922 923 924 923 925
- 926 927 926 928 929 930 929 931
- 932 933 932 934 935 936 935 937
- 938 939 938 940 941 942 941 943
- 944 945 944 946 947 948 947 949
- 950 951 950 952 953 954 953 955
- 956 957 956 958 959 960 959 961
- 962 963 962 964 965 966 965 967
- 968 969 968 970 971 972 971 973
- 974 975 974 976 977 978 977 979
- 980 981 980 982 983 984 983 985
- 986 987 986 988 989 990 989 991
- 992 993 992 994 995 996 995 997
- 998 999 998 1000 1001 1002 1001 1003
- 1004 1005 1004 1006 1007 1008 1007 1009
- 1011 1012 1011 1013 1014 1015 1014 1016
- 1017 1018 1017 1019 1020 1021 1020 1022
- 1023 1024 1023 1025 1026 1027 1026 1028
- 1029 1030 1029 1031 1032 1033 1032 1034
- 1035 1036 1035 1037 1038 1039 1038 1040
- 1041 1042 1041 1043 1044 1045 1044 1046
- 1047 1048 1047 1049 1050 1051 1050 1052
- 1053 1054 1053 1055 1056 1057 1056 1058
- 1059 1060 1059 1061 1063 1064 1063 1065
- 1066 1067 1066 1068 1069 1070 1069 1071
- 1072 1073 1072 1074 1075 1076 1075 1077
- 1078 1079 1078 1080 1081 1082 1081 1083
- 1084 1085 1084 1086 1087 1088 1087 1089
- 1090 1091 1090 1092 1093 1094 1093 1095
- 1096 1097 1096 1098 1099 1100 1099 1101
- 1102 1103 1102 1104 1105 1106 1105 1107
- 1108 1109 1108 1110 1111 1112 1111 1113
- 1114 1115 1114 1116 1117 1118 1117 1119
- 1120 1121 1120 1122 1123 1124 1123 1125
- 1126 1127 1126 1128 1129 1130 1129 1131
- 1132 1133 1132 1134 1135 1136 1135 1137
- 1138 1139 1138 1140 1141 1142 1141 1143
- 1144 1145 1144 1146 1147 1148 1147 1149
- 1150 1151 1150 1152 1153 1154 1153 1155
- 1156 1157 1156 1158 1159 1160 1159 1161
- 1162 1163 1162 1164 1165 1166 1165 1167
- 1168 1169 1168 1170 1171 1172 1171 1173
- 1174 1175 1174 1176 1177 1178 1177 1179
- 1180 1181 1180 1182 1183 1184 1183 1185
- 1186 1187 1186 1188 1189 1190 1189 1191
- 1192 1193 1192 1194 1195 1196 1195 1197
- 1198 1199 1198 1200 1201 1202 1201 1203
- 1204 1205 1204 1206 1207 1208 1207 1209
- 1210 1211 1210 1212 1213 1214 1213 1215
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- 1495 1494 1496 1498 1497 1499 1501 1500 1502
- 1504 1503 1505 1507 1506 1508 1510 1509 1511
- 1513 1512 1514 1516 1515 1517 1519 1518 1520
- 1522 1521 1523 1525 1524 1526 1528 1527 1529
- 1531 1530 1532 1534 1533 1535 1537 1536 1538
- 1540 1539 1541 1543 1542 1544 1546 1545 1547
- 1549 1548 1550 1552 1551 1553 1555 1554 1556
- 1558 1557 1559 1561 1560 1562 1564 1563 1565
- 1567 1566 1568 1570 1569 1571 1573 1572 1574
- 1576 1575 1577 1579 1578 1580 1582 1581 1583
- 1585 1584 1586 1588 1587 1589 1591 1590 1592
- 1594 1593 1595 1597 1596 1598 1600 1599 1601
- 1603 1602 1604 1606 1605 1607 1609 1608 1610
- 1612 1611 1613 1615 1614 1616 1618 1617 1619
- 1621 1620 1622 1624 1623 1625 1627 1626 1628
- 1630 1629 1631 1633 1632 1634 1636 1635 1637
- 1639 1638 1640 1642 1641 1643 1645 1644 1646
- 1648 1647 1649 1651 1650 1652 1654 1653 1655
- 1657 1656 1658 1660 1659 1661 1663 1662 1664
- 1666 1665 1667 1669 1668 1670 1672 1671 1673
- 1675 1674 1676 1678 1677 1679 1681 1680 1682
- 1684 1683 1685 1687 1686 1688 1690 1689 1691
- 1693 1692 1694 1696 1695 1697 1699 1698 1700
- 1702 1701 1703 1705 1704 1706 1708 1707 1709
- 1711 1710 1712 1714 1713 1715 1717 1716 1718
- 1720 1719 1721 1724 1723 1725 1727 1726 1728
- 1730 1729 1731 1733 1732 1734 1736 1735 1737
- 1739 1738 1740 1742 1741 1743 1745 1744 1746
- 1748 1747 1749 1751 1750 1752 1754 1753 1755
- 1757 1756 1758 1760 1759 1761 1763 1762 1764
- 1766 1765 1767 1769 1768 1770 1772 1771 1773
- 1775 1774 1776 1778 1777 1779 1781 1780 1782
- 1785 1784 1786 1788 1787 1789 1791 1790 1792
- 1794 1793 1795 1797 1796 1798 1800 1799 1801
- 1803 1802 1804 1806 1805 1807 1809 1808 1810
- 1813 1812 1814 1816 1815 1817 1819 1818 1820
- 1822 1821 1823 1825 1824 1826 1828 1827 1829
- 1831 1830 1832 1834 1833 1835 1837 1836 1838
- 1840 1839 1841 1843 1842 1844 1847 1846 1848
- 1850 1849 1851 1853 1852 1854 1856 1855 1857
- 1859 1858 1860 1862 1861 1863 1865 1864 1866
- 1868 1867 1869 1871 1870 1872 1874 1873 1875
- 1877 1876 1878 1880 1879 1881 1883 1882 1884
- 1886 1885 1887 1889 1888 1890 1892 1891 1893
- 1895 1894 1896 1898 1897 1899 1901 1900 1902
- 1904 1903 1905 1907 1906 1908 1910 1909 1911
- 1913 1912 1914 1917 1916 1918 1920 1919 1921
- 1923 1922 1924 1926 1925 1927 1929 1928 1930
- 1932 1931 1933 1936 1935 1937 1939 1938 1940
- 1942 1941 1943 1945 1944 1946 1948 1947 1949
- 1951 1950 1952 1954 1953 1955 1957 1956 1958
- 1960 1959 1961 1963 1962 1964 1967 1966 1968
+ 859 858 860 862 861 863 865 864 866
+ 868 867 869 871 870 872 874 873 875
+ 877 876 878 880 879 881 883 882 884
+ 886 885 887 889 888 890 892 891 893
+ 895 894 896 898 897 899 901 900 902
+ 904 903 905 907 906 908 910 909 911
+ 913 912 914 916 915 917 919 918 920
+ 922 921 923 925 924 926 928 927 929
+ 931 930 932 934 933 935 937 936 938
+ 940 939 941 943 942 944 946 945 947
+ 949 948 950 952 951 953 955 954 956
+ 958 957 959 961 960 962 964 963 965
+ 967 966 968 970 969 971 973 972 974
+ 976 975 977 979 978 980 982 981 983
+ 985 984 986 988 987 989 991 990 992
+ 994 993 995 997 996 998 1000 999 1001
+ 1003 1002 1004 1006 1005 1007 1009 1008 1010
+ 1012 1011 1013 1015 1014 1016 1018 1017 1019
+ 1021 1020 1022 1024 1023 1025 1027 1026 1028
+ 1030 1029 1031 1033 1032 1034 1036 1035 1037
+ 1039 1038 1040 1042 1041 1043 1046 1045 1047
+ 1049 1048 1050 1052 1051 1053 1055 1054 1056
+ 1058 1057 1059 1061 1060 1062 1064 1063 1065
+ 1067 1066 1068 1070 1069 1071 1073 1072 1074
+ 1076 1075 1077 1079 1078 1080 1082 1081 1083
+ 1085 1084 1086 1088 1087 1089 1091 1090 1092
+ 1094 1093 1095 1097 1096 1098 1100 1099 1101
+ 1103 1102 1104 1106 1105 1107 1109 1108 1110
+ 1112 1111 1113 1115 1114 1116 1118 1117 1119
+ 1121 1120 1122 1124 1123 1125 1127 1126 1128
+ 1130 1129 1131 1133 1132 1134 1136 1135 1137
+ 1139 1138 1140 1142 1141 1143 1145 1144 1146
+ 1148 1147 1149 1151 1150 1152 1154 1153 1155
+ 1157 1156 1158 1160 1159 1161 1163 1162 1164
+ 1166 1165 1167 1169 1168 1170 1172 1171 1173
+ 1175 1174 1176 1178 1177 1179 1181 1180 1182
+ 1184 1183 1185 1187 1186 1188 1190 1189 1191
+ 1193 1192 1194 1196 1195 1197 1199 1198 1200
+ 1202 1201 1203 1205 1204 1206 1208 1207 1209
+ 1211 1210 1212 1214 1213 1215 1217 1216 1218
+ 1220 1219 1221 1223 1222 1224 1226 1225 1227
+ 1229 1228 1230 1232 1231 1233 1235 1234 1236
+ 1238 1237 1239 1241 1240 1242 1244 1243 1245
+ 1247 1246 1248 1250 1249 1251 1253 1252 1254
+ 1256 1255 1257 1259 1258 1260 1262 1261 1263
+ 1266 1265 1267 1269 1268 1270 1272 1271 1273
+ 1275 1274 1276 1278 1277 1279 1281 1280 1282
+ 1284 1283 1285 1287 1286 1288 1290 1289 1291
+ 1293 1292 1294 1296 1295 1297 1299 1298 1300
+ 1302 1301 1303 1305 1304 1306 1308 1307 1309
+ 1311 1310 1312 1314 1313 1315 1317 1316 1318
+ 1320 1319 1321 1323 1322 1324 1326 1325 1327
+ 1329 1328 1330 1332 1331 1333 1336 1335 1337
+ 1339 1338 1340 1342 1341 1343 1345 1344 1346
+ 1348 1347 1349 1352 1351 1353 1355 1354 1356
+ 1358 1357 1359 1361 1360 1362 1364 1363 1365
+ 1367 1366 1368 1370 1369 1371 1373 1372 1374
+ 1376 1375 1377 1379 1378 1380 1382 1381 1383
+ 1387 1386 1388 1390 1389 1391 1393 1392 1394
+ 1396 1395 1397 1399 1398 1400 1402 1401 1403
+ 1405 1404 1406 1408 1407 1409 1411 1410 1412
+ 1414 1413 1415 1417 1416 1418 1420 1419 1421
+ 1423 1422 1424 1426 1425 1427 1431 1430 1432
+ 1434 1433 1435 1437 1436 1438 1440 1439 1441
+ 1443 1442 1444 1446 1445 1447 1449 1448 1450
+ 1452 1451 1453 1455 1454 1456 1458 1457 1459
+ 1461 1460 1462 1464 1463 1465 1467 1466 1468
+ 1470 1469 1471 1473 1472 1474 1476 1475 1477
+ 1479 1478 1480 1482 1481 1483 1485 1484 1486
+ 1488 1487 1489 1491 1490 1492 1494 1493 1495
+ 1497 1496 1498 1500 1499 1501 1503 1502 1504
+ 1506 1505 1507 1509 1508 1510 1512 1511 1513
+ 1515 1514 1516 1518 1517 1519 1521 1520 1522
+ 1525 1524 1526 1528 1527 1529 1531 1530 1532
+ 1534 1533 1535 1537 1536 1538 1540 1539 1541
+ 1543 1542 1544 1546 1545 1547 1549 1548 1550
+ 1552 1551 1553 1555 1554 1556 1558 1557 1559
+ 1561 1560 1562 1564 1563 1565 1567 1566 1568
+ 1570 1569 1571 1573 1572 1574 1576 1575 1577
+ 1579 1578 1580 1582 1581 1583 1585 1584 1586
+ 1588 1587 1589 1591 1590 1592 1594 1593 1595
+ 1597 1596 1598 1600 1599 1601 1603 1602 1604
+ 1606 1605 1607 1609 1608 1610 1612 1611 1613
+ 1615 1614 1616 1618 1617 1619 1621 1620 1622
+ 1624 1623 1625 1627 1626 1628 1630 1629 1631
+ 1633 1632 1634 1636 1635 1637 1639 1638 1640
+ 1642 1641 1643 1645 1644 1646 1648 1647 1649
+ 1651 1650 1652 1654 1653 1655 1657 1656 1658
+ 1660 1659 1661 1663 1662 1664 1666 1665 1667
+ 1669 1668 1670 1672 1671 1673 1675 1674 1676
+ 1678 1677 1679 1681 1680 1682 1684 1683 1685
+ 1687 1686 1688 1690 1689 1691 1693 1692 1694
+ 1696 1695 1697 1699 1698 1700 1702 1701 1703
+ 1705 1704 1706 1708 1707 1709 1711 1710 1712
+ 1714 1713 1715 1717 1716 1718 1720 1719 1721
+ 1723 1722 1724 1726 1725 1727 1729 1728 1730
+ 1732 1731 1733 1735 1734 1736 1738 1737 1739
+ 1741 1740 1742 1744 1743 1745 1747 1746 1748
+ 1750 1749 1751 1753 1752 1754 1756 1755 1757
+ 1759 1758 1760 1762 1761 1763 1765 1764 1766
+ 1768 1767 1769 1771 1770 1772 1774 1773 1775
+ 1777 1776 1778 1780 1779 1781 1783 1782 1784
+ 1786 1785 1787 1789 1788 1790 1792 1791 1793
+ 1795 1794 1796 1798 1797 1799 1801 1800 1802
+ 1805 1804 1806 1808 1807 1809 1811 1810 1812
+ 1814 1813 1815 1818 1817 1819 1821 1820 1822
+ 1824 1823 1825 1828 1827 1829 1831 1830 1832
+ 1834 1833 1835 1837 1836 1838 1840 1839 1841
+ 1843 1842 1844 1846 1845 1847 1849 1848 1850
+ 1852 1851 1853 1856 1855 1857 1859 1858 1860
+ 1862 1861 1863 1865 1864 1866 1868 1867 1869
+ 1871 1870 1872 1874 1873 1875 1877 1876 1878
+ 1880 1879 1881 1883 1882 1884 1886 1885 1887
+ 1889 1888 1890 1892 1891 1893 1895 1894 1896
+ 1898 1897 1899 1901 1900 1902 1904 1903 1905
+ 1907 1906 1908 1910 1909 1911 1913 1912 1914
+ 1916 1915 1917 1919 1918 1920 1922 1921 1923
+ 1925 1924 1926 1928 1927 1929 1931 1930 1932
+ 1934 1933 1935 1937 1936 1938 1940 1939 1941
+ 1943 1942 1944 1946 1945 1947 1949 1948 1950
+ 1952 1951 1953 1955 1954 1956 1958 1957 1959
+ 1961 1960 1962 1964 1963 1965 1967 1966 1968
1497 !NPHI: dihedrals
1 4 5 8 1 4 5 6
diff --git a/tools/ch2lmp/example/1ac7_pared.pdb b/tools/ch2lmp/example/1ac7_pared.pdb
old mode 100755
new mode 100644
diff --git a/tools/ch2lmp/example/par_all27_na.prm b/tools/ch2lmp/example/par_all27_na.prm
old mode 100755
new mode 100644
diff --git a/tools/ch2lmp/example/top_all27_na.rtf b/tools/ch2lmp/example/top_all27_na.rtf
old mode 100755
new mode 100644
diff --git a/tools/ch2lmp/lammps2pdb.pl b/tools/ch2lmp/lammps2pdb.pl
old mode 100644
new mode 100755
index 8bf636ea4fafc2c197d774165bfe5f96ae7fd0ca..f1180023a566e2a748a2259237bdf0b4feed6d88
--- a/tools/ch2lmp/lammps2pdb.pl
+++ b/tools/ch2lmp/lammps2pdb.pl
@@ -8,9 +8,9 @@
# conjunction with vmd
#
# Notes: Copyright by author for Sandia National Laboratories
-# 20040903 Conception date of v1.0: rudimentary script for collagen
+# 20040903 Conception date of v1.0: rudimentary script for collagen
# project.
-# 20050423 Conception date of v2.0:
+# 20050423 Conception date of v2.0:
# - changed data access through indexing data directly on disk;
# - added all command line options
# 20050425 Corrected focussing to use a target molecule's moment of
@@ -22,21 +22,21 @@
# the data stream.
# subroutines
-
+
sub test
{
my $name = shift(@_);
-
+
printf("Error: file %s not found\n", $name) if (!scalar(stat($name)));
return !scalar(stat($name));
}
-
+
sub initialize
{
my $k = 0;
- my @options = ("-help", "-nstart", "-dn", "-cut", "-repair",
- "-units", "-quiet", "-nodetect", "-data", "-pbc",
+ my @options = ("-help", "-nstart", "-dn", "-cut", "-repair",
+ "-units", "-quiet", "-nodetect", "-data", "-pbc",
"-focus", "-center", "-exclude");
my @remarks = ("display this message",
"starting frame [-1]",
@@ -61,7 +61,7 @@
"* Expected files in current directory: project.data, project.dump",
"* Generated output files: project_trj.psf, project_trj.pdb",
"* Uses project_ctrl.psf if available");
-
+
$program = "lammps2pdb";
$version = "2.2.5";
@@ -96,7 +96,7 @@
$info = $switch ? 0 : 1 if (!$k--);
$detect = $switch ? 0 : 1 if (!$k--);
$data_name = $arg[1] if (!$k--);
- if (!$k--) {
+ if (!$k--) {
if ($switch) { $pbc{ALL} = 1; }
else { foreach (split(",",$arg[1])) { $pbc{uc($_)} = 1; }}}
if (!$k--) { foreach (split(",",$arg[1])) { $focus{uc($_)} = uc($_);}}
@@ -120,7 +120,7 @@
printf("\n");
exit(-1);
}
- printf("%s v%s (c)%s\n\n", $program, $version, $year) if ($info);
+ printf("%s v%s (c)%s\n\n", $program, $version, $year) if ($info);
$data_name = $project.".data" if ($data_name eq "");
$traject_name = $project.".dump";
@@ -133,7 +133,7 @@
my $flag = test($data_name);
printf("Conversion aborted\n\n") if ($flag);
exit(-1) if ($flag);
-
+
# data input
create_atom_ids();
@@ -145,9 +145,9 @@
open(PSF, ">".$psf_name) if (!$psf_ctrl);
open(PDB, ">".$pdb_name);
-
+
# align center with focus
-
+
%center = %focus if (scalar(%focus));
}
@@ -166,24 +166,24 @@
return @_;
}
-
+
sub V_Add # V_Add(@a, @b) = @a + @b;
{
return (@_[0]+@_[3], @_[1]+@_[4], @_[2]+@_[5]);
}
-
-
+
+
sub V_Subtr # V_Subtr(@a, @b) = @a - @b;
{
return (@_[0]-@_[3], @_[1]-@_[4], @_[2]-@_[5]);
}
-
-
+
+
sub V_Dot # V_Dot(@a, @b) = @a . @b;
{
return (@_[0]*@_[3]+@_[1]*@_[4]+@_[2]*@_[5]);
}
-
+
sub V_Cross # V_Cross(@a, @b) = @a x @b;
{
@@ -191,7 +191,7 @@
@_[0]*@_[4]-@_[1]*@_[3]);
}
-
+
sub V_Mult # V_Mult($f, @a) = $f * @a;
{
return (@_[0]*@_[1], @_[0]*@_[2], @_[0]*@_[3]);
@@ -203,11 +203,11 @@
return V_Mult(1/sqrt(V_Dot(@_[0,1,2],@_[0,1,2])), @_[0,1,2]);
}
-
+
sub pbc # periodic -0.5*L <= x < 0.5*L
{
my $x = @_[0]/@_[1]+0.5;
-
+
return @_[0]-@_[1]*($x<0 ? int($x)-1 : int($x));
}
@@ -216,8 +216,8 @@
{
return (pbc(@_[0], @_[3]), pbc(@_[1], @_[4]), pbc(@_[2], @_[5]));
}
-
-
+
+
sub V_Cmp # V_Cmp(abs(@a), abs(@b))
{
return -1 if (abs($_[0])<abs($_[3]));
@@ -228,12 +228,12 @@
return 1 if (abs($_[2])>abs($_[5]));
return 0;
}
-
-
+
+
sub V_Sort # sort on descending absolute
{ # value
my @v = @_;
-
+
for (my $i=0; $i<scalar(@v)-3; $i+=3)
{
for (my $j=$i+3; $j<scalar(@v); $j+=3)
@@ -247,13 +247,13 @@
return @v;
}
-
+
# Matrix routines
sub M_String # M_String(@A)
{
my @M;
-
+
for (my $i=0; $i<3; ++$i) { push(@M, V_String(splice(@_, 0, 3))); }
return "{".join(", ", @M)."}";
}
@@ -270,7 +270,7 @@
return (@_[0], @_[3], @_[6], @_[1], @_[4], @_[7], @_[2], @_[5], @_[8]);
}
-
+
sub M_Dot # M_Dot(@A, @B) = @A . @B;
{
return (
@@ -288,7 +288,7 @@
return V_Dot(@_[0,1,2], V_Cross(@_[3,4,5], @_[6,7,8]));
}
-
+
sub M_Mult # M_Mult($a, @A) = $a * @A
{
return (
@@ -296,12 +296,12 @@
@_[0]*@_[4], @_[0]*@_[5], @_[0]*@_[6],
@_[0]*@_[7], @_[0]*@_[8], @_[0]*@_[9]);
}
-
+
sub M_Unit { return (1,0,0, 0,1,0, 0,0,1); }
sub PI { return 4*atan2(1,1); }
-
+
sub M_Rotate # M_Rotate($n, $alpha) = @R_$n;
{ # vmd convention
my $n = shift(@_);
@@ -316,7 +316,7 @@
return ($cos,-$sin,0, $sin,$cos,0, 0,0,1) if ($n==2); # around z-axis
return M_Unit();
}
-
+
sub M_RotateNormal # returns R.(1,0,0) = @a/|@a|;
{
@@ -324,7 +324,7 @@
my @n = V_Mult(1.0/sqrt(V_Dot(@_[0,1,2], @_)), @_);
my $sina = $n[1]<0 ? -sqrt($n[1]*$n[1]+$n[2]*$n[2]) :
sqrt($n[1]*$n[1]+$n[2]*$n[2]);
-
+
if ($sina)
{
my $cosa = $n[0];
@@ -337,8 +337,8 @@
}
return @R;
}
-
-
+
+
sub MV_Dot # MV_Dot(@A, @b) = @A . @b;
{
return (V_Dot(@_[0,1,2], @_[9,10,11]), V_Dot(@_[3,4,5], @_[9,10,11]),
@@ -374,14 +374,14 @@
{
return (@_[0]+@_[2], @_[1]+@_[3]);
}
-
-
+
+
sub C_Subtr # z = z1 - z2
{
return (@_[0]-@_[2], @_[1]-@_[3]);
}
-
-
+
+
sub C_Mult # z = z1 * z2
{
return (@_[0]*@_[2]-@_[1]*@_[3], @_[0]*@_[3]+@_[2]*@_[1]);
@@ -404,7 +404,7 @@
return ($r*cos($a), $r*sin($a));
}
-
+
sub C_Correct
{
return (abs(@_[0])<1e-14 ? 0 : @_[0], abs(@_[1])<1e-14 ? 0 : @_[1]);
@@ -422,7 +422,7 @@
return (@_[0], -@_[1]);
}
-
+
sub C_String
{
return @_[0]." + ".@_[1]."i";
@@ -434,12 +434,12 @@
sub R_Sort
{
my $n = scalar(@_);
-
+
for (my $i=0; $i<$n-2; $i+=2)
{
for (my $j=$i+2; $j<$n; $j+=2)
{
- if (@_[$j]<@_[$i]) {
+ if (@_[$j]<@_[$i]) {
my @t = @_[$i,$i+1]; @_[$i,$i+1] = @_[$j,$j+1]; @_[$j,$j+1] = @t; }
else { if ((@_[$j]==@_[$i])&&(@_[$j+1]<@_[$i+1])) {
my @t = @_[$i,$i+1]; @_[$i,$i+1] = @_[$j,$j+1]; @_[$j,$j+1] = @t; } }
@@ -448,7 +448,7 @@
return @_;
}
-
+
sub R_First
{
return (0, 0) if (abs(@_[1])<1e-14);
@@ -476,16 +476,16 @@
my @B = (0, 0);
my @z1 = (0.5, 0.5*sqrt(3));
my @z2 = C_Conj(@z1);
-
+
if (abs($f1)<1e-3) { # limit f1 -> 0
@A = ($f2<0 ? abs(2*$f2)**(1/3) : 0, 0); }
- else {
+ else {
if (abs($f2)<1e-14) { # limit f2 -> 0
my $f = sqrt(abs($f1))/$c3;
@A = $f1<0 ? (-$f*$z1[1], 0.5*$f) : ($f, 0);
@B = $f1<0 ? (-$A[0], $A[1]) : ($f, 0); }
else {
- @B = C_Pow(C_Add(($f2, 0),
+ @B = C_Pow(C_Add(($f2, 0),
C_Pow(($f1*$f1*$f1+$f2*$f2, 0), 1/2)), 1/3);
@A = C_Div(($f1/$c3, 0), @B);
@B = ($B[0]/$c3, $B[1]/$c3); } }
@@ -503,21 +503,21 @@
my $input = shift;
my $dlines = shift;
my $read;
-
+
while ($dlines--) { $read = <$input>; }
return $read;
}
-
+
sub rewind_read
{
my $input = shift;
-
+
seek($input, 0, SEEK_SET);
}
-# create crossreference tables
+# create crossreference tables
sub create_psf_index # make an index of id
{ # locations
@@ -538,13 +538,13 @@
}
}
-
+
sub psf_goto # goto $ident in <PSF>
{
create_psf_index() if (!scalar(%PSFIndex));
my $id = shift(@_);
my @n = split(" ", $PSFIndex{$id});
-
+
@PSFBuffer = ();
if (!scalar(@n))
{
@@ -571,7 +571,7 @@
my $id;
my %hash;
my %size;
-
+
foreach ((masses,atoms,bonds,angles,dihedrals,impropers)) { $hash{$_}=$_; }
open(DATA, "<".$data_name);
for (my $i=0; $i<2; ++$i) { my $tmp = <DATA>; } # skip first two lines
@@ -604,7 +604,7 @@
}
}
-
+
sub goto_data
{
create_data_index() if (!scalar(%DATAIndex));
@@ -623,7 +623,7 @@
# create atom and residue identifiers
-
+
sub create_names
{
return if (scalar(@names));
@@ -636,7 +636,7 @@
my @letter = ("X", "Y", "Z", "P", "Q", "R", "S", "A", "B", "C");
my $k = 0;
my %atom;
-
+
$names[0] = "";
foreach (@mass) { $atom{$_} = shift(@name); }
for (my $i=1; $i<=$n; ++$i)
@@ -658,7 +658,7 @@
my @data = @_;
my $p = $data[1]." ".$data[2];
my $k;
-
+
for ($k=0; ($k<scalar(@data))&&(substr($data[$k],0,1) ne "#"); ++$k) { }
@data = splice(@data, $k-($k<8 ? 3 : 6), $k<8 ? 3 : 6);
foreach (@L)
@@ -669,8 +669,8 @@
}
return $p;
}
-
-
+
+
sub create_atom_ids
{
my $res = 0;
@@ -682,7 +682,7 @@
my $id;
my %link;
my %special;
-
+
printf("Info: creating atom ids\n") if ($info);
create_names();
$n = goto_data(atoms);
@@ -696,8 +696,8 @@
{
if ((($tmp = $link{$id = join(" ", sort(split(" ", $id)))}) eq "")&&
(($tmp = $special{$id}) eq ""))
- {
- $link{$id} =
+ {
+ $link{$id} =
$tmp = "R".($res<10 ? "0" : "").$res;
++$res;
}
@@ -712,12 +712,12 @@
}
}
-
+
sub crossover
{
my @d = V_Subtr((split(" ", $position[@_[0]]))[0,1,2],
(split(" ", $position[@_[1]]))[0,1,2]);
-
+
$d[0] /= $l[3];
$d[1] /= $l[4];
$d[2] /= $l[5];
@@ -744,7 +744,7 @@
{
my $n = scalar(@bonds);
my $i = 0;
-
+
printf("Info: deleting excluded bonds\n") if ($info);
while ($i<$n)
{
@@ -754,12 +754,12 @@
else { ++$i; }
}
}
-
-
+
+
sub create_bonds
{
my $n = goto_data(bonds);
-
+
printf("Info: creating bonds\n") if ($info);
for (my $i=0; $i<$n; ++$i)
{
@@ -779,20 +779,20 @@
while (!eof(TRAJECT)&&(substr(lc(join(" ", split(" ", <TRAJECT>))),
0,length($subject)) ne $subject)) {}
}
-
-
+
+
sub read_traject
{
my @box;
my @l;
-
+
advance_traject("timestep");
my $timestep = (split(" ", <TRAJECT>))[0];
advance_traject("number of atoms");
my $n = (split(" ", <TRAJECT>))[0];
advance_traject("box bounds");
for (my $i=0; $i<3; ++$i)
- {
+ {
my @data = split(" ", <TRAJECT>);
$box[$i] = $data[0]; # box edge
$l[$i] = $data[1]-$data[0]; # box length
@@ -806,9 +806,9 @@
return ($timestep, $n, @box, @l);
}
-
+
# pdb format
-
+
sub eigen_vector # eigen_vector(@A, $l)
{
my @A = splice(@_,0,9);
@@ -826,8 +826,8 @@
return (0,0,1) if ($A[8]==1);
return (0,0,0);
}
-
-
+
+
sub pdb_inertia
{
my @s = (
@@ -852,13 +852,13 @@
M_Transpose(M_RotateNormal(MV_Dot(@A,@b))));
return M_Dot(@B, @A);
}
-
-
+
+
sub pdb_focus # using moment of inertia
{
my @R = pdb_inertia(@_);
-
+
printf("Info: focussing\n") if ($info);
foreach (@position)
{
@@ -867,7 +867,7 @@
}
}
-
+
sub pdb_center
{
my @c = splice(@_, 0, 3);
@@ -881,7 +881,7 @@
}
}
-
+
sub pdb_pbc
{
printf("Info: applying periodicity\n") if ($info);
@@ -909,7 +909,7 @@
}
}
-
+
sub pdb_positions
{
my @m = (0,0,0,0,0,0,0,0,0);
@@ -918,7 +918,7 @@
my $mass;
my @p;
my $d;
-
+
foreach (@traject)
{
my @arg = split(" ");
@@ -974,7 +974,7 @@
printf(PDB "%-11.11s", "P 1");
printf(PDB "%3.3s\n", "1");
}
-
+
sub pdb_atoms
{
@@ -998,15 +998,15 @@
foreach (@p) { $_ = 0 if (abs($_)<1e-4); }
printf(PDB "ATOM "); # pdb command
printf(PDB "%6.6s ", ++$n); # atom number
- printf(PDB "%-3.3s ",
+ printf(PDB "%-3.3s ",
$psf_ctrl ? $psf[4] : $names[$p[4]]); # atom name
- printf(PDB "%-3.3s ",
+ printf(PDB "%-3.3s ",
$psf_ctrl ? $psf[3] : $residue[$nres]); # residue name
printf(PDB "%5.5s ", $nres); # residue number
printf(PDB "%3.3s ", ""); # empty placeholder
printf(PDB "%7.7s %7.7s %7.7s ",
$p[0], $p[1], $p[2]); # positions
- printf(PDB "%5.5s %5.5s %4.4s ",
+ printf(PDB "%5.5s %5.5s %4.4s ",
"1.00", "0.00", ""); # trailing variables
printf(PDB "%-4.4s\n",
$psf_ctrl ? $psf[1] : $cluster[$nres]); # cluster name
@@ -1015,7 +1015,7 @@
};
printf(PDB "END\n");
}
-
+
sub pdb_timestep
{
@@ -1045,7 +1045,7 @@
my $l = 0;
my $k = 0;
my @extra;
-
+
for (my $i=0; $i<$n; ++$i)
{
my @arg = split(" ", <DATA>);
@@ -1073,13 +1073,13 @@
}
printf(PSF "\n");
}
-
+
sub psf_bonds
{
my $npairs = 0;
-
- delete_exclude() if (scalar(%exclude)>0);
+
+ delete_exclude() if (scalar(%exclude)>0);
delete_crossovers() if ($cut);
printf(PSF "%8.8s !NBOND\n", scalar(@bonds));
foreach (@bonds)
@@ -1098,7 +1098,7 @@
initialize();
# create .pdb file
-
+
$ncurrent = -1;
while ($traject_flag&&!eof(TRAJECT))
{
@@ -1134,4 +1134,4 @@
close(TRAJECT);
close(DATA);
-
+
diff --git a/tools/ch2lmp/other/in_mkpdb b/tools/ch2lmp/other/in_mkpdb
old mode 100755
new mode 100644